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Home / Undergraduate Research Highlights / Chemistry
 
Chemistry Highlights
Total Listing: 338    (Listed by the order of record adding time, Descending)
( 1 )   Recorded at: 1/6/2009      
Title Incomplete combustion of hydrogen: trapping the hydroxyl radical
Journal Journal of Chemical Education, 2007;84:1668-1670, Mattson B, Hoette T
Description The combustion of hydrogen in air is quite complex with at least 28 mechanistic steps and twelve reaction species. Most of the species involved are radicals (having unpaired electrons) in nature. Among the various species generated, a few are stable, including hydrogen peroxide. In a normal hydrogen flame, the hydrogen peroxide goes on to further oxidation resulting in water. In this classroom demonstration, a hydrogen flame is played across the face of an ice cube and the combustion is quenched in an incomplete state. The solution that results contains aqueous hydrogen peroxide that can be tested with two simple chemical tests
Faculty
Student
 
( 2 )   Recorded at: 1/6/2009      
Title Effect of caffeine ingestion on one-repetition maximum muscular strength
Journal Eur J Appl Physiol, 2008;102:127-132, Astorino TA, Rohmann RL, Firth K
Description The effect of acute caffeine intake on muscular strength was determined in strength-trained men. Using a randomized, double-blind, crossover design, men ingested caffeine (6 mg/kg bw) or placebo 1 hr before maximal bench press and leg press exercise. Results showed no effect of acute caffeine intake on muscular strength or endurance, thus questioning the ingestion of caffeine to enhance resistance exercise
Faculty
Student Riana Rohmann and Kelli Firth participated in this project as research assistants in the Kinesiology Program. Kelli is a new Mom and intending on pursuing graduate study in the future
Fund There was no funding for this project. Riana is currently employed and seeking graduate study
 
( 3 )   Recorded at: 1/6/2009      
Title Impact of the oxidized guanine lesion spiroiminodihydantoin on the conformation and thermodynamic stability of a 15-mer DNA duplex
Journal Biochemistry, 2008;47:2584-2591, Chinyengetere F, Jamieson ER
Description In this work, the thermodynamic effect of the hyperoxidized guanine base lesion, spiroiminodihydantoin (Sp), on DNA helix formation was examined by using both differential scanning calorimetry and van’t Hoff analysis of UV melting spectroscopic data. Formation of oxidized base lesions is implicated in aging, neurological disorders, mutagenesis and carcinogenesis. This work provides the first detailed thermodynamic analysis of the Sp lesion, allowing us to assess the energetic impact of oxidizing guanine to Sp and gain insight into how this might affect biological processes such as DNA damage recognition and repair
Faculty Elizabeth Jamieson is an assistant professor of chemistry
Student Fadzai Chinyengetere, a chemistry major, first participated in this research through Smith’s Summer Undergraduate Research Fellows (SURF) program in 2006. She chose to continue the work for her senior honors thesis (academic year 2006-2007) and is currently an MD/PhD student at Dartmouth
Fund Funding for this work was provided by Smith College (Tomlinson Fund and Howard Hughes Medical Institute Fellowship to FC; Start-up funds and CFCD Awards to ERJ)
 
( 4 )   Recorded at: 1/6/2009      
Title Caffeine-induced changes in cardiovascular function during resistance training
Journal Int J Sport Nutr Exerc Metab, 2007;17:468-477, Astorino TA, Rohmann RL, Firth K, Kelly S
Description The effect of acute caffeine intake on blood pressure and heart rate during intense resistance training was examined. Strength-trained men completed one-repetition maximum testing on the bench press and leg press, immediately followed by repetitions to fatigue at 60 % of their one-repetition maximum. Heart rate and blood pressure were measured immediately after exercise by telemetry and manual sphygmomanometry. Data revealed significant increases in heart rate and blood pressure with caffeine versus placebo. Caffeine ingestion should be monitored in individuals who complete rigorous resistance training who are hypertensive or at risk for hypertension
Faculty
Student Kelli is a new Mom and intending on pursuing graduate study in the future. Sondra is pondering graduate study as well. Riana is currently employed and seeking graduate study. All students participated in this project as research assistants
Fund There was no funding for this project
 
( 5 )   Recorded at: 1/6/2009      
Title Structure and solvent properties of microemulsions
Journal J Chem Ed, 2008;85:263-265, Katz CA, Calzola ZJ, Mbindyo JKN
Description The effectiveness of a microemulsion containing sodium dodecyl sulfonate surfactant in the extraction of a model hydrophobic organic pollutant adsorbed on soil was compared to that of dodecane Although the microemulsion contained 20% water, it was a better extraction solvent. The results suggest that microemulsions, which are “green” solvents, can substitute environmentally unfriendly organic solvents in extraction of adsorbed pollutants for remediation
Faculty Jeremiah K.N. Mbindyo is an Associate Professor of Chemistry
Student Civia A. Katz, a chemistry major, did the research for independent study credit and wrote a departmental honors thesis based in part on the work. Zachary Calzola is an environmental chemistry senior and participated in the research for independent study credit. Civia is currently pursuing Ph.D. studies in chemistry at the University of Maryland, Baltimore County (UMBC)
Fund The research was supported in part by a faculty research grant and a Niemeyer-Hodgson research grant to Civia A. Katz.
 
( 6 )   Recorded at: 1/6/2009      
Title Lead contamination of inexpensive plastic jewelry
Journal Sci Total Environ, 2008;393:348-350, Yost, J, Weidenhamer JD
Description This study reports the analysis of the surface coatings of plastic jewelry items for lead contamination. Nine of 109 samples tested were found to have lead-based coatings containing 3.5-23% lead by weight, far in excess of the US standard of 0.06% lead by weight for lead paint. These results show that plastic jewelry items, which have received little regulatory attention for lead content, should not be overlooked by consumer protection agencies
Faculty Jeff Weidenhamer is professor of Chemistry at Ashland University
Student Jamie Yost is a biology/environmental science major who graduated in May 2008. Ms. Yost carried out the work as an independent research project during spring 2007
Fund The project was supported through internal department funds. Jamie is currently a candidate for a job with the US Environmental Protection Agency
 
( 7 )   Recorded at: 1/6/2009      
Title Stucture/function of the inhibition of human 3ß-hydroxysteroid dehydrogenase type 1 and type 2 by trilostane
Journal J Steroid Biochem Mol Biol., 2008;in press, Thomas JL, Mack VL, Glow JA, Moshkelani D, Terrell JR, Bucholtz KM
Description The human type 1 (placenta, breast tumors) and type 2 (gonads, adrenals) isoforms of 3ß-hydroxysteroid dehydrogenase/isomerase (3ß-HSD) are key enzymes in biosynthesis of all active steroid hormones. Human 3ß-HSD1 is a critical enzyme in the conversion of DHEA to estradiol in breast tumors. The goals of this project were to evaluate the role of the 2a-cyano group on trilostane (2a-cyano-4a,5a-epoxy-17ß-ol-androstane-3-one) and determine through mutagenesis which amino acids may be critical for the specificity of trilostane for 3ß-HSD1 in breast tumors
Faculty Kevin Bucholtz is an Assistant Professor of Chemistry in the College of Liberal Arts and James Thomas is an Associate Professor of Pharmacology in the School of Medicine
Student Delaram Moshkelani participated in the project as part of her chemistry major senior thesis and is now in the Pharmaceutical Sciences Ph. D. program at the Mercer University College of Pharmacy and Health Sciences. Ross Terrell participated as an independent study and is a rising sophomore Biochemistry Molecular Biology major
Fund The research was support by NIH grant CA114717 (JLT) and a Mercer University College of Liberal Arts Seed Grant
 
( 8 )   Recorded at: 1/6/2009      
Title Structural studies of racemates and quasiracemates. chloro, bromo, and mMethyl adducts of 2-phenoxypropionic acid
Journal Crys Growth Des, 2008;8:612-619, Lineberry AM, Benjamin ET, Davis RE, Kassel WS, Wheeler KA
Description In this work, we synthesized and assessed the crystal structures of a homologous series of racemic and quasiracemic compounds. The investigated quasiracemates, materials that consist of two chemically unique compounds that differ in handedness, crystallize to give supramolecular assemblies that mimic the centrosymmetric alignment of the racemic counterparts. The structural themes of isostructurality (both local and crystal structure patterns) and concomitant polymorphism in this study underscore the inherent importance of molecular shape as a contributor to molecular recognition processes
Faculty Kraig Wheeler is an associate professor of chemistry
Student Aaron Lineberry participated in the project as a senior and is currently pursuing his PhD in chemistry at the University of Akron
Fund The research was supported by the American Chemical Society Petroleum Research Fund, the National Science Foundation, and Eastern Illinois University
 
( 9 )   Recorded at: 1/6/2009      
Title Detailed spectroscopic, thermodynamic and kinetic characterization of nickel(II) complexes with 2,2'-bipyridine and 1,10-phenanthroline attained via equilibrium-restricted factor analysis
Journal Inorg Chem, 2008;47:656-662, Bediako DK, DeVries MJ, DeJong NA, Heeringa LP, Vander Griend DA
Description Using a computer program that we wrote called Sivvu, the molar absorptivity curves of the mono and bis nickel(II) complexes of 2,2’-bipyridine and 1,10-phenanthroline have been deduced from the composite absorbance data of a series of equilibrium solutions in methanol using equilibrium-restricted factor analysis, a mathematical technique for extracting spectral and thermodynamic information of components in equilibrated solutions. The solutions achieve equilibrium slowly (t½ ˜ 100 min) as the amounts of the tris and methanolato complexes are initially in excess. The relative formation constants at 293 K have been determined with a high degree of accuracy, especially for the bipyridine complexes: log(K1/K2) = 0.340(4) and log(K2/K3) = 1.091(6). Solubility limitations compromised the accuracy of the thermodynamic results for the phenanthroline complexes
Faculty Douglas Vander Griend is an assistant professor in the department of chemistry & biochemistry
Student Kwabena Bediako, a chemistry major, participated in the research over 2 summers and throughout his sophomore year in between. He is now graduated and plans to start graduate school in the fall of 2009. Mike DeVries participated during the summers after his sophomore and junior years, and is presently in the doctoral program for chemistry at Northwestern University. Lee Heeringa, chemistry major, participated in the research during the summer after his junior year and will attend medical school at Michigan State this fall. Nate Dejong, math major, participated during the summer after his freshman year, and is currently still enrolled at Calvin
Fund The research was supported by a Research Corp. Mike and Nate both received Jack & Lois Kuiper Fellowships through the science division
 
( 10 )   Recorded at: 1/6/2009      
Title Concerted solvent processes for common sulfonyl chloride precursors used in the synthesis of sulfonamide-based drugs
Journal Int J Mol Sci, 2008;9:914-925, D’Souza MJ, Yaakoubd L, Mlynarski SL, Kevill DN
Description Sulfonyl chlorides find extensive use in the development of new pharmaceuticals. For example, they have been reacted with a wide variety of amines to give biologically active sulfonamides. Other potentially important uses include the development of protein farnesyltranferase (FTase) inhibitors (FTIs) for use as antimalarials and of inhibitors of NS5B polymerase to target the hepatitis C virus. From the current publication, the establishment of a mechanism for the formation of derivatives of 2-thiophenesulfonyl and phenylmethanesulfonyl chlorides by the attack of a nucleophilic species will be helpful in the selection of the optimum reaction conditions
Faculty Malcolm J. D’Souza is professor of chemistry at Wesley College. Dennis N. Kevill is distinguished research professor emeritus of chemistry & biochemistry at Northern Illinois University
Student Lamia Yaakoubd (B.S. Biology; 2006) and Stacey L. Mlynarski (B.S. Biological Chemistry; 2008) completed this research project at Wesley College as part of an NIH-NCRR-INBRE Directed Research Program in Chemistry. Lamia is currently employed in industry in the United Arab Emirates, and Stacey is employed as an associate scientist at Quest Pharmaceutical Services in Newark, DE
Fund This research was supported through the NIH-NCRR-INBRE grant number 2 P2O RR016472-07
 
( 11 )   Recorded at: 1/6/2009      
Title The thread & cut method: syntheses of molecular knot precursors
Journal Eur J Org Chem, 2008;3065-3068, Fenlon EE, Ito BR
Description A novel synthetic approach to molecular knots is described. This method may allow access to smaller and more complex knots. Two knot precursors, 1a and 1b, are efficiently prepared via convergent six-step syntheses that utilize Fréchet-type etherifications, alkyne-azide click cycloadditions, and bis-macrolactonizations
Faculty Edward E. Fenlon is an assistant professor of chemistry
Student Brandon R. Ito, a chemistry major, participated in the research for a summer and as an independent study for credit during his senior year. The research received external support from Research Corporation and ACS Project SEED and support from F&M via the Pepinsky Scholars Program, a Hackman Faculty Award, and a Leser grant awarded to Brandon. Brandon will spend a year teaching in English in Japan as part of the Japan Exchange and Teaching Program (JET). He will then start chemistry graduate school at the University of Illinois (Urbana-Champaign) in fall of 2009
 
( 12 )   Recorded at: 1/6/2009      
Title Modifying the glycosidic linkage in digitoxin analogs provides selective cytotoxins
Journal Bioorg Med Chem Lett, 2008;18:670-673, Langenhan JM, Engle JE, Slevin LK, Fay LR, Lucker RW, Smith KR, Endo MM
Description The optimization of glycosylated drugs usually involves modification of aglycons and attached sugars. Tailoring the structure of the glycosidic linkage between aglycons and attached sugars represents a third distinct optimization strategy that has received little attention. We hypothesized that such structural variants would provide compounds with enhanced activities and employed the cardiac glycoside digitoxin as a model platform. Using a reaction called oxyamine glycosylation to generate different glycosidic linkages, we identified potent and selective tumor cytotoxins; cytotoxicity was dependent on the structure of the glycosidic linkage
Faculty Joseph Langenhan is an assistant professor of chemistry
Student Jeffery Engle, Lauren Slevin, Lindsay Fay, Ryan Lucker, Kyle Smith, and Matthew Endo are Seattle University undergraduates that made important contributions to the project. Graduate school bound students are: Jeffery (University of Oregon), Lauren (will apply in 2008), Lindsay (University of Wisconsin), and Matthew (will apply in 2008). Kyle is applying for medical school, and Ryan is working locally as a lab technician
Fund The research was supported by Seattle University, the Camille and Henry Dreyfus Foundation, and the Research Corporation
 
( 13 )   Recorded at: 12/29/2008      
Title New ground for organic catalysis: A ring-opening polymerization approach to hydrogel
Journal Biomacromolecules, 2007;8:3294-3297, Nederberg F, Trang V, Pratt RC, Mason AF, Frank CW, Waymouth RM, Hedrick JL
Description For the summer of 2007, Vivian Trang joined CPIMA scientists at Stanford and IBM working to develop novel synthesis methods to control the porosity of hydrogels. These biomaterials have distinctive properties that make them ideal scaffolds for cell growth. The hydrogels that Vivian and her colleagues developed may become cell scaffolds in future regenerative medicine therapies. She used an organocatalytic living polymerization method to make the systems. Cyclic carbonate functional macromolecules were ring-opened using an alcoholic initiator in the presence of an organic catalyst. A model reaction for the cross-linking identified the critical monomer concentration dependent reaction regimes, and enhanced kinetic control was demonstrated by introducing a co-monomer that facilitated near quantitative conversion of monomer to polymer (>96%)
Faculty Professor Curtis Frank is in the department of Chemical Engineering, Professor Robert Waymouth is in the department of Chemistry at Stanford, and Dr. James Hedrick is a Research Staff Member at IBM Almaden Research Center
Student Vivian is a currently a junior Chemical Biology major at the University of California, Berkeley
Fund Vivian was supported by an REU grant to the Center on Polymer Interfaces and Macromolecular Assemblies, an NSF-sponsored partnership among Stanford University, IBM Almaden Research Center, the University of California Davis and the University of California Berkeley
 
( 14 )   Recorded at: 12/29/2008      
Title Matrix isolation infrared observation of the HxSi(N2)y (x = 0, 1, 2 and y = 1, 2) transient species using a 121 nm vacuum ultraviolet photolysis source
Journal Journal of Physical Chemistry A, 2008;112(14):3020-3030, Amicangelo JC, Dine CT, Irwin DG, Lee CJ, Romano NC, Saxton NL
Description Vacuum-ultraviolet photolysis (121.6 nm) of SiH4 in a N2 matrix at 12 K leads to the observation of several transient species, which have been characterized using Fourier transform infrared spectroscopy. Four transient species containing silicon and nitrogen have been observed (SiN2, Si(N2)2, HSiN2, and H2SiN2) and one containing only silicon and hydrogen (Si2H2) has been observed. The assignment of the infrared bands due to each of these species is accomplished by performing isotopic substitution experiments, matrix annealing experiments, UV-visible photolysis experiments, and by comparison to theoretically calculated vibrational frequencies
Faculty Jay Amicangelo is an assistant professor of chemistry
Student Chris Dine, Dan Irwin, Cyndi Lee, Natalie Romano, and Nancy Saxton all participated in this research during their junior and senior years as research credits towards their bachelor’s degrees in chemistry. Chris, Dan, and Nancy are currently employed in the chemical industry. Cyndi is currently in a graduate program at Mercyhurst College. Natalie is currently still enrolled at Penn State Erie
Fund This research was supported by funds from Penn State Erie, a Research Corporation Cottrell College Science award, and an ACS/PRF Type G award
 
( 15 )   Recorded at: 12/29/2008      
Title Competing isomerizations of [12]annulenes: Diels–Alder reaction versus electrocyclization.
Journal Org. Lett, 2008;10:1287-1290, Castro C, Karney WL, Noey E, Vollhardt KPC
Description This computational paper focused on elucidating the origins of the experimental reactivity difference between di-trans-[12]annulene and its cyclohexeno-fused counterpart. Using both DFT and coupled cluster methods, the authors determined that while both compounds undergo initial electrocyclization to an eight-membered ring intermediate, the cyclohexeno substituents facilitate Diels-Alder reaction and hinder a second electrocyclization by inducing greater puckering in this intermediate
Faculty Claire Castro is a professor of chemistry. William Karney is associate professor of chemistry and environmental science
Student Elizabeth Noey, a junior chemistry major, began work on this project in summer 2007, and the work now forms the first part of her senior thesis. She is currently enrolled at USF and will continue her computational research during summer 2008
Fund This research was supported by the National Science Foundation
 
( 16 )   Recorded at: 12/29/2008      
Title Extraction of pollutants from fish tissue for analysis using microemulsion
Journal J. Undergrad. Chem. Res, 2006: 5:71-74, Hanson AL, Katz CA, Mbindyo JKN
Description The recovery of 4,4’-dichlorobiphenyl spiked on fish tissue using microemulsion as extracting media instead of commonly used organic solvents was investigated. 4,4’-DCB was quantified by analysis using gas chromatography-electron capture detector (GC-ECD). Results showed quantitative recovery of the compound comparable to literature values for soxhlet extraction of polychlorinated biphenyls (PCBs) from fish tissue. Microemulsions are green solvents that are more environmentally friendly than the solvents commonly used in soxhlet extraction, and the process is convenient because wet samples can be processed without drying
Faculty Jeremiah K.N. Mbindyo is an Assistant Professor of Chemistry at Millersville University
Student Allyne Johnson did summer independent research on the project in her senior year. Civia A. Katz also did independent research on the project and wrote a Departmental honors thesis based in part on the research in her senior year. Allyne is a high school teacher and Civia is in a Ph.D. program at the University of Maryland, Baltimore County (UMBC).
Fund The research was supported by Millersville University start up funds for Jeremiah K.N. Mbindyo and a Niemeyer-Hodgson research grant to Civia A. Katz
 
( 17 )   Recorded at: 12/29/2008      
Title Synchrotron-based studies of metal adsorption and structural incorporation with iron oxyhydroxide nanoparticles
Journal In Adsorption of Metals By Geomedia II: Variables, Mechanisms, and Model Applications, 2008, Barnett, M. (Ed.), Elsevier Academic Press, 478 pp, Kim CS, Lentini CJ, Waychunas GA
Description Macroscopic metal(loid) uptake studies to nanoparticulate goethite (a-FeOOH) as a function of aging time at elevated temperature (75°C) and synchrotron-based X-ray studies to track changes in both the sorption mode and the rate of nanoparticle growth reveal the effects that uptake has on particle growth. The structural incorporation of metals observed has implications for the long-term fate and mobility of metals in contaminated regions, and may affect strategies for potential remediation/modeling efforts
Faculty Dr. Christopher Kim is an assistant professor in the Department of Chemistry at Chapman University
Student Christopher Lentini began the project as a senior and continued it in Dr. Kim's lab as a research assistant following graduation. Chris is currently in a doctoral program in engineering and applied sciences at Harvard University
Fund This study was supported by the Wilkinson College of Letters and Sciences, Chapman University, and grants from the American Chemical Society – Petroleum Research Grant, PRF #44721-GB10, and the National Science Foundation, Division of Earth Sciences, Grant #0618217
 
( 18 )   Recorded at: 12/29/2008      
Title Rediscovering Pasteur’s Quasiracemates
Journal Angew. Chem. Int. Ed, 2007;47:78-81, Wheeler KA, Grove RC, Davis RE, Kassel WS
Description Reconstructing L. Pasteur’s 1853 account of his peculiar three-component crystals confirmed the identities of the two crystalline phases as ammonium (+)-bitartrate and a quasiracemate of ammonium (+)-bitartrate/(-)-bimalate. A crystal structure of the quasiracemate shows that (+)-bitartrate and (-)-bimalate components organize in approximate inversion related molecular assemblies with each bitartrate and bimalate component forming homomeric catemeric motifs. The bitartrate strand is isostructural in the quasiracemate and (+)-bitartrate phases, and likely serves as the primary structural contributor to the intergrowth of these crystalline phases
Faculty Kraig Wheeler is an associate professor of chemistry. Collaborators Ray Davis (professor of chemistry emeritus) and Scott Kassel (associate professor) are at the University of Texas at Austin and Villanova University, respectively
Student Rebecca Grove participated in this research during her sophomore year at EIU, and is currently a junior chemistry major
Fund This research was supported by ACS-PRF, NSF-MRI, and an EIU seed grant
 
( 19 )   Recorded at: 12/29/2008      
Title Determination of carotenoid as the purple pigment in Gorgonia ventalina sclerites using Raman microscopy
Journal Spectrochimica Acta Part A,, 2008;69;1058-1061, Leverette CL, Warren M, Smith M-A, Smith GW
Description The dramatic increase in coral disease is a global concern. Current research has identified some of the pathogens responsible, but much less is known about host resistance and the protective mechanisms employed by corals in an effort to prevent pathogen invasion. One such mechanism employed by diseased gorgonians is an increase in the proportion of secreted purple-pigmented sclerites. Prior to this study, the chemical identification of the purple pigment was unknown. Through the use of Raman microscopy, the purple pigment was identified as a carotenoid with a polyene chain containing between 14 and 15 carbon double bonds. This discovery has led to current efforts to determine how corals produce or acquire these carotenoids and how these compounds inhibit the progression of the disease within coral animals
Faculty Chad Leverette is an assistant professor of chemistry. Garriet Smith is an associate professor of biology
Student Melissa Warren, a double major in chemistry and biology, completed this work for her senior research thesis. Marie-Ange Smith, a current biology major, participated in this research as an independent study. Melissa is currently in a doctoral program in chemistry at the University of Georgia. At the 2006 South Carolina Academy of Science meeting, Melissa won the "Undergraduate Research Award" and the "Best Undergraduate Female Scientist" award by the American Association for the Advancement of Science based on this research
Fund This research was supported by grants from the National Science Foundation, NOAA, and World Bank
 
( 20 )   Recorded at: 12/29/2008      
Title The [12]annulene global minimum
Journal J. Org. Chem.,, 2008;73:1532-1535, Braten MN, Castro C, Herges R, Köhler F, Karney WL
Description For many years, it was believed that tri-trans-[12]annulene was the most stable isomer of the highly reactive [12]annulene. This computational study reveals a new, more stable global minimum. This mono-trans isomer was computed to be 1.5 kcal/mol more stable than the experimentally observed tri-trans isomer
Faculty Claire Castro is a professor of chemistry. William Karney is associate professor of chemistry and environmental science
Student Miles Braten is a senior chemistry major. His work on this project (summer-fall 2007) constitutes the third chapter of his senior thesis. He will be applying to chemistry graduate school in the near future
Fund This work was supported by the National Science Foundation, the ACS Petroleum Research Fund, and the Arthur Furst Scholarship Fund
 
( 21 )   Recorded at: 12/29/2008      
Title Solution-structure of a DNA duplex containing a guanine-difluorotoluene pair: a wobble pair without hydrogen bonding?
Journal J. Am. Chem. Soc.,, 2008;130(14):4869-4878, Pfaff DA, Clarke KM, Parr TA, Cole JM, Geierstanger BH, Tahmassebi DC, Dwyer TJ
Description The work describes the use of synthetic nucleoside analogues to probe the structure and function of nucleic acids. Specifically, we found that the replacement of thymine with a structural mimic, difluorotoluene, introduced more dynamic motion in a G-F base pair as compared to a G-T wobble base pair in a DNA duplex. The G-F base pair has structural features of both a Watson-Crick base pair and a wobble base pair. These results may prove to be important to better understand the recognition and repair of mismatch sites in DNA
Faculty Tammy Dwyer is a Professor and the department Chair and Debbie Tahmassebi is an associate professor in the Department of Chemistry and Biochemistry
Student Danielle Pfaff is a senior who has been working on the project since her sophomore year. She plans to attend graduate school in the fall. Timothy Parr and Joanna Cole started work on the project during their sophomore years and continued through their junior years. Timothy is currently working in the local pharmaceutical industry. Joanna wrote her honors senior thesis on this work. She has been accepted to pharmacy school and will start this fall. Kristy Clarke is an alumna who currently teaches high school chemistry and worked on this as a summer project
Fund This project was funded by the Blasker-Rose-Miah Fund at the San Diego Foundation
 
( 22 )   Recorded at: 12/29/2008      
Title Electrogenerated chemiluminescence: An oxidative-reductive mechanism between quinolone antibiotics and tris(2,2’-bipyridyl)ruthenium(II)
Journal Analytica Chimica Acta, 2008;613:152-162, Burkhead MS, Wang H, Fallet M, Gross EM
Description This study investigated the cyclic voltammetry and electrogenerated chemiluminescent (ECL) reactions of a series of fluoroquinolone antibiotics in a flow injection analysis system. The 7-piperazinyl fluoroquinolone antibiotics were found to participate as a coreactant in an oxidative-reductive ECL mechanism with tris(2,2’-bipyridyl)ruthenium(II). The reaction mechanism was investigated and the method was applied to the determination of ciprofloxacin content in a pharmaceutical preparation
Faculty Erin Gross is an assistant professor of chemistry
Student Matthew Burkhead, Heeyoung Wang, and Marcel Fallet were chemistry majors participating in the research for independent study credit. Matthew and Heeyoung were also recipients of Ferlic Undergraduate Summer Research Scholarships (2006, 2007). Matthew and Marcel were recipients of Baumann Scholarships (2006, 2008). Matthew is in the process of visiting graduate schools. Heeyoung is in medical school at Creighton University, and Marcel is in graduate school
Fund This research was supported by a Creighton University Summer Faculty Research Fellowship (E. Gross) and a grant from NSF/Nebraska EPSCoR
 
( 23 )   Recorded at: 12/29/2008      
Title Construction of a reagentless glucose biosensor using molecular exciton luminescence
Journal Anal. Biochem, 2008;375:132-140, Der BS, Dattelbaum JD
Description We investigated and utilized the Escherichia coli glucose/galactose binding protein (GGBP) to create a fluorescent biosensor for glucose. We re-engineered the glucose-binding pocket and designed sensors to effectively detect glucose concentrations between 0.005 and 10 mM. The biosensor was shown to respond specifically to glucose even in the presence of interfering agents commonly found in blood serum. This biosensor may provide a route to the real-time monitoring of glucose levels with applications in bioprocess monitoring and in minimizing health complications caused by diabetes
Faculty Jon Dattelbaum is an assistant professor of chemistry
Student Bryan Der is a senior biochemistry and molecular biology major and conducted 4 years of research for his honors thesis
Fund The research was supported by grants from Research Corporation and The Jeffress Memorial Trust. Bryan was supported by a grant from the Howard Hughes Medical Institutes and will start a doctoral degree program in biochemistry at the University of North Carolina, Chapel Hill next year
 
( 24 )   Recorded at: 12/29/2008      
Title Reduced band gap dithieno[3,2-b:2',3'-d]pyrroles: new n-type organic materials via unexpected reactivity
Journal Org. Lett, 2008;10:155 -1556., Pappenfus TM, Hermanson BJ, Helland TJ, Lee GGW
Description Direct addition of tetracyanoethylene to dithienopyrrole (DTP) yields not only the aromatic mono- and bis-tricyanovinyl-substituted products but also a quinoidal product with dicyanomethylene groups. The analogous reaction with dithienothiophene (DTT) yields exclusively the aromatic mono-tricyanovinyl product. The electronic and solid-state features of the materials are attractive for a variety of applications including organic transistors and solar cells
Faculty Ted Pappenfus is an assistant professor of chemistry at the University of Minnesota, Morris
Student Tyler Helland and Garett Lee worked on the project during the summer of 2005. Tyler is currently a medical student at the University of Minnesota, Duluth and Garett is currently a graduate student at the University of Iowa. Bethany Hermanson worked on the project as part of the University of Minnesota’s Undergraduate Research Opportunities Program in the spring of 2007 and continued the project in the summer. Bethany will graduate in the spring of 2008 and will work in industry
Fund Initial funding for the project came from the Petroleum Research Fund administered by the American Chemical Society
 
( 25 )   Recorded at: 12/29/2008      
Title A new a-galactosyl-binding protein from the mushroom
Journal Lyophyllum decastes. Archives of Biochemistry and Biophysics, 2007;467:268-274, Goldstein IJ, Winter HC, Aurandt J, Confer L, Adamson JT, Hakansson K, Remmer H
Description This study describes the isolation and characterization of a new a-galactosyl-binding lectin from the mushroom Lyophyllum decastes. The Lyophyllum decastes Lectin (LDL) was isolated and portions of the protein sequence were determined. Laura Confer determined the full length DNA sequence of LDL by creating cDNA library
Faculty Jennifer Aurandt is an Assistant Professor of Chemistry and Biochemistry at Kettering University
Student Laura Confer was an undergraduate Chemistry major and performed the research as a research assistant. The remaining authors are collaborators from the University of Michigan. Laura Confer is currently employed and will be starting graduate school in the Program in Biomedical Sciences at University of Michigan in the fall of 2008
Fund The research was supported by Faculty Development Grant from Kettering University awarded to Jennifer Aurandt and National Institute of Health, Grant GM-29470 awarded to Irwin Goldstein
 
( 26 )   Recorded at: 12/29/2008      
Title Structural studies of racemates and quasiracemates. Chloro, bromo, and methyl adducts of 2-phenoxypropionic acid
Journal Cryst. Growth Des.,, 2008;8:612-619, Lineberry AM, Davis RE, Kassel WS, Wheeler KA
Description In this work, we synthesized and assessed the crystal structures of a homologous series of racemic and quasiracemic compounds. The investigated quasiracemates, materials that consist of two chemically unique compounds that differ in handedness, crystallize to give supramolecular assemblies that mimic the centrosymmetric alignment of the racemic counterparts. The structural themes of isostructurality (both local and crystal structure patterns) and concomitant polymorphism in this study underscore the inherent importance of molecular shape as a contributor to molecular recognition processes
Faculty Kraig Wheeler is an associate professor of chemistry. Collaborators Ray Davis (professor of chemistry emeritus) and Scott Kassel (associate professor) are at the University of Texas at Austin and Villanova University, respectively
Student Aaron Lineberry participated in the project as a senior and is currently pursuing his PhD in chemistry at the University of Akron
Fund This research was supported by ACS-PRF, NSF-MRI, and an EIU seed grant
 
( 27 )   Recorded at: 12/29/2008      
Title Three-dimensional structure of conotoxin tx3a: an m-1 branch peptide of the M-Superfamily
Journal Biochemistry, 2008;47:2826-2832, McDougal, OM, Turner, MW, Ormond, AJ, Poulter, CD
Description The present study described the second reported three-dimensional structure for an m-1 branch peptide, tx3a, of the M-Superfamily of conotoxins. Interestingly, this structure is more similar to the m-2 branch peptide mr3a than it is to the m-1 branch peptide mr3e even though the disulfide connectivity is conserved between m-1 branch peptides; different than m-2 branch peptides. In addition, the physiological effect of injection of the peptide in mice is similar for conotoxins mr3a and tx3a, which is different than that observed for mr3e. This work was acknowledged by the journal Biochemistry as a “Hot Article”.
Faculty Owen McDougal is an assistant professor of Chemistry and Biochemistry. C. Dale Poulter is a professor of chemistry at the University of Utah
Student Matthew W. Turner is a junior chemistry and biology major. Andrew J. Ormond is a junior biology major. Both Matt Turner and Andrew Ormond are currently enrolled in their senior year of study at Boise State University
Fund This work was supported by an NIH Idea Network of Biomedical Research Excellence award and a grant from the Mountain States Tumor Medical Research Institute program
 
( 28 )   Recorded at: 12/29/2008      
Title Solid phase microextraction method for in vivo measurement of allelochemical uptake
Journal Journal of Chemical Ecology, 2008;34:70-75, Loi RX, Solar MC, Weidenhamer JD
Description This study reports a method for the use of solid phase microextraction to measure concentrations of monoterpenes within plant stem fluid. Exogenously applied compounds were detected as quickly as 1-2 hours following applications, and at applied concentrations as low as 50 micromolar. This is one of the first reports documenting the movement of natural allelochemicals into a target plant.
Faculty Jeff Weidenhamer is professor of Chemistry at Ashland University
Student Rebecca Loi is a senior biochemistry major and Marissa Solar is biology major who graduated in 2007. Marissa is employed as a chemist at Sherwin Williams, and Rebecca is in the process of applying to medical school
Fund The research was supported by the National Science Foundation during summer research programs in 2006 and 2007
 
( 29 )   Recorded at: 6/25/2008      
Title Improved electrochemical biosensor response via metal oxide pre-oxidation of chemical interferents
Journal Nanosensing: Materials, Devices, and Systems III, ed. M. Saif Islam, Achyut K. Dutta, Proceedings of SPIE Vol. 6769 (SPIE, Bellingham, WA, 2007) 67690I, Houseknecht JG, Tapsak
Description The work built upon the prior paper and primarily focused on the reduction of three electroactive interferent species using metal oxides. Metals oxides, such as manganese oxide and lead oxide, were demonstrated to reduce endogenous interferent levels of ascorbic acid, uric acid but not acetaminophen in phosphate buffered saline solutions. The rate of this reduction was reported along with its overall effectiveness
Faculty Mark Tapsak is an assistant professor of chemistry
Student Jamie Houseknecht participated in the research for more than a year both as a volunteer and for credit. He is currently working for Becton, Dickinson and Company on biosensors while also attending the University of North Carolina part time as a chemistry graduate student
Fund This work was supported in part with a President’s Fund for Academic Initiatives grant from Bloomsburg University
 
( 30 )   Recorded at: 6/25/2008      
Title Crystal structures of hexameric and dimeric complexes of lithioisobutyrophenone.
Journal J Chem Crystallog, 2007;37:825-829, Nichols MA, Leposa CM, Hunter AD, Zeller M
Description X-ray crystal structures of two unsolvated hexameric complexes and one N,N,N’,N’-tetramethyl-1,2-ethanediamine (TMEDA)-solvated dimeric complex of the lithium enolate of isobutyrophenone are reported. These complexes represent only the second reported crystal structures of either an unsolvated hexamer or a solvated dimer of a lithium enolate of a simple monocarbonyl ketone
Faculty Michael Nichols is an associate professor of chemistry at JCU
Student Christina Leposa, a senior chemistry and biology major, participated in the research project for independent study credit. Christina is currently employed as a R&D Paint Chemist for Sherwin-Williams Diversified Brands in Cleveland, OH
Fund Christina was supported by grants from the John Huntington Foundation for Education and the George W. Codrington Charitable Foundation
 
( 31 )   Recorded at: 6/25/2008      
Title The functional role of cysteine residues for c-Abl kinase activity
Journal Mol Cell Biochem., 2007;304(1-2):207-12, Leonberg AK, Chai YC.
Description In this study, we show that the kinase activity of the non-receptor tyrosine kinase c-Abl is inhibited by in vitro thiol modification; specifically, the cysteine residues are modified by glutathione disulfide (S-glutathionylation) and thiol alkylating agents. We also demonstrate that S-glutathionylation of c-Abl can be reversed using glutaredoxin and this reversal restores c-Abl kinase activity. This modification may represent a mechanism of regulation of c-Abl kinase activity in cells under oxidative stress
Faculty Yuh-Cherng Chai is an assistant professor of chemistry
Student Amanda Leonberg, a senior chemistry and biology major, participated in the research project for independent study credit. Amanda is currently in the School of Medicine at Creighton University.
Fund This research project was supported by a Cottrell College Science Award from Research Corporation. Amanda was supported by grants from the John Huntington Foundation for Education and the George W. Codrington Charitable Foundation
 
( 32 )   Recorded at: 6/25/2008      
Title Correlations of the specific rates of solvolysis of aromatic carbamoyl chlorides, chloroformates, chlorothionoformates, and chlorodithioformates revisited.
Journal Int J Mol Sci., 2007;8;346-362, Kevill DN, Koyoshi F, D’Souza MJ
Description When aromatic rings are bonded, at the transition state, to the carbon which is developing positive charge, the charge will be partially distributed into the aromatic rings. This causes changes in the solvation of the rings in going from the substrate to the activated complex. The current publication shows that the Kevill-D’Souza proposal to correct dispersions observed in Grunwald-Winstein equations for benzylic substrates provides meaningful results, and can be applied to solvolyses involving both anionic and neutral leaving groups
Faculty Dennis N. Kevill is distinguished research professor of chemistry & biochemistry at Northern Illinois University. Malcolm J. D’Souza is professor of chemistry at Wesley College
Student Fumie Koyoshi is a biology major at Wesley College who completed this research project during her junior year as part of an NIH-NCRR-INBRE sponsored Directed Research program
Fund This research was supported through the NIH-NCRR-INBRE grant number 2 P2O RR016472-07
 
( 33 )   Recorded at: 6/25/2008      
Title Infrared studies reveal unique vibrations associated with the PGK-ATP-3-PG ternary complex
Journal Biochemistry, 2008;47:84-91, White EM, Holland AR, MacDonald G
Description The study utilized difference infrared spectroscopy to study multiple conformations of the enzyme phosphoglycerate kinase (PGK). PGK catalyzes a reversible phospho-transfer reaction between ATP and 3-phosphoglycerate (3PG) that is thought to require a hinge-bending motion in the protein that brings two separate substrate-binding domains closer together facilitating this reaction. We used difference infrared spectroscopy to understand the conformational changes that are unique to the active PGK-ATP-3PG complex. Difference FTIR spectra obtained on the PGK-ATP-3PG complex showed distinct bands that may result from amino acid side chains as well as structural changes in the hinge region and/or increased interactions such as salt bridges forming between the two domains
Faculty
Student Ellen White and Amanda Holland were JMU undergraduate chemistry majors who worked on the project for over two years. The students worked during the academic year and the summer months. Ellen is applying to graduate schools and Amanda is in nursing school
Fund This research was supported by The Henry Dreyfus Teacher-Scholar Awards Program and NSF-REU 0353807 (Chemistry).
 
( 34 )   Recorded at: 6/25/2008      
Title Enhanced aqueous photochemical reaction rates after freezing
Journal J Phys Chem A, 2007;111:11043-11049, Grannas AM, Bausch AR, Mahanna KM
Description Sunlit snow/ice is known to play an important role in atmospheric chemistry processes, including photochemical production of NOx, HONO, molecular halogens, alkyl halides, and carbonyl compounds, among others. The fundamental nature of the chemistry occurring in snow and ice, however, is not well understood. It has been shown that a liquid-like (quasi-liquid or disordered) layer exists on the surface of pure ice and that this quasi-liquid layer is also found on the surface of ambient snow crystals and ice at temperatures similar to polar conditions. However, it is unclear what role the quasi-liquid layer on the surface of snow/ice plays in potential photochemical reactions, particularly with regard to organic substrates. Here we report a detailed study of enhanced rates of photochemical nucleophilic substitution of p-nitroanisole with pyridine, a well-characterized and commonly used actinometer system. Reaction rates were enhanced by a factor of up to ~25 when frozen at temperatures between 236 K and 272 K and were dependent on temperature and ionic strength, both variables that control the nature of the quasi-liquid layer
Faculty Amanda Grannas is an assistant professor of chemistry
Student Alexandra Bausch (a junior) and Kendell Mahanna (class of 2006), both chemistry majors, participated in the summer research program at Villanova. Kendell is currently in a masters program in food science at the University of Illinois, Urbana-Champaign. Alexandra is currently a junior at Villanova University and continues to participate in research. She will travel to Barrow, Alaska in May 2008 to participate in a fieldwork component of the project
Fund The research was supported by a National Science Foundation Faculty Early Career Development Award (Division of Atmospheric Sciences, ATM-0547435)
 
( 35 )   Recorded at: 6/25/2008      
Title Rate and product studies in the solvolyses of methanesulfonic anhydride and a comparison with methanesulfonyl chloride solvolyses
Journal J Phys Org Chem, 2007;20;431-438, Kevill DN, Ryu ZH, Niedermeyer, MA, Koyoshi F, D’Souza MJ
Description Sulfonyl and sulfamoyl halides are important building blocks in the synthesis of a number of arthritis, cancer, antiviral, and antifungal drugs. Therefore it is important to study the amount of bond-making and bond-breaking processes involved when these compounds react in aqueous-organic solvents. The published results are consistent with a bimolecular mechanism, and are best explained by a synchronous displacement mechanism
Faculty Dennis N. Kevill is distinguished research professor of chemistry & biochemistry at Northern Illinois University. Zoon Ha Ryu is professor of chemistry at Dong-Eui University, Korea. Malcolm J. D’Souza is professor of chemistry at Wesley College
Student Monica Niedermeyer and Fumie Koyoshi completed this undergraduate research project as part of an NIH-NCRR-INBRE sponsored Wesley College Directed Research program. Monica is a senior nursing major and Fumie is a senior biology major at Wesley College.
Fund This research was supported through the NIH-NCRR-INBRE grant number 2 P2O RR016472-07
 
( 36 )   Recorded at: 6/25/2008      
Title Consideration of the factors influencing the specific rates of solvolysis of p-methoxyphenyl chloroformate
Journal Int J Mol Sci, 2007;8:788-796, D’Souza MJ, Reed D, Koyoshi F, Kevill DN
Description This project highlights the importance of the use of fluoroalcohols as pure solvents or as a component of binary mixtures, in studies leading to analyses using LFER’s such as the Grunwald-Winstein equations. Our results show that p-methoxyphenyl chloroformate proceeds by an addition-elimination (association-dissociation) mechanism, with the addition step being rate determining
Faculty Malcolm J. D’Souza is professor of chemistry at Wesley College. Dennis N. Kevill is distinguished research professor of chemistry and biochemistry at Northern Illinois University
Student Darneisha Reed and Fumie Koyoshi completed this research project as part of an NIH-NCRR-INBRE undergraduate summer 2007 internship program. Darneisha is a junior medical technology major at Wesley College. Fumie is a senior biology major at Wesley College and this is her third refereed publication.
Fund This research was supported through the NIH-NCRR-INBRE grant number 2 P2O RR016472-07
 
( 37 )   Recorded at: 6/25/2008      
Title Thermodynamics and kinetics of glyoxal dimmer formation: a computational study
Journal J Phys Chem. A, 2008;112:66-72, Kua J, Hanley SW, De Haan DO
Description Reactions of glyoxal may be significant in secondary organic aerosol formation in the atmosphere. In this study, glyoxal hydration and dimer formation mechanisms are studied computationally to shed light on reaction mechanisms. Doubly hydrated glyoxal is subject to nucleophlic attacks after one water is removed
Faculty Jeremy Kua (assistant professor) and David De Haan (associate professor) are colleagues in the Department of Chemistry
Student Sean Hanley participated in this computational project for undergraduate research credit as a junior after studying this chemical system in the laboratory the previous summer. He will graduate and be commissioned as a naval officer in May
Fund The project was supported by a Camille and Henry Dreyfus Foundation Start-Up Award and by an award from Research Corporation
 
( 38 )   Recorded at: 6/25/2008      
Title Modulation of Bax inhibitor-1 and cytosolic Ca2+ by cytokinins in Nicotiana tabacum cells
Journal Biochimie, 2007;89:961-971, Bolduc N, Lamb GN, Cessna SG, Brisson LF
Description The protein Bax Inhibitor-1 (BI-1) has recently emerged as a negative regulator of plant programmed cell death, and its role in cytokinin-dependent cell death regulation has been suspected. How BI-1 functions at the biochemical level in plants remains unknown. Using tobacco cells that were stably transformed to express the calcium-sensitive bio-luminescent protein aequorin, we demonstrate that cytokinin treatments initiate a cytosolic calcium signal which coincides with the induction of BI-1 transcript and protein. However, using selective modulators of calcium signaling, the cytokinin-induced calcium influx was subsequently shown to be inconsequential to BI-1 induction. These findings should help clarify the multifaceted signaling network involved in phytohormone-regulated cell death
Faculty Steve Cessna is an associate professor of biochemistry at Eastern Mennonite University in Harrisonburg, Virginia. Louise Brisson is a professor of biochemistry at the Université Laval, Quebec
Student Nathalie Bolduc was a graduate student in Louise’s lab, but is now a postdoctoral fellow at the USDA-Plant Gene Expression Center in Albany, California. As a rising junior at Eastern Mennonite Greg Lamb performed all of the calcium assays in this study during the hot Virginia summer of 2004, and is now pursuing a medical degree
Fund The research was funded by a grant from the Thomas F. Jeffress and Kate Miller Jeffress Memorial Trust
 
( 39 )   Recorded at: 6/25/2008      
Title Analysis and monitoring of volatile analytes from aqueous solutions by extractions into the gas phase using microdialysis membranes and coupling to fast GC
Journal Anal Chem, 2008;80:123-128, Jones MA, Kramer AM, Humbert MT, Vanadurongvan T, Maurer JA, Bowser MT, Borgerding
Description Helium was used for the first time as an extractant phase for microdialysis extraction probes. These tiny probes, capable of being used in microscopic environments such as arteries or tissues, exhibit faster extraction and transport time than normal probes for volatile compounds, and have been used for near-real time monitoring experiments
Faculty Tony Borgerding is an associate professor of chemistry
Student The work was completed by 5 students working on different aspects of the project over a 3 year period, including both summers and the academic year. Melissa Jones is a graduate student in chemistry at the University of Minnesota. Ashley Kramer is employed by Integrated DNA Technologies, Mathhew Humbert is enrolled at UST and working on new projects using the microdialysis probe. Tyler Vanadurongvan is in the MD/PhD program at the University of South Dakota. Jonathan Maurer is employed at TakeAction Minnesota
Fund Funding came from an NSF-RSEC grant administered by the University of Minnesota, and from work-study and other internal funds from the University of St. Thomas
 
( 40 )   Recorded at: 6/25/2008      
Title Infrared and computational studies of the adsorption of methanol and ethanol on single-walled carbon nanotubes
Journal J Phys Chem C., 2007;111:18127-18134, Ellison MD, Morris ST, Sender MR, Brigham J, Padgett NE
Description This study investigated the adsorption of small alcohol molecules on single-walled carbon nanotubes. The adsorption is found to be dominated by hydrogen bonding between adsorbed molecules, with the molecule-nanotube force being much weaker. This research involved computational modeling to help clarify experimental results. Previous studies have shown that the nanotubes’ electrical properties were altered upon adsorption of methanol or ethanol, and the current work indicates that such a change must come about from a non-specific interaction
Faculty Mark Ellison is an assistant professor of chemistry
Student Steve Morris participated in this research as part of his senior honors thesis. He is employed by Sanofi Aventis. Matt Sender participated in this research as directed research during his junior year. He is in the doctoral program in chemistry at Temple University. Jennifer Brigham participated in this research during a summer research experience. She has taught in the Teach for America program for two years and is applying to graduate programs. Nick Padgett also participated in this research during a summer research experience and is in the US Army Reserves
Fund This research was supported by the Research Corporation, Ursinus College and Wittenberg University
 
( 41 )   Recorded at: 6/25/2008      
Title Persistent organochlorine pesticides, polychlorinated biphenyls, polybrominated diphenylethers in fish from coastal waters off Savannah, GA, USA
Journal Toxicol Environ Chem, 2008;90:81-96, Sajwan KS, Senthilkumar K, Nune S, Fowler A, Richardson JP, Loganathan BG
Description Contamination profiles of organochlorine pesticides (OCPs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) were determined in six fish species from three selected regions along coastal waters off Savannah, GA. Concentrations of PCBs were predominant (12-493 ng/g lipid wt.) followed by PBDEs (10-337 ng/g lipid wt.) and OCPs such as DDTs 2.7-153 ng/g lipid wt., chlordanes (3.8-34 ng/g lipid wt). The results indicated no region specific difference in the contaminants, however inter-species as well as intra-species differences were evident. The levels of PCBs and OCPs in fish from coastal waters off Savannah, GA were below the Food and Drug Administration (FDA) established limits for human consumption
Faculty Kenneth Sajwan and Joseph Richardson are professors of biological sciences at Savannah State University (SSU). Bommanna Loganathan is an associate professor of environmental chemistry at Murray State University. Kurunthachalam Senthilkumar is a research associate at SSU
Student Suresh Nune is a chemistry graduate student at MSU, Annette Fowler is a chemistry undergraduate senior at MSU. Annette participated in this research particularly in PBDE analysis part of this major project during the last spring and summer of her junior year
Fund The research was supported by the US National Park Service, Department of Interior and MSU's McNair Scholar Program (Annette Fowler's assistantship)
 
( 42 )   Recorded at: 6/25/2008      
Title Effects of increased salinity on survival and lipid composition of Helisoma trivolvis (Colorado strain) and Biomphalaria glabrata in laboratory cultures
Journal Veliger, 2007;49:101-104, Martin DL, Fried B, Sherma J
Description High performance quantitative silica gel thin layer chromatography-densitometry was used to study the effects of increased salinity on the lipid composition of the digestive gland-gonad complex (DDG) of two medically important freshwater snails. Both species survived an increased salinity up to 20% for up to two weeks and showed no changes in the concentrations of major neutral and phospholipid classes compared to control snails maintained in distilled water. These results have implications for the spread of larval trematodiasis to endemic areas where salinities may be elevated
Faculty Joseph Sherma is Larkin Professor Emeritus of Chemistry and Bernard Fried is Krieder Professor Emeritus of Biology
Student Danielle L. Martin, a 2006 BS-Biochemistry graduate had three earlier coauthored papers published. Danielle is attending Yale University in the Molecular Cell Biology, Genetics and Development track of the Biomedical Science PhD program
Fund Supported by the Lafayette College EXCEL Scholar Program and a Camille and Henry Dreyfus Foundation Senior Scientist Mentor Program award to J. Sherma
 
( 43 )   Recorded at: 6/25/2008      
Title Copper sensing based on the far-red fluorescent protein, HcRed, from Heteractis crispa
Journal Anal Biochem, 2007;370:60–67, Rahimi Y, Shrestha S, Banerjee T, Deo SK
Description In this article, we report for the first time on the copper (Cu2+) binding characteristics of the far-red fluorescent protein, HcRed, and its application in the development of a reagentless sensing system for copper. In the studies performed in our laboratory, we found that the fluorescence of HcRed is quenched in the presence of copper ions (Cu2+). On the basis of this observation, we developed a reagentless sensing system for the detection of Cu2+ based on HcRed as the biosensing element. A detection limit for Cu2+ in the nanomolar range was obtained. HcRed was found to bind copper ions selectively when compared with other divalent ions
Faculty Sapna K. Deo is an assistant professor in the Department of Chemistry & Chemical Biology
Student Tanushree Banerjee was a Chemistry major who participated in this research for independent study credit. Tanushree is in a graduate program in Chemistry at the Virginia Commonwealth University
Fund The research was supported by IUPUI and a fellowship to Tanushree from IUPUI Undergraduate Research Opportunity Program
 
( 44 )   Recorded at: 6/25/2008      
Title A low cost computer-controlled and powered multichannel potentiostat for general use in development of inexpensive electrochemical sensors
Journal Inst Sci Tech, 2007;35:589-98, Tapsak MA, Houseknecht JG, Goode PV
Description The paper described the design and testing of an inexpensive 16-channel potentiostat that is both controlled and powered by a PC multifunction data acquisition card. As an enabling example, the novel potentiostat was used to measure the extent for which insoluble manganese oxide powder will pre-oxidize ascorbic acid in a phosphate buffered saline solution. This technique to reduce electroactive interferent species has recently been reported to be useful for enzyme-based electrochemical sensors
Faculty Mark Tapsak is an assistant professor of chemistry and Paul Goode is an industrial collaborator
Student Jamie Houseknecht participated in the research for more than a year both as a volunteer and for credit. He is currently working for Becton, Dickinson and Company on biosensors while also attending the University of North Carolina part time as a chemistry graduate student
Fund This work was supported by a Research and Disciplinary Grant from Bloomsburg University
 
( 45 )   Recorded at: 6/25/2008      
Title Rediscovering Pasteur’s quasiracemates
Journal Angew Chem Int Ed, 2007;47:78-81, Wheeler KA, Grove RC, Davis RE, Kassel WS
Description Reconstructing Pasteur’s 1853 account of his peculiar three-component crystals confirmed the identities of the two crystalline phases as ammonium (+)-bitartrate and a quasiracemate of ammonium (+)-bitartrate/(-)-bimalate. A crystal structure of the quasiracemate shows that (+)-bitartrate and (-)-bimalate components organize in approximate inversion related molecular assemblies with each bitartrate and bimalate component forming homomeric catemeric motifs. The bitartrate strand is isostructural in the quasiracemate and (+)-bitartrate phases, and likely serves as the primary structural contributor to the intergrowth of these crystalline phases
Faculty Kraig Wheeler is an associate professor of chemistry. Collaborators Ray Davis (professor of chemistry emeritus) and Scott Kassel (associate professor) are at the University of Texas at Austin and Villanova University, respectively
Student Rebecca Grove participated in this research during her sophomore year at EIU, and is currently a junior chemistry major
Fund This research was supported by ACS-PRF, NSF-MRI, and an EIU seed grant
 
( 46 )   Recorded at: 2/13/2008      
Title Escherichia coli RNA polymerase-associated SWI/SNF protein RapA: evidence for RNA-directed binding and remodeling activity
Journal Nucleic Acids Res, 2007;35:1-17, McKinley BA, Sukhodolets MV
Description Helicase-like SWI/SNF proteins are present in organisms belonging to distant kingdoms from bacteria to humans, indicating that they perform a very basic and ubiquitous form of nucleic acid management; current studies associate the activity of SWI/SNF proteins with remodeling of DNA and DNA–protein complexes. This work presents evidence that RapA - the bacterial homolog of eukaryotic SWI/SNF proteins - binds and remodels RNA during transcription
Faculty Maxim V. Sukhodolets is an assistant professor of biochemistry
Student Brian McKinley is still enrolled at LU. He contributed to this work during the 2006/07.
Fund This study was supported in part by Grant Number R15GM081803 from the National Institute of General Medical Sciences (to MVS), a Welch Foundation grant (V-0004), and departmental fund
 
( 47 )   Recorded at: 2/13/2008      
Title The externally derived portion of the hyperosmotic shock-activated cytosolic calcium pulse mediates adaptation to ionic stress in suspension-cultured tobacco cells
Journal J Plant Physiol, 2007;164: 815-823, Cessna SG, Matsumoto TK, Lamb GN, Rice SJ, Hochstedler WW
Description The influx of calcium into the cytosol has long been suggested to serve as a signaling intermediate in the acquisition of tolerance to hyperosmotic and salinity stresses in plant cells, but the cellular origins (e.g. organelle release or externally-derived influx) of the calcium entering the cytosol have been disputed. Using tobacco cells that were stably transformed to express the cytosol-localized Ca2+-sensitive bioluminescent protein aequorin, we demonstrate that hyperosmotic stress initiates a cytosolic calcium signal deriving from both the release of organellar calcium and the entry of extracellular calcium. Using selective calcium signaling inhibitors, the externally-derived portion of this calcium signal was subsequently shown to be critical in ionic stress acquisition in these cells
Faculty Steve Cessna is an associate professor of biochemistry. Tracie Matsumoto is a research horticulturalist at the Pacific Basin Tropical Plant Genetic Resource, ARS-USDA, Hilo, HI
Student Wendy Wenger-Hochstedler helped initiate the project as part of an independent study course during her senior year (2001). Wendy has since finished a master’s program in biology and now does occasional contract work for the US National Parks Service while taking care of her new baby. Shawn Rice and Greg Lamb added to the project over two different summers (2002 and 2004), and then both continued into the following fall semesters. Shawn is in a biology graduate program and Greg is pursuing a medical degree
Fund The research was funded by a grant form the Thomas F. Jeffress and Kate Miller Jeffress Memorial Trust.
 
( 48 )   Recorded at: 2/13/2008      
Title Substituent effects on the relative electronic energies of pyrrole and the imine tautomers of pyrrole
Journal J Undergrad Chem Res, 2007;6:119-128, Wilson WR, Ligare MR, Codding SJ, Berumen JM, Zoellner RW
Description Hartree-Fock computational methods were used to determine the structures and properties of twenty-three tetra-substituted pyrroles in order to determine the effect of ring substituents on the relative energies of the pyrrole tautomers and the cyclic imine (azadiene) tautomers. When tetra-substituted with either fluoro-, hydroxy-, methoxy-, amino-, dimethylamino-, nitro-, or vinyl-substituents, the azadiene tautomer is predicted to be more stable than the pyrrole tautomer
Faculty Robert W. Zoellner is a professor of chemistry; the project was part of an independent study course
Student Wilton R. Wilson and Sara J. Codding participated in the project as seniors and are currently employed in industry, and Marshall R. Ligare and Jason M. Berumen participated in the project as juniors and are currently enrolled as seniors
Fund The project was supported in part by an NSF-CCLI grant
 
( 49 )   Recorded at: 2/13/2008      
Title Characteristics of aggregation induced emission in 1,1-dimethyl-2,3,4,5-tetraphenyl and 1,1,2,3,4,5-hexaphenyl siloles and germoles
Journal J Inorg Organomet P, 2007;17:201-213, Mullin JL, Tracy HJ, Ford JR, Keenan SR, Fridman F
Description A comparative study of the dramatic aggregation-induced enhancement (AIE) of luminescence exhibited by a set of four metalloles (two siloles and two germoles) was undertaken in an effort to characterize this unusual behavior and gain insights into it origins. All four of the compounds studied showed increases in luminescence quantum yields of approximately two orders of magnitude in aggregated states, compared to unaggregated states in solution. The characteristics of this behavior point to restricted intramolecular rotations within the propeller-shaped molecules as the primary cause of the dramatic increase in luminescence of the aggregates. This was an invited paper in a special issue of JIOPM in honor of Professor Ian Manners
Faculty Jerome Mullin is professor of chemistry at the University of New England (UNE). Henry Tracy is professor of chemistry, and James Ford is assistant professor of chemistry at the University of Southern Maine (USM)
Student Scott Keenan participated in the research during the summer between his junior and senior years; Fred Fridman carried out his work on the project during his junior and senior years, as well as the summer between those years. Scott Keenan currently is employed as a chemist in industry in the Greater Portland area; Fred Fridman currently is applying to medical school.
Fund The work was supported by mini-grants provided by UNE and USM
 
( 50 )   Recorded at: 2/13/2008      
Title Reverse selectivity in m-CPBA oxidation of oligothiophenes to sulfones
Journal Org Lett, 2001;9:3721-3724, Pappenfus TM, Melby JH, Hansen BB, Sumption DM, Hubers SA, et al
Description Oligothiophene sulfones of up to six rings can be conveniently prepared by the direct oxidation of butyl-substituted thiophene oligomers with m-CPBA in dichloromethane. Reverse selectivity of oxidized rings is observed relative to previously reported systems without alkyl-substitution. Thiophene-based sulfones (or S,S-dioxides) are an important class of organic materials for a variety of applications including opto-electronic devices and biodiagnostics. This research was a collaborative effort between several institutions
Faculty Ted Pappenfus is an assistant professor of chemistry
Student Jacob Melby, Brent Hansen and Devin Sumption began the project during the Introduction to Research course required of UMM’s chemistry majors. Jacob continued the project in the summer after his sophomore year. During his junior year, Scott Hubers analyzed the absorption/emission properties of the materials as an independent research study. Jacob is currently a graduate student in materials science at Carnegie Mellon University and Brent in employed in industry. Scott and Devin are currently still enrolled
Fund The research was supported by the Morris Academic Partnership Program funded by Dean's Office and by the National Science Foundation.
 
( 51 )   Recorded at: 2/13/2008      
Title Dynamics of water in carbon tetrachloride
Journal J Phys Chem A, 2007;111:6146-6150, Goodnough JA, Goodrich L, Farrar TC
Description A dilute solution of water in a hydrophobic solvent, such as carbon tetrachloride (CCl4), presents an opportunity to study the rotational properties of water without the complicating effects of hydrogen bonds. We reported the results of theoretical, experimental, and semiempirical studies of a 0.03 mole percent solution of water in CCl4. It was shown that for this solution there are negligible water-water interactions or water-CCl4 interactions; theoretical and experimental values for proton NMR chemical shifts are used to confirm the minimal interactions between water and the CCl4. The average correlation time (time for the vector to rotate one radian) for the position vector of 17O in monomer water is 91 fs. The average value for the deuterium correlation time for the deuterium vector (along the OD bond) is 104 fs. Jennifer Goodnough is a professor of chemistry
Faculty Thomas Farrar is a professor emeritius of chemistry at the University of Wisconsin, Madison
Student Lauren Goodrich participated in this research during her junior year at the Univeristy of Minnesota, Morris. She graduated in May 2007 and is pursuing her PhD in chemistry at the University of Michigan
Fund The research was supported with funding from the MAP (Morris Academic Partnership) Program
 
( 52 )   Recorded at: 2/13/2008      
Title . cis-2,2-Dimethyl-1,3-diphenyl-2,3-dihydro-1H-benzo[c]silole
Journal Acta Crystallogr, 2007;E63:o3346, Watson AJ, Cope SK, Jones DS, Ogle CA
Description The title compound was prepared in a model reaction for the preparation of new phosphine ligands of similar structure via dicarbanions. Crystallographic work on the compound reveals the structure of the title compound, C22H22Si, which includes a benzosilacyclopentene in which the silacyclopentene ring assumes an envelope conformation. The Si atom is bonded to two methyl groups and to two carbons in the ring, which are each bonded to phenyl rings in the cis confirmation
Faculty Daniel Jones and Craig Ogle are professors of chemistry
Student Amanda Watson and Stephen Cope are undergraduate students who have participated in research. Cope synthesized the title compound as part of his undergraduate research. Watson began crystallographic work on the title compound during her freshman year as part of her undergraduate research, and then continued work as part of her senior thesis. Both are currently enrolled
Fund The research was supported through funds provided by the University of North Carolina at Charlotte
 
( 53 )   Recorded at: 2/13/2008      
Title Lead analysis in soils and sediments at the Saginaw Field and Stream Club
Journal Spectrosc Lett, 2007;40:525-536, Strait MM, Naile JE, Hix JML
Description Soil and sediment samples from the Saginaw Field and Stream Club in Saginaw County, MI were collected to determine whether lead levels at the club shooting ranges pose a threat to the environment. This is part of an on-going project to evaluate and make recommendations to the Club in their cleanup efforts. In general, lead was pervasive at the site in both metallic and soluble forms and occurs at concentrations significantly in excess of the Michigan Department of Environmental Quality criteria
Faculty Melissa Strait is a professor of chemistry
Student Jon Naile and Jeremy Hix participated in this project as independent study students starting during their sophomore year and continuing through their senior year. Naile is currently in graduate school and Hix is employed in industry
Fund This research was supported through a grant from the Saginaw Field and Stream Club and by Alma College
 
( 54 )   Recorded at: 2/13/2008      
Title Synthesis, larvicidal, QSAR and structural studies of some triorganotin 2,2,3,3-tetramethylcyclopropane-carboxylates
Journal Appl Organomet Chem, 2007;21:545-550, Song X, Zapata A, Hoerner J, de Dios AC, Casabianca L, Eng G
Description A series of triorganotin 2,2,3,3-tetramethylcyclopropanecarboxylates, where R = methyl, ethyl, n-propyl, n-butyl, phenyl and cyclo-hexyl, were synthesized. Structural characterization by several spectroscopic techniques indicated that all the complexes with the exception of the four-coordinated tricyclohexyl compound were five-coordinated in the solid state. In solution, all the complexes were four-coordinated. Larvicidal activities of the complexes were effective against three species of mosquito larvae. Lastly, quantitative structure-activity relationships (QSARs) were developed for each species of larvae
Faculty Both George Eng and Xueqing Song are professors of chemistry. Angel C. de Dios is a professor of chemistry at Georgetown University
Student Jana Hoerner participated in this research project during her sophomore year. She is currently in her third year and is working on additional projects
Fund The research was funded by the NIH/SCORE program
 
( 55 )   Recorded at: 2/13/2008      
Title A search accelerated correct intensity Fourier transform microwave spectrometer with pulsed laser ablation source
Journal Rev Sci Instrum,, 2007;78:096106-3, Grubbs GS II, Dewberry CT, Etchison KC, Kerr KE, Cooke SA
Description This article describes the successful development and implementation of a laser ablation source-equipped Fourier transform microwave spectrometer capable of observing 4 GHz regions of spectra in a single data acquisition event. The dramatically increased speed with which regions may be searched, when compared to other high resolution microwave techniques, allows the source conditions to be the prime variable in laser ablation microwave spectroscopic studies. A second feature of the technique is that observed spectral features have correct relative intensities
Faculty Stephen Cooke is an assistant professor of chemistry
Student Kate Kerr participated in this long running project beginning in her junior year and ending in her senior year. Kate has just entered graduate school at UNT
Fund Major support for the research was obtained from an ACS/PRF Type G award and UNT
 
( 56 )   Recorded at: 2/13/2008      
Title Palladium-catalyzed homocoupling of arenediazonium salts: an operationally simple synthesis of symmetrical biaryls
Journal Tetrahedron Lett., 2007;48:7687-7690, Robinson MK, Kochurina VS, Hanna JM Jr
Description A simple procedure for the intermolecular homocoupling of arenediazonium salts in air using a catalytic amount of palladium acetate was developed. The optimum conditions were found to be 15 mol% palladium acetate in refluxing methanol, with no additional terminal reducing agent required. These optimized conditions were used to prepare biaryls from several arenediazonium tetrafluoroborate salts, and most examples proceeded in moderate to high yields
Faculty James M. Hanna, Jr. is an assistant professor of chemistry
Student Monique Robinson participated in this work during the spring semester of her freshman year and continued it the following summer. Vasilina (Lisa) Kochurina participated in this project during the summer after her sophomore year. Both are currently still enrolled as undergraduates; Monique is a sophomore chemistry major, and Lisa is a junior biology major
Fund This research was supported through grants received from the Winthrop University Research Council
 
( 57 )   Recorded at: 2/12/2008      
Title Substrate specificity of Fpg (MutM) and hOGG1, two repair glycosylases
Journal J Amer Chem Soc, 2007;129:7724 – 7725, Hamm ML, Gill TJ, Nicolson SC, Summers MR
Description The E.coli and human enzymes Fpg and hOGG, respectively, repair the prominent and promutagenic DNA lesion 8-oxo-2’-deoxyguanosine (OdG). OdG differs from dG (an inactive substrate) at only two positions, N7 and C8; thus the importance of either of these sites to substrate recognition by these enzymes has long been questioned. In this study, three analogues of OdG that varied at N7 and/or C8 were found to be active with either enzyme indicating that substrate recognition is based more on the absence of a clashing co-planer lone pair at N7 (present in dG) and less on the presence of a specific enzyme interaction with OdG
Faculty Michelle Hamm is an associate professor of chemistry
Student Tim Gill worked on this project from his sophomore year through graduation, including two summers; after finishing a year in AmeriCorps, he is currently applying to medical school. Sarah Nicolson worked on the project during her sophomore and junior years, including one summer; she is currently in her senior year at Richmond and is applying to graduate school in Biochemistry. Matt Summers worked on this project for one term during his senior year and is currently in medical school at the Mayo Clinic in Rochester, MN on a Dean’s Scholarship
Fund This research was supported with an NSF-CAREER grant and by ACS-PRF
 
( 58 )   Recorded at: 2/12/2008      
Title Determining the enthalpy, free energy, and entropy for the solubility of salicylic acid with the Van’t Hoff Equation: A spectrophotometric determination of Keq
Journal Chem Educ, 2007;12(1):18-21, Barreto JC, Dubetz TA, Brown DW, Barreto PD, Coates CM, Cobb A
Description A laboratory exercise was developed for the General Chemistry II curriculum which involved the determination of the common thermodynamic parameters of solvation. The experiment is based upon determining the solubility of salicylic acid at many different temperatures with the sharing of the data points by the class; our design allows for the calculation of enthalpy, entropy and free energy for the process of dissolution, without using a calorimeter
Faculty Jose Barreto is a professor of chemistry; Dubetz and Brown are associate professors and Patricia Barreto is a research associate
Student Cristina Coates is a post-doctoral fellow, all in the Department of Chemistry and Mathematics. During summer 2006, Allison Cobb participated in this research as a visiting summer student at FGCU (she was a junior at William Jewell College in Kansas at the time). She also worked on a green technology research project involving photocatalysis. Allison is interested in pursuing a career in environmental science and is a senior in Chemistry at William Jewell
Fund The instruments used in this investigation were purchased with DOJ grant #2004-LC-CX-K048
 
( 59 )   Recorded at: 2/12/2008      
Title Fiber optic spectroelectrochemical sensing for in situ determination of metal ions
Journal Spectrosc Lett, 2007;40:501-511, Flowers PA, Arnett KA
Description In situ chemical sensing techniques are increasingly used for a variety of applications, including industrial process control, on-site environmental assessment, and detection of explosives and chemical and biological weapons. This article reports a summary of progress made by the authors' group toward the development of fiber optic-based sensors that employ simultaneous spectral and electrochemical measurements. Aqueous copper(II) was used as a model system to investigate the merit of an analytical scheme involving sequential electrodeposition, anodic stripping, and spectral detection of analyte
Faculty Paul Flowers is a chemistry professor
Student Kristen Arnett worked on this project over several semesters and two summers, beginning during her sophomore year. She is presently a senior majoring in chemistry with plans to pursue graduate studies
Fund This project was supported by a grant from the NSF-REU program
 
( 60 )   Recorded at: 2/12/2008      
Title Effective refractive index and intermolecular forces associated with a phase of functional groups
Journal Surf Sci, 2007;601:4582-4585, Yadav PS, Dupre D, Tadmor R, Park JS, Katoshevski D
Description Cases in which functional groups form distinct phases are common in material science in general and specifically in polymer and surfactant sciences. To calculate the van der Waals forces associated with such phases, the refractive index of the phases must be evaluated. We have a method to estimate the refractive index of ‘functional group phases’ and discuss how to use these estimations to calculate the associated interaction energies and thereby modify the total calculated van der Waals forces
Faculty Rafael Tadmor is a professor in the Chemical Engineering department. David Katoshevski is a professor in the Department of Biotechnology and Environmental Engineering, Ben Gurion University, Israel
Student Preeti Yadav was a Ph.D. student in the Chemical Engineering department at Lamar University. Derek Dupre is an undergraduate student in the Chemical Engineering department at Lamar University and participated in this project as part of an Honors course. He is currently in his last year of studies as an undergraduate. Jennifer Park participated in this study a summer after her sophomore year. She is currently a PhD student at the University of California San Diego
Fund The research was supported through an NSF-DMR grant, an ACS-PRF grant, and a Lamar University Research Enhancement grant
 
( 61 )   Recorded at: 2/12/2008      
Title Main group metal halide complexes with sterically hindered thioureas part XVIII: The synthesis, characterization, and X-ray crystallographic study of a BiCl3 complex with 1-methyl-2(3H)-imidazolethione
Journal Inorg Chim Acta, 2006;359:2252-2255, Williams DJ, Hutchings AM, McConnell NE, Faucher RA, Huck BE, Brevett CAS, VanDerveer D
Description A new inorganic complex of BiCl3 with 1-methyl-2(3H)-imidazolethione (meimtH) has been prepared and characterized. The structure consists of two different bismuth coordination spheres. One is distorted octahedral with three meimtH in meridional configuration and is tethered via hydrogen bonding to a dimeric pair of octahedra sharing a common edge through bridging chlorine atoms
Faculty Daniel Williams is a professor of chemistry and Benjamin Huck is the laboratory coordinator who helped with instrument instruction and data collection
Student Donald VanDerveer is an X-ray crystallographer at Clemson University and instructed the student researchers in how to do an X-ray structure. Carol Brevett is a contract chemist with SAIC at Aberdeen Proving Ground, MD and provided the C-13 solid state NMR data for the paper. Anna Hutchings, Natalia McConnell, and Roland Faucher did the synthesis and characterization as part of a directed study project that followed up on work they started in a synthetic inorganic chemistry course. The course has a built-in research component that has the goal of making and characterizing an inorganic compound which has never been made before. Both Hutchings and McConnell are in medical school, and Faucher is in pharmacy school
Fund Partial funding came from the U.S. Army Research Directorate in supporting the NMR and from Clemson University
 
( 62 )   Recorded at: 11/6/2007      
Title Computational design and experimental discovery of an anti-estrogenic peptide derived from alpha-fetoprotein
Journal J Am Chem Soc, 2007;129:6263-6258, Kirschner KM, Lexa KW, Salisburg AM, Alser KA, Joseph L, Andersen TT, Bennett JA, Jacobsen HI, Shields GC.
Description The Hamilton researchers used replica exchange molecular dynamics simulations to design peptides that they predicted would be effective lead compounds for breast cancer research. The Albany Medical College researchers subsequently synthesized the predicted molecules and showed that they were indeed potential anti-breast cancer compounds in animal systems. The peptides interact with a novel target in breast cancer, complementing tamoxifen's inhibition of the estrogen receptor
Faculty George Shields is a professor of chemistry. Karl Kirschner is the Co-Director of the Center for Molecular Design at Hamilton College. Thomas Andersen, James Bennett and Herbert Jacobsen are professors at Albany Medical College
Student Leroy Joseph is a graduate student at Albany Medical College. Katrina Lexa participated in this research the summers after her freshman and junior years, continued the work as her senior thesis project, and then continued research each of the following two summers. She is currently in graduate school in medicinal chemistry at the University of Michigan. Amanda Salisburg and Katherine Alser participated in this research in the summers after their freshman and sophomore years. Salisburg is a senior chemistry major and Alser is a junior chemistry major
Fund The research was supported through grants from MERCK/AAAS, NYS-BCRF, DOD-BCRP, NIH-NCI, NSF-RUI, and NSF-MRI
 
( 63 )   Recorded at: 11/6/2007      
Title Hybrid molecular dynamics-quantum mechanics simulations of solute spectral properties in the condensed phase: evaluation of simulation parameters
Journal J Comput Chem, 2007;28:1572-1581, Zwier MC, Shorb JM, Krueger BP
Description A hybrid molecular dynamics and quantum mechanics (MD-QM) method has been recently developed to examine solvation dynamics in condensed phase systems including those of biological interest, e.g. cofactors in proteins that are critical to electron transfer. However, the underlying dependence of this MD-QM method on computational parameters is largely untested. A simple dye-in-solution model was used to examine the effects of several basic computational parameters (MD trajectory length, sampling interval, QM model chemistry) on the MD-QM results providing future researchers with the data needed to weigh cost versus accuracy when utilizing this promising new method
Faculty Brent Krueger is an associate professor of chemistry
Student Matthew Zwier and Justin Shorb worked on aspects of this project over several years of their undergraduate careers including research during REU-supported summers as well as the academic year. Matt is a Research Programmer at the University of Illinois at Urbana-Champagne. Justin is a graduate student in chemistry at the University of Wisconsin at Madison
Fund The research was supported by the National Center for Supercomputing Applications, Research Corporation, the Howard Hughes Medical Institute, and the National Science Foundation
 
( 64 )   Recorded at: 11/6/2007      
Title Fretting about FRET: Correlation between ? and R
Journal Biophys J, 2007;92:4168-4178, VanBeek DB, Zwier MC, Shorb, JM, Krueger BP
Description Fluorescence-detected Resonance Energy Transfer (FRET) is a structural biology method that was widely used in the 1970's and has gained renewed interest with many techniques including high-throughput assays, whole-cell imaging, and single-molecule fluorescence. In all of these applications, detailed analysis of the data requires multiple approximations, which are suspect in many cases. Molecular dynamics simulations were used to examine a typical FRET system, revealing that the motions of the donor and acceptor fluorophores are strongly correlated. This correlation leads to the breakdown of several approximations, including one that is considered so robust that is it rarely discussed in FRET analysis
Faculty Brent Krueger is an associate professor of chemistry
Student Darren VanBeek, Matthew Zwier and Justin Shorb worked on aspects of this project over several years of their undergraduate careers including research during REU-supported summers as well as the academic year. Darren is currently a MD-PhD student at the Feinberg School of Medicine of Northwestern University. Matt is a Research Programmer at the University of Illinois at Urbana-Champagne. Justin is a graduate student in chemistry at the University of Wisconsin at Madison
Fund The research was supported by Research Corporation, the American Chemical Society - Petroleum Research Fund, the Howard Hughes Medical Institute, the National Science Foundation, and the National Center for Supercomputing Applications. In addition, Darren was supported by the Beckman Foundation and by Merck and Co.
 
( 65 )   Recorded at: 11/6/2007      
Title Dipyrromethane +dipyrromethanedicarbinol routes to an electron deficient meso-substituted phlorin with enhanced stability
Journal J Org Chem, 2007;72:4084-4092, O’Brien AY, McGann JP, Geier GR III
Description Two dipyrromethane + dipyrromethanedicarbinol routes to a meso-substituted phlorin bearing electron withdrawing pentafluorophenyl substituents were investigated. Reaction conditions were found that afforded the target phlorin in an isolated yield of 45%, and dilute solutions of the phlorin were found to be quite stable upon exposure to light and air. This work contributes an efficient synthesis of a meso-substituted phlorin of practical stability while providing further insights towards the adaptation of dipyrromethane-carbinol chemistry to the preparation of diverse porphyrinoids
Faculty Anna O’Brien is a teaching-research postdoctoral fellow who will be starting a tenure stream position as an assistant professor of chemistry at Le Moyne College in the fall. Rick Geier is an associate professor of chemistry
Student John McGann participated in the research the summer after his junior year and then continued it as his required senior year research project. He is now a chemistry graduate student at Carnegie Mellon University
Fund The research was initially supported by a grant from ACS-PRF and later by a NSF-RUI grant
 
( 66 )   Recorded at: 11/6/2007      
Title Fiber optic spectroelectrochemical sensing for in situ determination of metal ions
Journal Spectrosc Lett, 2007:40:501-511, Flowers, PA, Arnett, KA
Description In situ chemical sensing techniques are increasingly used for a variety of applications ranging from industrial process control to the on-site detection of explosives and chemical and biological weapons. This article reports progress made by the authors on development of fiber optic based sensors for in situ absorbance and fluorescence measurements that employ spectroelectrochemical transduction schemes
Faculty Paul Flowers is a professor of chemistry
Student Kristen Arnett worked on this research project both for academic credit and as a paid research assistant from the summer of 2005 through the summer of 2006. She is presently a senior chemistry major and is continuing research on a closely related project
Fund Support of this work was provided by the National Science Foundation’s Research Experiences for Undergraduates program (CHE-0353724).
 
( 67 )   Recorded at: 11/6/2007      
Title Concept learning versus problem solving: Does particle motion have an effect?
Journal JChem Ed, 2007;84:875-879, Sanger MJ, Campbell E, Felker J, Spencer C
Description Students’ responses to a static molecular-level multiple-choice gas law question were evaluated before and after they had viewed an animated version of the question. The distribution of student responses to the static question was similar to previous reports. However, after viewing the animation, more students chose the correct answer, fewer students chose each incorrect option, and more students changed their choices to the correct answer than to an incorrect option. These results support the hypothesis that seeing how the particles moved within the container is critical to answering the question correctly
Faculty Michael Sanger is a professor of chemistry
Student Eddie Campbell, Jeremy Felker, and Charles Spencer participated in this independent study project in their junior year. Campbell is still enrolled as an undergraduate, and Felker and Spencer are currently in graduate school.
 
( 68 )   Recorded at: 11/6/2007      
Title A concise synthesis of substituted benzoates
Journal Arc Org Chem (Arkivoc), 2007;xii:43-54, Carbaugh AD, Vosburg W, Scherer TJ, Castillo CE, Christianson MA, Kostarellas J, Gosai SJ, Leonard MS
Description Cycloaromatization, via tandem cycloaddition – extrusion of carbon dioxide, between methyl isodehydroacetate or methyl coumalate and a variety of alkyne dienophiles has been investigated. This method provides an efficient synthesis of methyl 4-hydroxymethyl-2,6-dimethylbenzoate, a key intermediate in the preparation of retinal-based molecular probes
Faculty Michael Leonard is an assistant professor of chemistry
Student Ashley Carbaugh, Wesley Vosburg, Christopher Castillo, Matthew Christianson, Jennifer Kostarellas, and Sager Gosai participated in this research as a summer and/or an independent study project. Tamara Scherer participated in this project via the ACS Project SEED program. Ashley is currently a senior. Wesley is currently enrolled in medical school. Tamara is currently a junior at Westminster College. Christopher is currently pursuing a Master’s degree at Drexel University. Matthew is pursuing a career in optometry. Jennifer and Sager are currently exploring their career options
Fund This research was supported by the W&J College Faculty and Staff Entrepreneurial Fund and the HHMI Undergraduate Science Program Education Grant (71100-552202) at W&J College. The ACS Project SEED program was supported by donations from Bayer MaterialScience LLC, Eastman Chemical Company, Ferro Corporation, LabChem, Inc., Lexicon Pharmaceuticals, PPG Industries, the Project SEED Endowment, and Westinghouse
 
( 69 )   Recorded at: 11/6/2007      
Title A convenient procedure for the esterification of benzoic acids with phenols: a new application for the Mitsunobu reaction
Journal Tetrahedron Lett, 2007;48:3553-3557, Fitzjarrald VP, Pongdee R
Description A new method for the esterification of benzoic acids with phenols was described utilizing Mitsunobu reaction conditions. A number of differentially-functionalized phenols and benzoic acids were examined. It was found that the reaction is tolerant of both electron-donating and withdrawing groups on both reaction partners. Furthermore, ortho-substituted phenols and benzoic acids also provided the desired substituted phenyl esters in good yields
Faculty Rongson Pongdee is an assistant professor of chemistry
Student Victor Fitzjarrald participated in this research during the 2006/2007 academic year and is currently pursuing a PhD in the Department of Chemistry at the University of Utah
Fund The research was supported through The Colorado College
 
( 70 )   Recorded at: 11/6/2007      
Title Variations in the coordination environment of Co2+, Cu2+ and Zn2+ complexes prepared from a tridentate (imino)pyridine ligand and their structural comparisons
Journal Inorg Chim Acta, 2007;360:3061-3068, Davis RN, Tanski JM, Adrian JC, Tyler LA
Description Analogous syntheses were carried out utilizing either M(BF4)2 · XH2O or MCl2 XH2O metal salts (where M = Co(II), Cu(II) or Zn(II)) with the tridentate ligand bis[1-(cyclohexylimino)ethyl]pyridine (BCIP). When the hydrated BF4- metal starting material was used, cationic, octahedral complexes of the type [M(BCIP)2]2+ were isolated as the tetrafluoroborate salt. Conversely, when the hydrated chloride metal salt was used as the starting material, only neutral, pentacoordinate [M(BCIP)Cl2] complexes formed. The five reported complexes were characterized by X-ray diffraction studies as well as UV/vis and IR spectroscopy with 1H NMR spectroscopy being used for the analysis of the Zn(II) analogue
Faculty Joseph Tanski is a professor of chemistry at Vassar College. Jim Adrian and Laurie Tyler are chemistry professors at Union College
Student Renée Davis performed this research as part of her senior thesis project. She is currently a graduate student in the Chemistry Department at Rensselaer Polytechnic Institute
Fund This research was supported by Union College (LAT) and a NSF grant (JMT)
 
( 71 )   Recorded at: 11/6/2007      
Title Solvent-solute interactions of isomeric phthalaldehydes in aqueous solutions
Journal J Mol Liq, 2007;131-132:24-28, Baymak MS, Kulla E, Zuman P
Description Three isomeric phthalaldehydes differ in the covalent hydration in water. Isophthalaldehyde (1,3-benzenedicarboxaldehyde) is like most other benzaldehydes less than 3% hydrated and one formyl group is terephthalaldefhyde (1,4-isomer) is 24% hydrated. Orthophthalaldehyde is present 15% in unhydrated, 5% in acyclic monohydrated form and 80% as a cyclic hemiacetal. Equilibria were determined by electroanalytical and spectroscopic techniques
Faculty Petr Zuman is a Distinguished Emeritus Research Professor
Student Melek Sirin Baymak was a graduate student
Fund and Eliona Kulla was an undergraduate student participating in this project during the summers of 2005 and 2006. Eliona Kulla is now a graduate student in the Department of Chemistry
 
( 72 )   Recorded at: 11/6/2007      
Title A computational investigation of cyclic knotted alkanes: cyclo-C27H54 is a stable trefoil knot
Journal J Undergrad Chem Res, 2007; 6:29-33, McLaughlin SE, Sugrue HD, Zoellner RW
Description Cyclic alkanes, each containing a single trefoil knot, were examined using Hartree-Fock methods. Knots smaller than cyclo-C27H54 were not stable and either rearranged to eliminate the knotted portion of the molecule, or exhibited imaginary vibrational frequencies and unreasonably long carbon-carbon bonds. The stable trefoil-knotted molecules exhibited carbon-carbon lengthening at the points where the alkane chain entered the knotted portion of the molecule
Faculty Robert Zoellner is professor and chair of the Department of Chemistry
Student Stephanie McLaughlin finished this project during her junior and senior years and is employed as a biochemical researcher while awaiting entry into medical school, Holly Sugrue began this project as a first-year college student and is the co-owner of a restaurant
Fund The project was funded, in part, by an NSF-CCLI grant
 
( 73 )   Recorded at: 11/6/2007      
Title Activity of a second Trypanosoma brucei hexokinase is controlled by an 18 amino acid C-terminal tail
Journal Eukaryot Cell, 2006;5:2014-2023, Morris MT, DeBruin C, Yang Z, Chambers JW, Smith KS, Morris JC
Description Trypanosoma brucei expresses two hexokinases that are 98% identical, TbHK1 and TbHK2, with seven of the ten amino acid differences between the proteins found within the C-terminal 18 amino acids. In contrast to TbHK1, recombinant TbHK2 lacks detectable enzymatic activity. The altered C-terminal tail in TbHK2, along with the phenotype of TbHK2 knockout parasites, suggest a distinct function for the protein
Faculty Meredith T. Morris is an assistant research professor, James C. Morris is an assistant professor. Kerry Smith is an associate professor in the Department of Genetics and Biochemistry. Zhaoqing Yang is a professor of parasitology at Kunming Medical College in Kunming Yunnan, PR China
Student Jeremy Chambers is a graduate student. Courtney DeBruin was a key participant in this project, working 4 semesters during her junior and senior years to complete her Honors research project at Clemson University
Fund The research was supported by the Clemson Calhoun Honors College and Clemson University
 
( 74 )   Recorded at: 11/6/2007      
Title Estrogen dependent growth and estrogen receptor (ER)-alpha concentration in T47D breast cancer cells are inhibited by VACM-1, a cul-5 Gene
Journal Mol Cell Biochem, 2006:DOI: 10.1007/s11010-006-9392-3, Johnson AE, Le IP, Buchwalter AL, Burnatowska-Hledin MA
Description We examined the effects of Vasopressin-activated calcium mobilizing receptor (VACM-1)/cullin 5 on estrogen-dependent growth in T47D cells and on estrogen receptor (ER) concentrations. Our results demonstrate that VACM-1 cDNA inhibits both basal and 17ß-estradiol-dependent increase in cell growth and MAPK phosphorylation. In addition, we have found that ER concentrations and its nuclear localization are significantly lower in cells with VACM-1. These data indicate that VACM-1 inhibits growth by attenuating estrogen-dependent signaling responses
Faculty Maria Burnatowska-Hledin is a professor of biology and chemistry
Student Alyssa Johnson is currently an undergraduate with plans to attend graduate school in biochemistry. Isabelle Le is a medical student at Wayne State University and Abby Buchwalter is a biochemistry graduate student at Washington University. Alyssa, Isabelle and Abby participated in this work in the 2004 and 2005 NSF-REU summer program at Hope College and continued the work during the intervening year for academic credit
Fund This research was supported by an NIH grant, the Camille and Henry Dreyfus Foundation Teacher Scholar Award and the Merck/AAAS Undergraduate Science Research Program Award to Hope College
 
( 75 )   Recorded at: 11/6/2007      
Title Lead contamination in imported candies and their wrappers
Journal Tex J Sci, 2006; 58(4):343-348, Looney MM, Mauk DA, Puga M, Sadow J
Description Imported Mexican candies and their wrappers were analyzed using atomic absorption spectrophotometry for their lead content. Nearly 10% of the products tested had either lead contamination in their wrapper on in the candy itself. Monitoring in this field is very important, especially since the products are traditionally marketed to children
Faculty Michael Looney is a professor of chemistry and provost. Jennifer Sadow is instructor of chemistry at North West Vista College in San Antonio
Student David Mauk participated in the research project the summer between his junior and senior years; he is currently in medical school. Miguel Puga participated during the summer of after his freshman year is still a student at Schreiner
Fund The research was supported by a grant from the Robert A. Welch Foundation
 
( 76 )   Recorded at: 11/6/2007      
Title An improved HPLC method for determination and quantification of D- and L-aspartic acid
Journal D-Amino Acids: A New Frontier in Amino Acids and Protein Research – Practical Methods and Protocols, 2007, Chapter 2.6, pp 59-64, Galindo E, Tsesarskaia M, Lopez S, Boston C, D’Aniello A, Fisher G
Description D-Aspartic acid (D-Asp) is an endogenous amino acid that occurs in the central nervous system and endocrine glands of vertebrates and invertebrates. D-Asp is also the precursor molecule for the biosynthesis of N-methyl-D-aspartate (NMDA), which is involved in the learning and memory processes. With growing interest in D-Asp in biological/ physiological tissues, an accurate and quick method for determination and quantification of D- and L-Asp has become of great importance. We report here a method that gives better resolution of the D- and L- enantiomers of Asp in shorter time than previous methods
Faculty George Fisher is professor of chemistry and Mara Tsesarskaia is a research associate.
Student Erika Galindo developed this method as an undergraduate at Barry University, Miami, FL; she is now in pharmacy school at Nova Southeastern University. Susana Lopez and Collins Boston tested and verified the method while they were undergraduates. Susana is now a chemistry graduate student at Florida State University and Collins is a chemistry graduate student at Florida Atlantic University. Antimo D’Aniello is a D-Asp researcher at the Zoological Station of Naples, Italy
Fund This research was funded by MBRS-SCORE and MARC grants from NIH.
 
( 77 )   Recorded at: 11/6/2007      
Title Immuno-targeting of non-ionic surfactant vesicles to inflammation
Journal Int J Pharm, 2007;doi:10.1016/j.ijpharm.2006.12.048, Hood E, Gonzalez M, Plaas A, Strom J, VanAuker M
Description A novel process is described for combination and modification of surfactants used to comprise non-ionic surfactant vesicles which can then be used for antibody targeting for drug therapy. These particles were shown to bind to inflamed synoviocytes with great selectivity and specificity by targeting an adhesion molecule upregulated with inflammation
Faculty Michael VanAuker is a faculty member in the Department of Chemical Engineering and Joel Strom is a professor of Medicine. Anna Plaas is a faculty member in Biochemistry at Rush University Medical Center in Chicago
Student Elizabeth is a biomedical engineering graduate student, and Monica Gonzalez is an undergraduate student who synthesized niosomes of different compositions and studied their stability and release characteristics.
Fund Monica’s research was supported through an NIH-funded MARC U-STARS grant.
 
( 78 )   Recorded at: 11/6/2007      
Title A predicted N-terminal helical domain of a Group 1 LEA protein is required for protection of enzyme activity from dryin
Journal Plant Physiol Bioch, 2007; 45:389-399, Gilles GJ, Hines KM, Manfre AJ, Marcotte Jr WR
Description A recombinant Group 1 LEA protein was purified and shown to be capable of protecting the enzyme lactate dehydrogenase from the deleterious effects of drying in an in vitro assay. Various altered recombinant Group 1 LEA proteins were also evaluated and the results suggest that the highly conserved 20 amino acid Group 1 LEA signature motif is not required for protection in the in vitro assay. However, introduction of two juxtaposed proline residues into an N-terminal helical domain predicted to exist in the hydrated structure significantly compromises the ability of the recombinant protein to provide protection from drying. These results suggest that the N-terminal domain of Group 1 LEA proteins may be important for proper folding during dehydration
Faculty William R. Marcotte, Jr. is an associate professor of genetics and biochemistry.
Student Gregory J. Gilles participated in this research as part of his MS in Biochemistry (awarded May 2005) and is now working in industry. Kelly M. Hines participated in this research during the summer after his undergraduate junior year and continued it during his senior year (2005-2006) as part of the requirements for the BS in Biochemistry. He is currently attending medical school. Alicia J. Manfre participated in this research as part of her PhD in Genetics degree (awarded December 2005) and is currently conducting postdoctoral research
Fund The research was supported by the US Department of Agriculture National Research Initiative, the SC Agricultural Experiment Station, and by the Howard Hughes Medical Institute Biological Sciences Education Program through the SC-LIFE Undergraduate Research Program
 
( 79 )   Recorded at: 11/6/2007      
Title Ninhydrin as a building block for yohimbanones, ß-carbolines, and oxyprotoberberines
Journal Tetrahedron Lett, 2007;48:599-602, Tomasevich LL, Kennedy NM, Zitelli SM, Hull RT II, Gillen CR, Lam SK, Baker NJ, Rohanna JC, Conley JM, Guerra ML, Starr ML, Sever JB, Carroll PJ, Leonard MS
Description Condensation of ninhydrin with tryptamide or tryptamine followed by Lewis acid-induced rearrangement provided yohimbanones that were readily converted to beta-carbolines via oxidative ring cleavage. The analogous condensation-rearrangement with 3,4-dimethoxyphenethylamine and ninhydrin afforded an oxyprotoberberine, which was further oxygenated at the 13a position
Faculty Michael Leonard is an assistant professor of chemistry at Washington & Jefferson College. Patrick Carroll is the director of the X-ray crystallography facility at the University of Pennsylvania
Student Laura Tomasevich, Nicole Kennedy, Stephen Zitelli, Chelsey Gillen, Suet Lam, Neal Baker, John Rohanna, Jason Conley, Marcy Guerra, Mari Lynne Starr, and Justine Sever participated in this research as a summer and/or an independent study project. Richard Hull participated in this project via the ACS Project SEED program. Laura is currently a senior at W&J. Nicole, Chelsey, and Mari Lynne are employed in industry. Stephen, Neal, and Justine are enrolled in medical school. Suet is pursuing a Master’s degree in public health. John is pursuing a PhD at the University of Utah. Jason and Marcy are pursuing PhDs at Purdue. Richard is a sophomore at Slippery Rock University
Fund The research was supported by the HHMI Undergraduate Science Program Education Grant (71100-552202) at W&J College and the W&J College Faculty and Staff Entrepreneurial Fund. The Project SEED program was supported by donations from Bayer MaterialScience LLC, Eastman Chemical Company, Ferro Corporation, LabChem, Inc., Lexicon Pharmaceuticals, PPG Industries, the Project SEED Endowment, and Westinghouse
 
( 80 )   Recorded at: 11/6/2007      
Title Unimolecular reactions of vibrationally excited CF2ClCHFCH3 and CF2ClCHFCD3: Evidence for the 1,2-FCl Interchange Pathway
Journal J Phys Chem A, 2007, 111, 2283-2292, Burgin MO, Simmons JG Jr, Heard GL, Setser DW, Holmes BE
Description A novel unimolecular reaction of HCFCs that interchanges F and Cl on adjacent carbons was reported. Experimental rate constants and kinetic isotope effects were measured for CF2ClCHFCH3 and CF2ClCHFCD3 and electronic structure calculations (DFT) were used to model the mechanism and unimolecular reaction rates. This is the third case reported by the laboratory of the FCl interchange reaction in energized HCFCs
Faculty Bert Holmes and George Heard are professors of chemistry at the University of North Carolina at Asheville; recently they have been collaborating with Don Setser who is retired from Kansas State University.
Student
 
( 81 )   Recorded at: 11/6/2007      
Title Mechanism of the inverse-electron demand Diels-Alder reaction of 2-aminopyrroles with 1,3,5-triazines: detection of an intermediate and effect of added base and acid.
Journal Tetrahedron Lett, 2007;48:2975-2977, De Rosa M, Arnold D
Description In base, a 2-aminopyrrole reacted with a 1,3,5-triazine to give a zwitterion (Meisenheimer complex). This is the first example in which such an intermediate has been detected in an inverse-electron demand Diels-Alder reaction of pyrroles or 2-aminopyrroles. Acid promoted its conversion to the pyrrolo[2,3-d]pyrimidine. A cascade mechanism with reversible steps is proposed to explain why both a base and an acid are needed for the cycloaddition to occur
Faculty Michael De Rosa is a professor of chemistry
Student David Arnold carried out undergraduate research over the course of four years. He is currently a graduate student at the University of Pittsburg
Fund The research was supported through a NSF-RUI grant
 
( 82 )   Recorded at: 11/6/2007      
Title Novel syn intramolecular pathway in base-catalyzed 1,2-elimination reactions of ß-acetoxy esters
Journal J Org Chem, 2007;72:793-798, Mohrig JR, Carlson HK, Coughlin JM, Hofmeister GE, McMartin LA, Rowley EG, Trimmer EE, Wild AJ, Schultz SC
Description As part of a comprehensive study of the factors that determine the 3D chemistry of elimination reactions, we observed a new syn intramolecular pathway. This was shown to be the case by analyzing the 2H NMR spectra of products from stereospecifically-deuterated acetoxy and trimethylacetoxy ester and thioester subtrates, where steric factors strongly hinder intramolecular syn elimination of the trimethylacetoxy substrates
Faculty Jerry Mohrig is professor of chemistry emeritus. Steve Schultz has taught at the University of Colorado and at Dine' College in Arizona
Student The research of the eight undergraduate co-authors was carried out during the summers following their sophomore and junior years and often continued as independent studies during the academic year. Gretchen Hofmeister and Elizabeth Trimmer are currently teaching at Carleton College and Grinnell College, respectively. Elizabeth Rowley and Lea McMartin are employed in industry. Jane Coughlin, Hans Carlson and Andrew Wild are in graduate school
Fund The research was funded through NSF-RUI and ACS-PRF grants
 
( 83 )   Recorded at: 10/24/2007      
Title Transition metal halide salts of N-methylmorpholine: synthesis, crystal structures and magnetic properties of N-methylmorpholinium salts of copper(II), cobalt(II) and manganese(II).
Journal Inorg Chim Acta, 2007;360:1143-1153, Parent AR, Landee CP, Turnbull MM
Description A family of transition metal halide salts of N-methylmorpholine were synthesized and their crystal structures and magnetic properties determined. The six compounds are an isomorphous family and pack as chains of CuX42- ions, separated by the morpholinium cations. Magnetic measurements show only very weak interactions between the metal ions and were predicted based upon the interionic distances seen in the crystal lattice
Faculty Mark Turnbull and Chris Landee are professors of chemistry and physics (respectively).
Student Alex Parent is a current junior at Clark who began doing research during the fall of his freshman year. He has recently returned from a semester in Japan to continue his research in the area of molecular magnetism and the design and synthesis of low-dimensional magnetic materials
Fund Funding for the project was provided by the NSF, Kresge Foundation, PCISynthesis Inc., and a James and Ada Bickman Summer Research Fellowship for Alex.
 
( 84 )   Recorded at: 10/24/2007      
Title Magnetothermal transport in the spin ½ chains of copper pyrazine dinitrate
Journal Phys Rev Lett, 2007;98:107201, Sologubenko AV, Berggold K, Lorenz T, Rosch A, Shimshoni E, Phillips MD, Turnbull MM
Description The work involved measuring the thermal transport properties of a linear chain coordination polymer as a function of temperature and applied magnetic field. Results show that the thermal conductivity of the material is not only different as a function of the orientation of the thermal transport direction with respect to the crystal field, but also a function of the magnetic state of the material
Faculty A Sologubenko, K. Berggold and T. Lorenz are at the Physikalisches Institut, Universitat zu Koln in Koln (Germany). A. Rosch is at the Institut fur Theoretische Physik (also in Koln) and Prof. Shimshoni is in the Dept. of Mathematics-Physics at the University of Haifa at Oranim (Israel). Mark Turnbull is a professor of chemistry.
Student Matt Phillips participated in the research as part of a senior thesis project in crystal growth at Clark, producing the multiple, high-quality samples needed for the study. He is currently in his first year of medical school at the University of Texas – Galveston.
Fund Funding for the US contributions to the project was provided by Clark University
 
( 85 )   Recorded at: 10/24/2007      
Title Synthesis, structure and magnetic properties of an antiferromagnetic ladder complex: bis (2,3-dimethylpyridinium) tetrabromocuprate
Journal J Am Chem Soc, 2007;129:952-9, Shapiro A, Landee CP, Turnbull MM, Jornet J, Deumal M, Novoa JJ, Robb M, Lewis W
Description A coordination complex was prepared which provides the second reported example of a magnetic ladder in the weak-exchange limit. The structure of the compound was confirmed by single-crystal X-ray diffraction. Temperature dependent magnetization measurements and ab initio theoretical calculations show outstanding agreement for the magnetic properties of the material
Faculty Mark Turnbull and Chris Landee are professors of chemistry and physics (respectively). Juan Novoa is a professor of chemistry at the University of Barcelona (Spain) with his research colleague Mercè Deumal and graduate student Joaquim Jornet. Mike Robb is a professor of chemistry at Imperial College in London (England)
Student William Lewis was a graduate student at the University of Canterbury in Christchurch (New Zealand). Alex Shapiro was a physics major at Clark who conducted the synthesis and magnetic analysis of the compound as part of his senior honors thesis
Fund Funding for the project was provided by the NSF, Kresge Foundation, PCISynthesis Inc., and an Albert C. Erickson Summer Research Fellowship for Alex
 
( 86 )   Recorded at: 10/24/2007      
Title Experimental determination of the H2SO4/(NH4)2SO4/H2O phase diagram.
Journal J Phys Chem A, 2007;111:479-494, Beyer KD, Bothe J, Burrmann N
Description The water and sulfuric acid-rich regions of the H2SO4/(NH4)2SO4/H2O ternary liquid/solid phase diagram were experimentally determined using thermal analysis and FTIR spectroscopy. The liquid/solid ternary phase diagram has been mapped for temperatures below 373 K and H2SO4 concentrations below 60 wt%. A significant result of this research is the discovery of discrepancies between the predictions of the Aerosol Inorganics Model and experimental observations. These results have implications for understanding cirrus cloud formation
Faculty Keith Beyer is a professor of chemistry
Student Jameson Bothe participated in this research during his sophomore and junior year at UW-L, and is currently a senior chemistry major. Nicola Burrmann participated in this research during her junior year at Wisconsin Lutheran College. She is currently a PhD candidate in chemistry at the UW-Madison
Fund This research was supported by an NSF-RUI grant
 
( 87 )   Recorded at: 10/24/2007      
Title Synthesis and structure of a novel copper (II) nitrate complex of 2,4-dioxo-4-phenylbutanoic acid
Journal J Chem Cryst, 2007;37:81-86, Landry BR, Turnbull MM
Description The title compound was prepared as part of a broad effort in synthesis of molecular magnetic materials. The principal question was whether the ligand would bind the metal ion in the carboxylic acid or acetylacetone site. To assist in analyzing the structure, a computer program for determining the overall geometry via the Continuous Symmetry Method was developed
Faculty Mark Turnbull is a professor of chemistry
Student Brian Landry conducted the research as part of his honors thesis work. He is currently a graduate student in Chemical Physics at Harvard
Fund His work on the project was funded by a Pfizer Research Fellowship
 
( 88 )   Recorded at: 10/24/2007      
Title Enantioselective ?-oxytosylation of ketones catalysed by iodoarenes
Journal Synlett, 2007;4:538-542, Richardson RD, Page TK, Altermann S, Paradine SM, French AN, Wirth T
Description Initial investigations into catalytic reactions using in situ-generated chiral hypervalent iodine reagents were reported. It is believed that this is the first report of stereoselective catalytic reactions employing hypervalent iodine reagents. Several iodoarenes that had previously been unable to be isolated in the hypervalent form were successfully employed as catalysts, with MCPPA as a co-oxidant, in the ?-oxytosylation of propiophenone, with moderate levels of stereoselectivity. The scope of this reaction was also investigated using a range of ketones; several of these gave products that were obtained with yields and selectivities comparable to that of propiophenone
Faculty Andrew N. French is an associate professor of chemistry and has collaborated with Thomas Wirth, professor of organic chemistry at Cardiff University, Wales, UK for the past 8 years.
Student Keri Page and Sabine Altermann were PhD students at Cardiff University at the time this research took place, and Robert Richardson was a post-doctoral fellow in the Wirth lab. Shauna M. Paradine of Albion College participated in this research at Cardiff University the summer after her sophomore year after completing a summer of research at Albion College following her freshman year. Shauna is still enrolled at Albion College and is spending the summer of 2007 at the University of Mainz, Germany as an ACS-RISE Scholar
Fund This research was supported by EPSRC, NSF (INT) and Albion College (FDC and FURSCA).
 
( 89 )   Recorded at: 10/24/2007      
Title Application of calibrated peer review (CPR) writing assignments to enhance experiments with an environmental chemistry focus
Journal J Chem Educ, 2007;84:292-295, Margerum LD, Gulsrud M, Manlapez R, Rebong R, Love A
Description This project made use of an atomic absorption spectrophotometer (AAS) and web-based writing-to-learn technology (Calibrated Peer Review, CPR) to create environmental-general chemistry laboratory projects. The objectives of the project were to improve conceptual understanding, to develop skills in quantitative analysis, reading for content and in scientific writing. These goals were met based on student results from a lead paint standard and on statistical data from the CPR program for over 400 student writing samples
Faculty Lawrence Margerum is a professor of chemistry
Student Maren Gulsrud and Ron Manlapez participated in this research via NSF funding in the summers and fall of 2002 and 2004, respectively. Both are employed by Bay Area research firms. Rachelle Rebong and Austin Love carried out research the summer after their freshman year (2003) and are applying to professional health programs.
Fund The research was supported through an NSF-CCLI grant with matching funds from The Lily Drake Fund and the USF Faculty Development Fund.
 
( 90 )   Recorded at: 10/24/2007      
Title Using Fourier transform infrared spectroscopy to examine structure in bisurea organogels
Journal Appl Spectrosc, 2007;61:379-387, Pierce AM, Maslanka PJ, Carr AJ, McCain KS
Description Organogelators are molecules which self-assemble in organic solvents to produce a material with solid-like rheology. FT-IR was used to determine the extent of hydrogen bonding between urea groups and the relative number of conformational defects in the dodecyl tail groups of the organogelator. It was found that the overall structural order of the gel decreased with increasing concentrations of organogelator which is explained by their faster gelation kinetics.
Faculty Andrew Carr is an associate professor of chemistry and Karla McCain is an assistant professor of chemistry
Student P.J. Maslanka participated in synthesis portion of this research during the summer after his sophomore year and is currently in medical school at UT Galveston
Fund The research was supported by the Robert A. Welch Foundation and Austin College.
 
( 91 )   Recorded at: 10/24/2007      
Title Factors affecting the relative stability of a series of iminium cation stereoisomers
Journal Theochem-J Mol Struc, 2007;806(1-3):223-230, Hsueh P, Lukowski M, Lindsay HA, Milletti MC
Description Iminium ions are intermediates in a number of different nucleophilic additions, sigmatropic rearrangements, and cycloaddition reactions. Molecular orbital calculations are used to determine the relative stability of iminium cation isomers as a function of a series of variables, including double bond geometry, size of the pyrrolidine substituent, and the carbinol carbon relative stereochemistry. We believe this work to be the first investigation of the relative stability of iminium cations as a function of structural parameters
Faculty Maria Milletti and Harriet Lindsay are on the faculty in the Department of Chemistry.
Student Powen Hsueh and Mark Lukowski started this project following their freshman year. Powen has since graduated and is currently employed in industry. Mark is an undergraduate currently completing his junior year
 
( 92 )   Recorded at: 10/24/2007      
Title Enhanced conductivity of thin film polyaniline by self assembled transition metal complexes
Journal Langmuir, 2007;23:879-884, Sarno DM, Martin JJ, Hira SM, Timpson CJ, Gaffney JP, Jones WE Jr
Description A series of transition metal complexes were bound to pyridine terminated self-assembled monolayers on quartz surfaces. A thin film of polyaniline was then deposited on top of the metal-modified quartz surface. The resulting sheet conductivities of the thin polyaniline films deposited on the metal-modified surfaces were significantly enhanced relative to identical films deposited on unmodified quartz surfaces. This is the first report of a potentially important method of enhancing the sheet conductivity of industrially important conductive polymers
Faculty WE Jones is an associate professor of chemistry at SUNY Binghamton. CJ Timpson is an associate professor at Roger Williams University
Student DM Sarno and JJ Martin recently received their PhD’s from SUNY Binghamton. DM Sarno is currently at Queensboro Community College. JJ Martin is currently seeking a post-doctoral position. Steven M. Hira was an RWU undergraduate conducting summer research in the Jones laboratory as part of the NSF-REU program (Summer ‘04) and Jean P. Gaffney was a SUNY Binghamton undergraduate who made significant contributions to the project throughout her senior year (‘05–‘06). Hira is currently a graduate student at Florida State University and Gaffney is currently a graduate student at Yale University
Fund This work was supported in part by NSF-REU and by a generous grant from the Integrated Electronics Engineering Center (IEEC) at SUNY Binghamton
 
( 93 )   Recorded at: 10/18/2007      
Title Generation and reactions of pentacyclo[4.3.0.02,4.03,8.05,7]non-4-ene
Journal J Org Chem, 2007;72:2996-3005, Forman MA, Moran C, Herres JP, Stairs J, Chopko E, Pozzessere A, Kerrigan M, Kelly C, Lowchyj L, Salandria K, Gallo A, Loutzenhiser E
Description The highly pyramidalized alkene, pentacyclo[4.3.0.02,4.03,8.05,7]non-4-ene, was generated and trapped as its Diels-Alder adduct with 1,3-diphenylisobenzofuran, 2,5-dimethylfuran, and spiro[2.4]hepta-4,6-diene via alkyllithium-induced dehalogenation. Products resulting from alkyllithium addition to the pyramidalized double bond of this alkene were also isolated and fully characterized spectroscopically. Pentacyclo- [4.3.0.02,4.03,8.05,7]non-4-ene is one of the most highly pyramidalized alkenes ever synthesized.
Faculty Mark Forman is associate professor of chemistry
Student Each of the undergraduate student coauthors participated in the research the summers after their sophomore and junior years as part of the Saint Joseph’s University Summer Scholars Program and continued it as a senior thesis project. Jason Stairs received a PhD in physical chemistry, and Emily Chopko and Lisa Lowchyj received a MS degree in organic chemistry. Annemarie Gallo received a MD. Michael Kerrigan is currently pursuing a PhD in organic chemistry, and Elizabeth Loutzenhiser and Carisa Kelly are employed in industry. Caitlin Moran and Anthony Pozzessere will pursue MDs in the fall.
Fund This research was supported by grants from the ACS-PRF and by Pfizer, Inc.
 
( 94 )   Recorded at: 10/18/2007      
Title Effect of proinflammatory cytokines tumor necrosis factor-a and interferon-g on epithelial barrier function and matrix metalloproteinase-9 in Madin Darby Canine kidney cells
Journal Cell Physiol Biochem, 2007;19:99-112, Leone AK, Chun JA, Koehler CL, Caranto J, King JM
Description The expression profile of matrix metalloproteinase-9 (MMP-9) was determined in a model epithelium following exposure to inflammatory cytokines. We demonstrated that ERK activation, a component of the mitogen-activated protein kinase (MAPK) signaling pathway, preceded MMP-9 expression. The preponderance of MMP-9 is secreted toward the apical surface of the epithelium directly contributing to tight junction barrier dysfunction. Tight junctions are necessary for tissue compartmentalization and vectorial solute transport
Faculty
Student Amanda Leone initiated this research as an honor’s thesis project in her junior and senior years and is currently a graduate student at UT Southwestern in the immunology program. contributed to this work as an independent study student in her junior and senior years and is currently a student at Penn State College of Medicine. Christopher Koehler is currently a Beckman Scholar and senior honor’s thesis student. Jonathan Caranto volunteered after completion of his undergraduate studies and currently is a graduate student in the department of chemistry at the University of Texas at San Antonio
Fund A NSF-REU award, the WM Keck Foundation, the Arnold and Mabel Beckman Foundation and an NIH-Area award supported the research.
 
( 95 )   Recorded at: 10/18/2007      
Title Analysis of ligand binding to a ribose biosensor using site-directed mutagenesis and fluorescence spectroscopy
Journal Protein Sci, 2007;16:362-368, Vercillo NC, Herald KJ, Fox JF, Der BS, Dattelbaum JD
Description In this work, we investigated the outcome of site-directed mutagenesis on the Escherichia coli ribose binding protein (RBP), frequently used as a design scaffold for computational searches. A ribose biosensor was first constructed by covalently attaching an environmentally-sensitive fluorescent probe to RBP at position S265C. We measured the effect of single and multiple alanine mutations on stability and signal transduction potential of the biosensor. Because complete re-design of RBP ligand binding is possible, the data collected from this study may be incorporated into design algorithms to help create more stable biosensors for a variety of chemically important ligands
Faculty Jon Dattelbaum is an assistant professor of chemistry
Student Students Natalie Vercillo, Kaitlin Herald and John Fox are all currently finishing their senior year, and Bryan Der is finishing his junior year; all four participated in this research over two academic years and two summers
Fund The research was supported by the Thomas and Kate Jeffress Memorial Trust. Bryan Der was supported by a grant from the Howard Hughes Medical Institute.
 
( 96 )   Recorded at: 10/18/2007      
Title Plasma surface modification and characterization of POSS-based nanocomposite polymeric thin films
Journal Langmuir, 2007;23(8):4346–4350, Augustine BH. Hughes WC, Zimmerman KJ, Figueiredo AJ, Guo X, Chusuei CC, Maidment JS
Description This work involved a study of the effect of oxygen containing plasmas on the nanocomposite polymer poly[(propylmethacryl-heptaisobutyl-polyhedral oligomeric silsequioxane)-co-(methylmethacrylate)] (POSS-MA). This material can be spun cast onto surfaces as a polymer, but when exposed to oxygen radicals the polymeric parts are etched away leaving a surface with the characteristics of inorganic SiO2 converting the surface from hydrophobic to hydrophilic. A full range of measurements including contact angle, ellipsometry, atomic force microscopy, and XPS were done to confirm a model for this behavior.
Faculty
Student Brian Augustine is in the Department of Chemistry; Chris Hughes is in the Department of Physics and Astronomy; Chas Chusuei is in the Department of Chemistry at Missouri-Rolla; Katy Zimmermann is a senior chemistry major at JMU (work from 2006-07). She will be a grad student at UC-Riverside in environmental chemistry this fall. Ashley Figueiredo is a junior chemistry major at Sweet Briar College (work in 2006) Jessica Maidment is a senior chemistry major at Randolph-Macon Womens College (work in 2004). All of these students were REU students funded as part of the Department of Defense ASSURE program (administered by the NSF). Katy used this work as part of a senior honors thesis. Ashley will continue this work this summer and is working toward and honors thesis at Sweet Briar.
Fund Additional funding was provided by the NSF through an RUI grant
 
( 97 )   Recorded at: 4/18/2007      
Title The proximal convoluted tubule is a target for the uroguanylin-regulated natriuretic response
Journal J Pediatr Gastroenterol Nutr, 2006;43:S74-81, Elitsur N, Lorenz JN, Hawkins JA, Rudolph JA, Witte D, Yang LE, McDonough AA, Cohen MB
Description To explore the in vivo role of guanylin and uroguanylin in the regulation of sodium excretion, gene-targeted mice in which theuroguanylin, guanylin or the peptide receptor guanylate cyclase C gene expression had been ablated were used. Metabolic balance studies demonstrated that there was impaired excretion of a sodium load in uroguanylin (but not in guanylin or guanylate cyclase C) knockout mice. These findings further establish a role for uroguanylin in fluid homeostasis and support a role for uroguanylin as an integral component of a signaling mechanism that mediates changes in urinary Na excretion in response to enteral salt loading
Faculty Mitchell Cohen is professor of pediatrics at Cincinnati Children's Hospital Medical Center and the University of Cincinnati
Student Noeet Elitsur participated in this research after her junior year and continued this work part time as a senior. She is currently enrolled at Marshall University School of Medicine, Huntington, W.Va.
Fund This research was supported by a grant from NIDDK
 
( 98 )   Recorded at: 4/16/2007      
Title Chiral NMR discrimination of piperidines and piperazines using (18-crown-6)-2,3,11,12-tetracarboxylic acid
Journal J Org Chem, 2006;71:9178-9182, Lovely AE, Wenzel TJ
Description Contrary to prior findings that 18-crown-6 ethers bind strongly to primary amines and not secondary amines, the title crown ether was found to produce enantiomeric discrimination in the NMR spectra of secondary amines. Mixing an amine with the crown resulted in a neutralization reaction between the two. Binding of the secondary amine to the crown occurred through two hydrogen bonds and an ion pair, which explains the strength of the binding. The crown ether is an especially effective reagent for the NMR analysis of the enantiomeric purity of a range of secondary amines including piperidines and piperazines
Faculty Tom Wenzel is a professor of chemistry
Student Ann Lovely is a senior chemistry major who has participated in this research since her sophomore year. She is continuing the work as a senior honors thesis, and eventually plans to attend graduate school in chemistry
Fund The research was supported through a NSF-RUI grant and a grant to Bates College through the Howard Hughes Medical Institute
 
( 99 )   Recorded at: 4/16/2007      
Title Chiral NMR discrimination of pyrrolidines using (18-crown-6)-2,3,11,12-tetracarboxylic acid
Journal Tetrahed: Asymm, 2006;17:2642-2648, Lovely AE, Wenzel TJ
Description Contrary to prior findings that 18-crown-6 ethers bind strongly to primary amines and not secondary amines, the title crown ether was found to produce enantiomeric discrimination in the NMR spectra of secondary amines. Mixing an amine with the crown resulted in a neutralization reaction between the two. Binding of the secondary amine to the crown occurred through two hydrogen bonds and an ion pair, which explains the strength of the binding. The crown ether is an especially effective reagent for the NMR analysis of the enantiomeric purity of a range of secondary amines including pyrrolidines
Faculty Tom Wenzel is a professor of chemistry
Student Ann Lovely is a senior chemistry major who has participated in this research since her sophomore year. She is continuing the work as a senior honors thesis, and eventually plans to attend graduate school in chemistry
Fund The research was supported through a NSF-RUI grant and a grant to Bates College through the Howard Hughes Medical Institute.
 
( 100 )   Recorded at: 4/16/2007      
Title Chiral NMR discrimination of secondary amines using (18-crown-6)-2,3,11,12-tetracarboxylic acid
Journal Org Lett, 2006;8:2823-2826, Lovely AE, Wenzel TJ
Description Contrary to prior findings that 18-crown-6 ethers bind strongly to primary amines and not secondary amines, the title crown ether was found to produce enantiomeric discrimination in the NMR spectra of secondary amines. Mixing an amine with the crown resulted in a neutralization reaction between the two. Binding of the secondary amine to the crown occurred through two hydrogen bonds and an ion pair, which explains the strength of the binding. The crown ether is an especially effective reagent for the NMR analysis of the enantiomeric purity of a range of secondary amines
Faculty Tom Wenzel is a professor of chemistry.
Student Ann Lovely is a senior chemistry major who has participated in this research since her sophomore year. She is continuing the work as a senior honors thesis, and eventually plans to attend graduate school in chemistry
Fund The research was supported through a NSF-RUI grant and a grant to Bates College through the Howard Hughes Medical Institute.
 
( 101 )   Recorded at: 4/16/2007      
Title Acetate kinase: not just a bacterial enzyme
Journal Trends Microbiol, 2006;14:249-253, Ingram-Smith C, Martin SR, Smith KS
Description Many bacteria utilize the acetate kinase - phosphotransacetylase pathway to activate acetate into acetyl-CoA. These enzymes were thought to be absent in eukaryotes, but we have found acetate kinase in a number of eukaryotic microbes. Although phosphotrans-acetylase is present in a few of the other eukaryotes with acetate kinase, its absence in others suggests a novel for function for acetate kinase. For example, in fungi with acetate kinase, the identification of another enzyme, xylulose-5 phosphate (fructose-6 phosphate) phosphoketolase, thought to be present only in bacteria suggests a new pathway for acetate kinase. The absence of any partner enzyme for acetate kinase in protists such yet another novel role for acetate kinase in eukaryotes.
Faculty Kerry S. Smith is an assistant professor in the Department of Genetics and Biochemistry
Student Stephen Ross Martin, a mathematical science major at the time, participated in this research the summer after his senior year as intern in the NSF-NIH Bioengineering and Bioinformatics Summer Institute (BBSI) in Biomaterials Science and Engineering. Ross is currently in his first year of an MS/MBA program in Biotechnology at John Hopkins University
 
( 102 )   Recorded at: 4/16/2007      
Title The effects of removing the GAT domain from E. coli GMP synthetase.
Journal Protein J., 2006;25(7-8):483-491. DOI: 10.1007/s10930-006-9032-5, Abbott JL, Newell JM, Lightcap CM, Olanich ME, Loughlin DT, Weller MA, Lam G, Pollack S, Patton WA
Description To study the structural requirements for the activity of E. coli GMP synthetase (GMPS), we cloned a portion of the protein containing both the synthase domain and the predicted dimerization domain. The cloned protein is active in solution, utilizing NH4+ as an NH3 donor and demonstrates a dimeric mass in solution. Kinetic data provide evidence that a third domain regulates GMPS activity. Furthermore, this work provides the first evidence in solution for the structural organization of the intact GMPS
Faculty Walter Patton is an assistant professor of chemistry; Sidney Pollack is a professor of biology
Student Jordan Newell started the project in summer ’02; Christine Lightcap started in fall ‘02. Newell is a medical student at the Penn State College of Medicine; Lightcap is a PhD candidate in Biochemistry at Thomas Jefferson University. Mary Olanich began in summer ‘03 and is now a first year PhD student in Molecular Cell Biology at Washington University in St. Louis. Jessica Abbott and Danielle Loughlin began in summer ‘03 and fall ‘03, respectively. Melanie Weller joined in summer ‘04. Loughlin is now a PhD student in biochemistry at Drexel University, Weller is a medical student at Ross University and Abbott is employed in industry. Gary Lam started in summer ‘06 and continues to work
Fund Portions of this project were supported by a Cottrell College Science Grant from Research Corporation, a Franklin Research grant from the American Philosophical Society and a CUR Summer Undergraduate Research Fellowship (Newell – 2004). Institutional grants to Lebanon Valley College from the Whitaker Foundation (Summer 2002) and Merck-AAAS (Summers 2003–2005) supported several of the above students during the summer.
 
( 103 )   Recorded at: 4/16/2007      
Title Characterization of the acyl substrate binding pocket of acetyl-CoA synthetase
Journal Biochemistry, 2006;45:11482-11490, Ingram-Smith C, Woods BI, Smith KS
Description Acetyl-CoA synthetase (ACS) is the principal enzyme for the conversion of acetate to acetyl-CoA, an essential intermediate at the junction of anabolic and catabolic pathways. Using the published structure of the Salmonella enterica ACS, we have identified key active site residues for acetate. Of the four residues that form the acetate binding pocket, we have shown that a conserved tryptophan (a conserved valine to a lesser extent) is a major determinant in acyl substrate utilization
Faculty Kerry S. Smith is an assistant professor in the Department of Genetics and Biochemistry.
Student Barrett Woods, a biological science major participated in this research the summer after his junior year as intern in the NSF-NIH Bioengineering and Bioinformatics Summer Institute (BBSI) in Biomaterials Science and Engineering. Barrett is a third year medical student at the University of Pittsburgh School of Medicine
Fund The research was supported by an NIH grant to Kerry Smith and the NSF-NIH BBSI.
 
( 104 )   Recorded at: 4/16/2007      
Title Nanoporous TiO2-supported bimetallic catalysts for methanol oxidation in acidic media
Journal Electrochem Commun, 2006;8:1439-1444, Hepel M, Kumarihamy I, Zhong CJ
Description New dynamic aspects of the catalysis of methanol oxidation reaction have been studied. The submonolayer films of bi-functional catalysts (PtRu) were deposited on novel nanostructured supporting materials to achieve high variability of their electronic and chemical properties influencing the catalytic activity of sub-monolayer catalyst. The mesoscopic TiO2-x supporting film formation was investigated using EQCN, voltammetric, and AFM techniques. The activity of submonolayer catalysts PtRu deposited on nanoporous TiO2-x films was investigated using the point defect formation voltammetry. Significant improvement of catalyst performance has been achieved
Faculty Maria Hepel is a professor of chemistry at SUNY Potsdam, CJ Zhong is an associate professor at SUNY Binghamton.
Student Indee Kumarihamy participated in this research during summer and then continued it during her senior academic. Currently, Indee is a graduate student at the U of Rochester.
Fund The research was supported by NSF (CCLI-0126402), PRF-SRF Grant No. 40253-AC5M, and by the FUSR Grant, SUNY Potsdam
 
( 105 )   Recorded at: 4/16/2007      
Title Pd-xantphos-catalyzed direct arylation of nucleosides
Journal Org Lett, 2006;8:4613-4616, Ngassa FN, DeKorver KA, Melistas TS, Yeh EA-H, Lakshman MK
Description Direct arylation of the exocyclic amino groups of nucleosides represents a simple approach to N-aryl nucleoside derivatives. To date, one limitation has been that only electron-deficient aryl bromides and triflates possessed adequate reactivity for efficient, direct N-arylation of nucleosides. We demonstrated that Pd-Xantphos catalytic systems lead to successful N-arylation of suitably protected 2’-deoxyadenosine and 2’-deoxyguanosine with a wide range of aryl bromides
Faculty Felix Ngassa is a professor of chemistry at Grand Valley State University. Mahesh Lakshman is a professor of chemistry at the City College of CUNY.
Student Kyle DeKorver, Theothora Melistas and Edmund Yeh participated in this research the summer after their junior years and then continued it as a senior project. Edmund is currently in graduate school at Penn State, Theo is employed in industry, and Kyle is getting ready to graduate in April and head out to graduate school
Fund The research was supported through a Grant-in-Aid award from GVSU to FNN; NSF Grant and PSC CUNY-37 award to MKL
 
( 106 )   Recorded at: 2/22/2007      
Title Effects of microwave irradiation on the polymerization of styrene and methyl methacrylate in microemulsions
Journal JUCR, 2006;5:89-93, Pilcher SC, O’Mealey J, Phillips J
Description Two different polymers, polystyrene and poly(methyl methacrylate), were each prepared in microemulsions using both microwave irradiation and a conventional conductive heating method. Percent conversions and molecular weights were greater in polymer samples prepared using microwave irradiation with poly(methyl methacrylate) showing a more significant effect
Faculty Spence Pilcher is an assistant professor of chemistry at Northeastern State University
Student John Phillips and Jessica Martin participated in this research for their senior research project. John is currently in dental school at the University of Oklahoma. Jessica is employed in a lab at a hospital in the Tulsa area.
Fund Materials for research were provided by the Department of Natural Science at Northeastern State University
 
( 107 )   Recorded at: 2/22/2007      
Title Sequence-specific recognition and cooperative dimerization of N-terminal aromatic peptides in aqueous solution by a synthetic host
Journal J Am Chem Soc, 2006;128:12574-12581, Heitmann LH, Taylor AD, Hart PJ, Urbach, AR
Description The binding characteristics of the synthetic host, cucurbit[8]uril (Q8), were determined in aqueous solution (pH 7) for a series of twelve aromatic peptides using isothermal titration calorimetry and NMR spectroscopy. It was found that Q8 binds with unprecedented selectively to N-terminal tryptophan and N-terminal phenylalanine, and in a 2:1 (peptide:Q8) stoichiometry. High-resolution X-ray structures revealed the basis for selective recognition as simultaneous inclusion of the hydrophobic side-chain and chelation of the proximal N-terminal ammonium ion by multiple carbonyls on the portals of Q8
Faculty Alex Taylor is a staff member of the X-ray Core Crystallography Laboratory at UT Health Science Center at San Antonio. P. John Hart is a professor of biochemistry at the UT Health Science Center at San Antonio. Adam Urbach is an assistant professor of chemistry at Trinity University
Student Lisa Heitmann (class of 2008) started this project in the first semester of her freshman year at Trinity University as an independent study project, and continued over the course her freshman and sophomore years as well as the summers of 2005 and 2006 to complete this work
Fund The research was supported in part by startup grants from Research Corporation and the ACS Petroleum Research Fund, and by the Robert A. Welch Foundation.
 
( 108 )   Recorded at: 2/22/2007      
Title Polyamines and the NMDA receptor: Modifying intrinsic activities with aromatic substituents
Journal Bioorg Med Chem Lett, 2006;16:2837-2841, Berger ML, Bitar AY, Waitner MJ, Rebernik P, O’Sullivan MC
Description Thirty four spermidine and spermine derivatives with aromatic substituents were synthesized and investigated to ascertain if they inhibited the binding of the NMDA channel blocker [3H]MK-801 to membranes prepared from rat hippocampus and cerebral cortex. The NMDA receptor complex is involved in learning and memory and may also be involved in various conditions leading to neuronal degeneration. Thus, inhibitors of the NMDA receptor may have medicinal uses. Several of these compounds were potent inhibitors of [3H]MK-801 binding, and our results support the hypothesis that an aromatic moiety near the center of polyamines contributes to polyamine inverse agonism of the NMDA receptor
Faculty Mary O’Sullivan is a professor in the Department of Chemistry and Biochemistry at Canisius College. Michael Berger is a professor in the Department of Molecular Neurobiology at the Medical University of Vienna, Austria.
Student Abdallah Bitar worked on this project for 2 summers and graduated with a BS in Biochemistry from Canisius College in 2003. He is currently pursuing MD and PhD degrees at the University of Rochester. Matthew Waitner has worked on this project for 2 summers and will graduate with a BS in Chemistry from Canisius in 2007
Fund Both students were funded by a HHMI undergraduate science education grant to Canisius College
 
( 109 )   Recorded at: 2/22/2007      
Title Synthesis and characterization of three coordinate “t-shaped” complexes of tellurium (II) incorporating a naphthyl tellurium fragment
Journal Phosphorus Sulfur, 2006;181:2023-2035, Rudd MD, Hofkens CJ, Pahl DL, Feazell RP
Description Several new three coordinate tellurium (II) complexes have been prepared by the addition of dinaphthyl ditelluride (C10H7)2Te2 and a halogen (Br2 or I2) to various monodentate ligands known to coordinate through their terminal sulfur or selenium atoms to investigate possible electronic and steric effects associated with a large aryl group. Complexes of the type RTeX(L) are described here [R = naphthyl, X = Br, I, L = thiourea (I (X = Br), II (X = I)), tetramethylthiourea (III), selenourea (IV), tris(dimethylamino)phosphane selenide (V) and N-methylbenzothiazol-2(3H)-thione (VI)]. Evidence of the formation of the new complexes is presented through microanalytical data and multinuclear NMR spectroscopy in addition to single crystal X-ray diffraction studies of (I) and (III). The structures are described in detail, along with a comparison with related Te (II) complexes
Faculty Martin Rudd is an associate professor of chemistry
Student Rodney Feazell was a graduate student at Baylor University. Deanna Pahl and Cindy Hofkens were sophomores who participated in the study as part of a sophomore level independent study class in 2005. Deanna is now at the University of Minnesota, School of Pharmacy. Cindy attends the University of Wisconsin–Madison, School of Pharmacy
Fund The undergraduate research was funded through a UW-Fox Valley Professional Development Award
 
( 110 )   Recorded at: 2/22/2007      
Title Synthesis of zinc, copper, nickel, cobalt and iron complexes using tris(pyrazolyl)methane sulfonate ligands: A structural model for N,N,O binding in metalloenzymes
Journal Inorg Chem, 2006;45:2242-2250, Papish ET, Taylor MT, Jernigan FE, Rodig MJ, Shawhan RR, Yap GPA, Jové FA
Description Complexes of the new tris(isopropylpyrazolyl)methane sulfonate (TpmsiPr) ligand were investigated as a structural models for histidine and carboxylate residues in metalloenzymes. The ligand produced octahedral complexes M(TpmsiPr)2 (M = Zn, Cu, Ni, Co, Fe) in which each ligand has N,N,O binding to the metal. With zinc, tetrahedral TpmsiPr zinc complexes were also formed. Thus TpmsiPr is coordinatively flexible due to its intermediate steric bulk and can act as a bipodal or tripodal ligand
Faculty Elizabeth Papish is an assistant professor of chemistry
Student Michael Taylor, Finith Jernigan, Michael Rodig and Robert Shawhan performed research for both pay and credit for several semesters and one summer, beginning work in their sophomore through senior years. Michael Taylor and Michael Rodig are currently in graduate school at University of Delaware and University of Florida at Gainesville, respectively. Finith Jernigan is a senior who is currently applying to medical and graduate school. Robert Shawhan recently graduated and is applying to medical school
Fund The Papish group is grateful to the American Chemical Society Petroleum Research Fund and Salisbury University's Henson School for funding
 
( 111 )   Recorded at: 2/20/2007      
Title RNAi phenotypes and the localization of a protein::GUS fusion imply a role for Medicago truncatula PIN genes in nodulation
Journal J Plant Growth Reg, 2006;25:156-165, Huo X, Schnabel E, Hughes K, Frugoli J
Description The plant hormone auxin has been implicated in the development of nodules, root organs on legume plants that allow a symbiosis with nitrogen fixing bacteria. By examining the nodulation phenotype of transgenic plants in which auxin transporter expression has been reduced and documenting the expression of an auxin reporter gene, this work provides molecular evidence that polar auxin transport is important to the development of nodules
Faculty Julia Frugoli is an associate professor of genetics and biochemistry
Student Elise Schnabel is a research associate and Xiuyan Huo was a graduate student who performed the RNAi work as part of her MS thesis. Kelley Hughes did the auxin reporter gene work as her senior thesis project in 2002-2003. Kelley went on the pharmacy school
Fund The work was supported by the undergraduate research portion of the SC LIFE grant from HHMI to Clemson and a USDA/NRI grant to Julia Frugoli
 
( 112 )   Recorded at: 2/20/2007      
Title A green, clean colligative properties experiment
Journal Chem Educ, 2006;11:1-3, Iacobucci S, Jaworek-Lopes C, Wang P, Phun L, Wilbur G, Dobson A
Description In the undergraduate chemistry laboratory, a common experiment is the use of colligative properties to determine the molar mass of a solute. Some drawbacks from the past procedures have been the use of large quantities of malodorous, toxic, and expensive solutes and solvents. This green procedure uses small quantities of nontoxic, inexpensive reagents that are readily converted into biodegradable soap in the final cleanup step
Faculty Sarah Iacobucci is the director of laboratories at Tufts University. Christine Jaworek-Lopes is an assistant professor of chemistry at Emmanuel College.
Student Pulin Wang and Lien Phun completed this work during their junior and sophomore years respectively as an independent research project. Pulin is now a graduate student at UIUC and Lien is a senior at Emmanuel College. Gregory Wilbur and Adam Dobson worked on this project at Tufts University. Greg was a high school student at Phillips Academy and is now at the University of Rochester. Adam was a senior at Tufts University and is currently employed in Puebla, Mexico at the JUCONI organization
 
( 113 )   Recorded at: 2/20/2007      
Title Radical reactions mediated by cyclobutadieneiron tricarbonyl
Journal Organometallics, 2006;25:3787-3781, Byers, JH, Sontum, SF, Dimitrova, TS, Huque, S, Zhang, Y, Zegarelli, BM, Jasinski, JP, Butcher, RP
Description Cyclobutadiene has long been a molecule of interest to organic chemists, but can only be readily observed as its organometallic derivative, cyclobutadieneiron tricarbonyl. We have demonstrated several classes of radicals stabilized by this organometallic complex, thus expanding the potential uses of this synthon, as well as illustrating the generation of previously unobserved reactive intermediates
Faculty Jeff Byers and Steve Sontum are professors of chemistry. Collaborating crystallographers Jerry Jasinski and Raymond Butcher are professors of chemistry at Keene State College and Howard University, respectively
Student Tina Dimitrova and Sumaya Huque participated in this research the summer after their sophomore years and then continued it as a senior thesis project. Yong Zhang, and Ben Zegarelli participated in this research the summer after their junior years and then continued it as a senior thesis project. Tina is employed as a consultant, Sumaya is an MD-PhD student, and Yong and Ben are enrolled in PhD programs in organic chemistry.
Fund This project was supported by grants from Vermont EPSCOR and NSF-RUI. Summer Research Fellowships for Ben and Yong were provided through Pfizer Summer Undergraduate Research Fellowships
 
( 114 )   Recorded at: 2/20/2007      
Title Vibrational relaxation of CO2(?2) by atomic oxygen
Journal J Geophys Res, 2006;111:A09303, doi:10.1029/2006JA011736, Castle KJ, Kleissas KM, Rhinehart JM, Hwang ES, Dodd JA
Description Laboratory measurements were performed to better characterize the CO2(?2)-O vibrational relaxation rate coefficient, which is related to the dominant cooling mechanism in Earth’s upper atmosphere. The rate coefficient is a crucial input for aeronomic models of Earth, Mars, and Venus, and for the interpretation of SABER IR sounding measurements from NASA’s TIMED satellite, currently in orbit. A temperature-jump approach was used to create a nonequilibrium CO2 vibrational distribution, and transient diode laser absorption spectroscopy was used to monitor CO2 vibrational level population reequilibration following collisions with atomic oxygen
Faculty Karen Castle is an assistant professor of chemistry
Student James Dodd is a staff scientist at the Air Force Research Laboratory/Space Vehicles Directorate. Eunsook Hwang is a senior chemist for Utah State University/Stewart Radiance Laboratory. Justin Rhinehart worked on this project as a master’s student at Bucknell University. Katie Kleissas was involved in the project during her junior and senior years as an undergraduate at Bucknell University and is currently employed at Merck & Co., Inc
Fund This research was supported by NASA’s Office of Space Science, the Camille & Henry Dreyfus Foundation, and the Henry Luce Foundation
 
( 115 )   Recorded at: 2/20/2007      
Title Structure and vibrational frequency determination for a-poly(vinylidene fluoride) using density-functional theory.
Journal Polymer, 2006;47:7160-7165, Ramer NJ, Marrone T, Stiso KA
Description The structure of the non-polar ?-phase of poly(vinylidene fluoride) (PVDF) was determined by density-functional methods. We found very good agreement between our relaxed structure and that of previous X-ray diffraction studies. Using the relaxed structure, we have determined the infrared and Raman frequencies for the material using density-functional perturbation theory. The resulting frequencies are in excellent agreement with experiment and are comparable in accuracy to semi-empirical values for most absorbencies. The low-frequency portion of our spectra (50 – 300 cm-1) shows better agreement with experimental values than the same frequencies found semi-empirically
Faculty Nicholas J. Ramer is an assistant professor of chemistry
Student Theresa Marrone participated in this research as part of her senior thesis. She graduated with a BS in chemistry in May 2006 and is currently employed at Fiber-Shield Industries, Inc. Kimberly Stiso contributed to this research while an undergraduate student at Post as part of degree in adolescence chemistry education and is currently pursuing her masters in chemistry at St. John’s University
Fund This research was supported by a grant from the Research Committee of C. W. Post along with institutional funds
 
( 116 )   Recorded at: 2/20/2007      
Title Dimerization of lithocholate unsaturated esters using the ‘second generation’ Grubbs’ reagent
Journal Org Prep Proc Int, 2006; 38: 337-340, Dallstream CD, Dias JR
Description A tailor-made linear dimer was synthesized starting from lithocholic acid, an inexpensive steroid bile acid. The presented route uses the Yamaguchi reaction for attaching an unsaturated acid to the methyl lithocholate ester. Linking of two lithocholate ester derivatives was performed via the Grubbs’ ruthenium catalyzed olefin cross-metathesis. Possible applications of this coupling strategy include development of bile acid based polymers for use as biocompatible prosthetic devices and drug delivery systems
Faculty Jerry Ray Dias is a professor of chemistry and medicine
Student Christopher Dallstream participated in this research his senior year as senior research. He is employed at Ash Grow Cement Company doing analytical chemistry
Fund The research was supported through a UMKC Departmental grant
 
( 117 )   Recorded at: 2/20/2007      
Title Synthesis, characterization and electrode adsorption studies of porphyrins coordinated to ruthenium(II) polypyridyl complexes
Journal Inorg Chim Acta, 2006;359:789-799, Marek D, Narra M, Schneider A, Swavey S
Description Porphyrins containing electrochemically active meso-substituents and ruthenium polypyridyl groups have been prepared and studied. These new complexes display rich redox and spectroscopic properties. When adsorbed onto glassy carbon electrodes and cycled anodically in acidic media the modified electrodes show interesting electrochemical properties
Faculty Shawn Swavey is an assistant professor of chemistry
Student This work was performed over a 10-week summer research experience. Diane Marek and Aaron Schneider are both working in industry. Muralikrishna Narra was a graduate student who is currently working in industry
Fund This work was supported by a grant from the Research Corporation
 
( 118 )   Recorded at: 2/20/2007      
Title Synthesis, electrochemistry and spectroscopy of lanthanide(III) homodinuclear complexes bridged by polyazine ligands
Journal Inorg Chim Acta, 2006;359:1233-1238, Sultan R, Kalyan Gadamsetti K, Swavey S
Description New homodinuclear Ln(III) complexes where Ln = Eu, Tb or Er bridged by 2,2?-bipyrimidine have been synthesized. When photoexcited in the UV region the europium bimetallic complex emits in the visible region of the spectrum
Faculty Shawn Swavey is an assistant professor of chemistry
Student Reema Sultan, junior, performed this work over a 10-week summer research experience. Kalyan Gadamsetti is a master’s degree student
Fund This work was funded through a grant from the Research Corporation
 
( 119 )   Recorded at: 2/20/2007      
Title Synthesis, characterization and DNA interactions of 5,15-(4-pyridyl)-10,20-(pentafluorophenyl)porphyrin coordinated to two [Ru(bipy)2Cl]+ groups
Journal Inorg Chim Acta, 2006;359:2256-2262, Narra M, Elliott P, Swavey S
Description A new porphyrin and its diruthenium analog have been synthesized. Electrochemistry, UV/Vis spectroscopy and spectroelectrochemistry have been used to characterize the compounds. Gel electrophoresis and UV/Vis titrations of the ruthenium porphyrin with plasmid DNA and calf thymus DNA show intercalative effects. Photolysis of aqueous solutions of circular DNA in the presence of the ruthenium porphyrin indicates cleavage of the DNA by the ruthenium porphyrin
Faculty Shawn Swavey is an assistant professor of chemistry
Student This work was performed as part of Patrick Elliott’s thesis requirement. He is currently in medical school at Case Western Reserve University. Muralikrishna Narra is currently working in industry
Fund This work was funded through the University of Dayton.
 
( 120 )   Recorded at: 2/20/2007      
Title Dinuclear lanthanide(III) complexes containing ?-diketonate terminal ligands bridged by 2,2?-bipyrimidine
Journal Inorg Chem Comm, 2006;9:979-981, D’Cunha D, Collins D, Richards G, Vincent GS, Swavey S
Description A one-pot synthetic procedure has been used to make 16 new lanthanide complexes in high purity. Monometallic and bimetallic complexes are formed using the same synthetic conditions based on the size of the metal and the type of diketone terminal ligand
Faculty Shawn Swavey is an assistant professor of chemistry
Student This work was performed over a 10-week period in the summer. Deepika D’Cunha and Dan Collins are seniors and Gregory Richards and Gilford S. Vincent are sophomores.
Fund The research was partially supported by the department of chemistry at the University of Dayton
 
( 121 )   Recorded at: 2/20/2007      
Title B-Hematin polymerization inhibition of plant extracts
Journal , JUCR 2006; 3:125-130, Berger JM, Thomas MM, Riley TC, Flanagan KA, Zilinski MW, Gurunian V, Huth ED, DeSimone S, Miller JS.
Description The antimalarial activities of chloroquine and other quinolines are believed to be due to their capacity to inhibit B-hemazoin polymerization under physiological conditions. B-hematin, spectrometrically identical to B-hemazoin, can be produced in acidic solution and used as an assay to screen for antimalarial compounds. Fifty extracts from twenty five North American plant species were investigated for B-hematin polymerization inhibition. Nine extracts were found to be weak inhibitors. Two weak inhibitors, a-tocopherol and ß-carotene, were isolated from an EtOAc extract of Strophostyles helvola
Faculty John Berger is a professor of chemistry
Student James Miller is the curator and head of the applied research department at the Missouri Botanical Garden. Mallika Thomas, Thomas Riley, Keri Flanagan, Maria Zilinski, Vieroslava Gurunian, Elizabeth Huth, and Stephen DeSimone pursued research as undergraduate coursework (in 2004-2005). For most of these students, the research satisfied a requirement to receive ACS (American Chemical Society) certification for their BS degrees. Vieroslava Gurunian is employed as a chemist at Sanofini-Aventis; she and Thomas Riley are now pursuing master’s degrees in chemistry at MSU. Keri Flanagan has entered PhD studies in medicinal chemistry at the University of North Carolina. Elizabeth Huth joined Schering-Plough as a chemist
Fund This work was supported by the New Jersey Seagrant and the American Society of Pharmacognosy
 
( 122 )   Recorded at: 2/20/2007      
Title Bombardment induced surface chemistry on Si under keV C60 impact
Journal Appl Surf Sci, 2006;252:6463-6465, Krantzman KD, Kingsbury DB, Garrison BJ
Description The published research presents the results of molecular dynamics simulations, which explain experimental results that are unique to C60 bombardment of Si surfaces. The pairing of the C60 projectile with the silicon target material results in a unique situation because of the strong covalent bonds that can be formed between carbon and silicon atoms. Therefore, the resulting surface processes are found to be greatly influenced by bombardment induced surface chemistry
Faculty Kristin Krantzman is a professor of chemistry. Barbara Garrison is a professor of chemistry at Pennsylvania State University
Student As part of the SURF supported grant, David visited Penn State for one week. David graduated with a BS degree in Biochemistry in May, 2006 and he is currently employed as a research scientist at General Engineering Labs. He plans to apply to chemistry graduate schools in the near future
Fund David Kingsbury started working on the project during the summer of 2005 supported by an internal (SURF) research award
 
( 123 )   Recorded at: 2/20/2007      
Title The basic region of DAD is required for autoregulatory interactions with the diaphanous-related formin inhibitory domain
Journal J Biol Chem, 2006;281:4300-4307, Wallar BJ, Stropich BN, Schoenherr JA, Holman HA, Kitchen SM, Alberts AS
Description Mammalian diaphanous-related (mDia) formins act as Rho GTPase effectors during cytoskeletal remodeling and are known to regulate their own "activity" by intramolecular interactions between N- and C-terminal domains. Here, we show that specific amino acids within the basic region of the C-terminal domain (DAD) contribute to intramolecular binding and therefore the maintenance of the mDia autoregulatory mechanism. In addition, expression of full-length versions of mDia containing specific amino acid substitutions causes profound changes in the F-actin architecture, including the formation of filopodia-like structures that rapidly elongate from the cell edge. These studies further refine our understanding of the molecular contribution of DAD to mDia control and the role of mDia in the assembly of membrane protrusions
Faculty Brad Wallar is an assistant professor of chemistry
Student Jessica Schoenherr started her project in the summer after her junior year and continued in the laboratory for a total of 1.5 years. Brittany Stropich started her project in the summer after her sophomore year and continued in the laboratory for a total of 2 years. Currently, Jessica is in her second year of graduate school in the Department of Biochemistry at Purdue University. Brittany is currently in her first year of graduate school in the Department of Biochemistry at the University of Wisconsin-Madison
Fund Both students received funding from the Student Summer Scholars Program, the Chemistry Department, and the Cell and Molecular Biology Program at GVSU
 
( 124 )   Recorded at: 2/20/2007      
Title Radioimmunoassay of morphine in urine from ingestion of poppy seeds: A research-based laboratory
Journal Chem Educ, 2006;11:190-195, Drossman H, Myers JB, Bower NW
Description A research-based bioanalytical/forensic science laboratory that makes use of a commercially available 125I-labeled radioimmunoassay kit (Coat-a-Count) is described. The kit is used to test for morphine in test-subjects’ urine after poppy seed consumption. The curricular goals include safe handling of radiochemicals, learning immunoassay skills, using radiochemical instrumentation and its associated calculations, and designing and analyzing experiments with several variables.
Faculty Howard Drossman and Nathan Bower are professors of chemistry
Student Jeremy Myers participated in this research in his senior year and is currently at the University of Colorado Denver Health Sciences Center
Fund This work was supported by funding from Colorado College.
 
( 125 )   Recorded at: 12/12/2006      
Title Acta Crystall Section E: Structure Reports Online
Journal , 2005;61(9):m1680-m1681, Tershansy MA, Goforth AM, Smith MD, Peterson Jr L, zur Loye H-C. Tris
Description The chemistry of main group metal-halides has been widely explored for several decades owing to the promising physical properties that such compounds often exhibit including semiconductivity, luminescence, and non-linear optical activity. While our focus has been, and continues to be, on the synthesis of bismuth-halide compounds, upon the exploration of tin-halide systems, a novel compound, [Co(C12H8N2)3](I3)2, was synthesized solvothermally, isolated, and characterized via single crystal X-ray diffraction.
Faculty Hans-Conrad zur Loye is a professor of chemistry at the University of South Carolina. LeRoy Peterson Jr. is a professor of chemistry at Francis Marion University. Mark D. Smith is a crystallographer
Student Andrea M. Goforth was a graduate student at the University of South Carolina during this research investigation, has since graduated, and is currently a postdoctoral scholar at the University of California at Davis. Meredith A. Tershansy participated in this research during her sophomore year at the University of South Carolina as an undergraduate research assistant. She continues to work as an undergraduate research assistant and will graduate in May of 20
Fund The research was supported by a NSF grant.
 
( 126 )   Recorded at: 12/8/2006      
Title What happens when chemical compounds are added to water? An introduction to the MORE thinking frame.
Journal J Chem Ed, 2006;83:622-624, Mattox AC, Rickey D, Reisner BA
Description A laboratory module to introduce students to how different compounds behave when they are dissolved in water was developed to introduce students to the Model-Observe-Reflect-Explain (MORE) Thinking Frame. The laboratory exercise and thinking frame help students connect their macroscopic observations with their understanding of the behavior of particles at the molecular level
Faculty Barbara Reisner is an associate professor of chemistry at James Madison University. Dawn Rickey is an assistant professor of chemistry at Colorado State University.
Student Adam Mattox participated in this research the summer after his sophomore year; he is currently employed in industry
Fund The research was supported through a NSF-ROLE grant.
 
( 127 )   Recorded at: 12/8/2006      
Title Multidentate aminophenol ligands prepared with Mannich condensations
Journal Tet Lett, 2006; 47: 4419- 4423, Higham CS, Dowling DP, Shaw JL, Cetin A, Ziegler CJ, Farrell JR
Description Mannich condensations were used to prepare a series of compounds with multiple amine and alcohol/aminal groups. The reactions were all one-pot reactions with workups consisting of simple filtrations. These compounds have applications as metallochelators and as ligands for bioinorganic modeling, catalysis, and medical imaging. One of these new compounds was used to bind zinc(II) in a trigonal bipyramidal environment similar to metalloenzymes such as alkaline phosphatase, phospholipase and P1 nuclease
Faculty Joshua Farrell is the Thomas D’Ambra assistant professor of chemistry at the College of the Holy Cross. Chris Ziegler is an associate professor of chemistry at the University of Akron.
Student Christine Higham worked on the project from her sophomore through senior years including the summer after her junior year and Daniel Dowling worked on the project during his senior year. She is currently in medical school and Daniel is currently attending graduate school. Janet Shaw and Anil Cetin conducted the single crystal X-ray diffraction studies for the project as graduate students in the chemistry department at the University of Akron. Shaw is currently an assistant professor at Kennesaw State University and Cetin is still enrolled at the University of Akron
Fund The research was supported by the Bekton Dickinson Foundation.
 
( 128 )   Recorded at: 12/8/2006      
Title Analysis of Shiitake mushrooms by ICP-OES
Journal J Undergrad Chem Res, 2006;5:83-87, Easparam S, Potts G
Description In May 2003, the Chattanooga area was subject to a series of heavy rains resulting in the flooding of several local businesses including Crabtree Farms, an organic farm. This caused the question to be raised as to whether future crops of the farm, especially that of Shiitake mushrooms, would be contaminated by a pollution rich creek. The first four crops of Shiitake mushrooms were harvested and analyzed by ICP-OES. Contamination levels, when compared to commercial mushrooms, were found to be elevated especially in the first crop with each successive crop containing less contaminates than the previous. These data trends seem to indicate that the Shiitake mushrooms do initially absorb contaminants through the log, but after several successive crops the contaminant levels return to normal levels
Faculty Gretchen Potts is an assistant professor of chemistry at the University of Tennessee at Chattanooga
Student Sarah Easparam began this research during the summer following her freshman year and completed it in the fall semester of her sophomore year. She is currently enrolled at UTC as a junior
Fund The research was supported by the Grote Fund at UTC.
 
( 129 )   Recorded at: 12/8/2006      
Title Synthesis and characterization of tetra- and trisiloxane-containing oligo(ethylene glycol)s-highly conducting electrolytes for lithium batteries
Journal Chem Mat, 2006;18:1289-1295, Rossi NAA, Zhang Z, Schneider Y, Morcom K, Lyons LJ, Wang Q, Amine K, West R
Description Syntheses of sixteen tetra- and trisiloxanes containing oligo(ethylene glycol) sidechains were reported. The siloxanes were doped with the lithium salts LiBOB or LiTFSI to form ion-conducting electrolytes. Ambient temperature conductivities ranged from 2 x 10-4 to 6 x 10-4 Scm-1. Differential scanning calorimetry also demonstrated very low glass transition temperatures for these amorphous electrolytes. Nicholas A. A. Rossi and Zhengcheng Zhang completed the synthetic work reported at the Organosilicon Research Center at the University of Wisconsin under the direction of Robert West
Faculty Lesile J. Lyons is professor of chemistry at Grinnell College
Student Yanika Schneider and Kathryn Morcom completed the ionic conductivity and DSC studies reported during the summer and fall of 2004 at Grinnell College. Schneider graduated from Grinnell in May, 2006 and will attend graduate school in polymer science at the UC Santa Barbara. Morcom graduated from Grinnell in May, 2005 and will attend medical school at the University of Massachusetts in the fall. Both students completed their research work to meet the Grinnell Chemistry Department's research requirement. Khalil Amine is the group leader of the Lithium Battery Group at Argonne National Laboratory where Qingzheng Wang completed some of the electrolyte studies
Fund Funding for the work was provided by Grinnell College, NSF-MRI, HHMI, the Department of Commerce (NIST), and Argonne National Laboratory (Advanced Technology Program).
 
( 130 )   Recorded at: 12/8/2006      
Title Molecular origin of polyglutamine. Aggregation in neurodegenerative diseases
Journal PLoS Comp Biol, 2005;1(3):230-235, Khare SD, Ding F, Gwanmesia K, Dokholyan N
Description Expansion of polyglutamine (polyQ) tracts in proteins results in protein aggregation and is associated with cell death in at least nine neurodegenerative diseases. Disease age of onset is correlated with the polyQ insert length above a critical value of 35–40 glutamines. The aggregation kinetics of isolated polyQ peptides in vitro also shows a similar critical-length dependence. While recent experimental work has provided considerable insights into polyQ aggregation, the molecular mechanism of aggregation is not well understood. Here, using computer simulations of isolated polyQ peptides, we show that a mechanism of aggregation is the conformational transition in a single polyQ peptide chain from random coil to a parallel b-helix. This transition occurs selectively in peptides longer than 37 glutamines. In the b-helices observed in simulations, all residues adopt b-strand backbone dihedral angles, and the polypeptide chain coils around a central helical axis with 18.5 6 2 residues per turn. We also find that mutant polyQ peptides with proline-glycine inserts show formation of antiparallel b-hairpins in their ground state, in agreement with experiments. The lower stability of mutant b-helices explains their lower aggregation rates compared to wild type. Our results provide a molecular mechanism for polyQ-mediated aggregation
Faculty Nikolay Dokholyan, assistant professor, Sagar D. Khare, research assistant, Feng Ding, professional fellow, Department of Biochemistry and Biophysics
Student Kenneth Gwanmesia, Department of Physics/Pre-Engineering, Delaware State University, participated in this research in the summer after his sophomore year. He will start the PhD program at Rutgers, the State University of New Jersey
Fund This research is supported by the Muscular Dystrophy Association grant, Research grant from the March of Dimes Birth Defects Foundation, and the UNC/IBM Junior Investigator Award
 
( 131 )   Recorded at: 12/8/2006      
Title Ammonium bisulfate/water: a pseudo-binary system
Journal J Phys Chem A, 2006;110:7105-7112, Beyer KD, Bothe J
Description We report the first measurements of the ice/ammonium bisulfate/letovicite invariant point. We have used our observations and solubility data to construct a complete phase diagram for this system. Utilizing phase diagram theory and the Gibbs phase rule, we conclude that this system is not a true binary system but rather a pseudo-binary system, which has a range of concentrations that can not be represented by a simple binary phase diagram, and thus must be viewed as part of the ternary system: H2SO4/(NH4)2SO4/H2O
Faculty Keith Beyer is a professor of chemistry and associate dean of the college of Science and Health at UW-L. Jameson
Student Bothe is currently a senior chemistry major and participated in this research during his sophomore and junior years as an independent research project at UW-L.
Fund This research was supported by an NSF-RUI grant
 
( 132 )   Recorded at: 12/8/2006      
Title Correlation of the rates of solvolysis of 2-furancarbonyl chloride and three Naphthoyl chlorides
Journal J Phys Org Chem, 2006;19:173-178, D’Souza MJ, Boggs ME, Kevill DN
Description The correlations of the specific rates of solvolysis of the title compounds using extended forms of the Grunwald-Winstein equation are consistent with the overall picture which is emerging for acyl chloride solvolyses, with competing addition-elimination (with rate-determining addition) and ionization (assisted by nucleophilic solvation) pathways
Faculty Malcolm J. D’Souza is professor of chemistry at Wesley College. Dennis N. Kevill is distinguished research professor of chemistry & biochemistry at Northern Illinois University
Student Mary E. Boggs completed this research project in her senior year within a Directed Research program. Currently she is in the chemistry-biology graduate program at University of Delaware
Fund This research was supported through a NIH-INBRE grant.
 
( 133 )   Recorded at: 12/8/2006      
Title Rate and product studies in the solvolyses of N,N-dimethylsulfamoyl and 2-propanesulfonyl chlorides
Journal Org Biomol Chem, 2006;4:1580-1586, Kevill DN, Park B-C, Park K-H, D’Souza MJ, Yaakoubd L, Mlynarski SL, Kyong JB
Description Contrary to earlier suggestions of an SN1 pathway for solvolyses of N,N-dimethylsulfamoyl chloride and an addition-elimination pathway for solvolyses of 2-propanesulfonyl chloride, the similarities in sensitivities to both solvent nucleophilicity and solvent ionizing power obtained for both compounds, suggests that these solvolyses can be best described as following an SN2 pathway
Faculty Malcolm J. D’Souza is professor of chemistry at Wesley College. Dennis N. Kevill is distinguished research professor of chemistry & biochemistry at Northern Illinois University. Jin Burm Kyong is professor of chemistry at Hanyang University, Ansan, Korea
Student Lamia Yaakoubd and Stacey L. Mlynarski completed this research project as part of a summer INBRE internship program. Currently Mlynarski is a junior at Wesley College and Yaakoubd is in the first-year of the chemistry graduate program at University of Delaware
Fund This research was supported through a NIH-INBRE grant.
 
( 134 )   Recorded at: 12/8/2006      
Title Kinetics of the thermal isomerization of 1,1,2,2-tetramethylcyclopropane
Journal Intnatl J Chem Kin, 2006;l38:483-488, Lewis DK, Gray TP, Katsva V, Parcella KE, Schlier J, Kalra BL, Cho J, Mish D
Description These are the third and fourth papers from this laboratory in a series of studies of the dynamics and energetics of the multiple competing isomerization reactions of alkyl-substituted cyclopropanes. Reactants are heated over a wide range of temperatures in shock tubes and static reactors; product isomers are identified and quantified through GC, GCMS and FTIR; and the energy barrier to each competing isomerization is accurately calculated. Addition of one or two methyl substituents to cyclopropane lowers the energies of the C-C ring bonds as expected, but these recent studies show that addition of the third and fourth methyl groups progressively raises the activation energies, reversing the trend. Apparently, as more and more substituents are added, distortion of the isomerization transition states due to steric interactions overtakes the expected ring weakening in importance. Our methylcyclopropane isomerization data sets provide an experimental basis for testing the predictive accuracy of computational studies of cyclopropane rearrangements – an area of intense activity in recent years
Faculty David Lewis is the Margaret W. Kelly professor of chemistry at Connecticut College, and Bansi Kalra is professor of chemistry at Hollins University
Student Janet Cho and Debra Mish, both from Hollins University, participated in this research during the summers after their junior/senior and freshman years, respectively; both are presently employed in industry. Jessica Schlier, from Wesleyan University, worked on this project the summers after her sophomore and junior years, and is also currently employed in industry. The other seven were Connecticut College undergraduates. Timothy Gray, Steven Hughes, Vlad Katsva, Justine Miller, Kyle Parcella and Sara Wilkinson each participated in this research in the summer after their freshman year, while Kevin Wilkinson worked the summers after his junior and senior years. Gray, Hughes and both Wilkinsons are presently in Ph.D. graduate programs; Katsva and Parcella are employed in industry; and Miller will be a senior this year
Fund The research was supported by two NSF-RUI grants, a Cottrell College Science Grant from Research Corporation and a grant to Connecticut College from the W.M. Keck Foundation
 
( 135 )   Recorded at: 12/8/2006      
Title Kinetics of the thermal isomerization of 1,1,2-trimethylcyclopropane
Journal Intnatl J Chem Kin, 2006;38:475-482, Lewis DK, Hughes SV, Miller JD, Schlier J, Wilkinson KA, Wilkinson SR, Kalra BL
Description These are the third and fourth papers from this laboratory in a series of studies of the dynamics and energetics of the multiple competing isomerization reactions of alkyl-substituted cyclopropanes. Reactants are heated over a wide range of temperatures in shock tubes and static reactors; product isomers are identified and quantified through GC, GCMS and FTIR; and the energy barrier to each competing isomerization is accurately calculated. Addition of one or two methyl substituents to cyclopropane lowers the energies of the C-C ring bonds as expected, but these recent studies show that addition of the third and fourth methyl groups progressively raises the activation energies, reversing the trend. Apparently, as more and more substituents are added, distortion of the isomerization transition states due to steric interactions overtakes the expected ring weakening in importance. Our methylcyclopropane isomerization data sets provide an experimental basis for testing the predictive accuracy of computational studies of cyclopropane rearrangements – an area of intense activity in recent years
Faculty David Lewis is the Margaret W. Kelly professor of chemistry at Connecticut College, and Bansi Kalra is professor of chemistry at Hollins University.
Student Janet Cho and Debra Mish, both from Hollins University, participated in this research during the summers after their junior/senior and freshman years, respectively; both are presently employed in industry. Jessica Schlier, from Wesleyan University, worked on this project the summers after her sophomore and junior years, and is also currently employed in industry. The other seven were Connecticut College undergraduates. Timothy Gray, Steven Hughes, Vlad Katsva, Justine Miller, Kyle Parcella and Sara Wilkinson each participated in this research in the summer after their freshman year, while Kevin Wilkinson worked the summers after his junior and senior years. Gray, Hughes and both Wilkinsons are presently in Ph.D. graduate programs; Katsva and Parcella are employed in industry; and Miller will be a senior this year
Fund The research was supported by two NSF-RUI grants, a Cottrell College Science Grant from Research Corporation and a grant to Connecticut College from the W.M. Keck Foundation
 
( 136 )   Recorded at: 12/8/2006      
Title Quantum chemical and master equation studies of the methyl vinyl carbonyl oxides formed in isoprene ozonolysis
Journal J Phys Chem A, 2005;109:10710-10725, Kuwata KT, Valin LC, Converse AD
Description Methyl vinyl carbonyl oxides are an important class of intermediates formed in the reaction of ozone with isoprene, both of which are abundant in the troposphere. A variety of computational chemistry techniques were used to predict the fates of these intermediates. According to the calculations, the kinetically favored pathway involves the electrocyclization of the carbonyl oxide to form a dioxole. Neither the dioxole or its derivatives have previously been considered in atmospheric chemistry mechanisms
Faculty Keith Kuwata is an associate professor of chemistry at Macalester College
Student Amber Converse began this project the summer after her sophomore year. Lukas Valin continued this project the summers after his sophomore and junior years, and wrote a senior honors thesis based on his results. Converse is currently a chemistry teacher at Phillips Academy in Andover, Massachusetts, and Valin is starting graduate work in chemistry at the University of California, Berkeley this fall
Fund Their research was supported by a PRF grant
 
( 137 )   Recorded at: 12/8/2006      
Title Crown ether-metal sandwiches as linking mechanisms in assembled nanoparticle films
Journal Thin Solid Films, 2006;510:311-319, Pompano RR,* Wortley PG,* Moatz LM,* Tognarelli DJ,* Kittredge KW, Leopold MC
Description Crown ether ligands attached to monolayer-protected clusters (MPCs) were assembled as films and the linking mechanism between the crown ether–metal ion–crown ether bridges between nanoparticles was examined. Quantized double layer charging peaks suggest that film growth is selective toward a specific core size or exchange rate, either of which affect the number of potential linking ligands in the periphery of the MPCs. The exchange reaction parameters are in stark contrast to other types of MPC film assemblies
Faculty Kevin Kittredge is an assistant professor in the Department of Biochemistry and Chemistry at Miami University. Mike Leopold is an assistant professor of chemistry at the University of Richmond
Student Rebecca Pompano, Phillip Wortley, Leslie Moatz, and DJ Tognarelli participated in this research at the University of Richmond during their junior and senior years, including the summer after the junior year. Tognarelli continued through a second summer as well. Tognarelli and Moatz are currently employed in industry. Pompano is in a graduate program in chemistry at the University of Chicago, and Wortley is in medical school at the University of Texas, Galveston
Fund The research was supported through a National Science Foundation grant to Kittredge, a grant from the Thomas F. Jeffress and Kate Miller Jeffress Memorial Trust to Leopold, and University of Richmond Undergraduate Research Committee.
 
( 138 )   Recorded at: 12/8/2006      
Title Optical, redox, and NLO properties of tricyanovinyl oligothiophenes: Comparisons between symmetric and asymmetric substitution patterns
Journal Chem Eur J, 2006;12:5458-5470, Pappenfus TM, Williams N, Stegner WJ, Johnson JC, Edlund BA, et al
Description A series of tricyanovinyl (TCV)-substituted oligothiophenes was synthesized and investigated with a number of physical methods including UV/Vis, IR, and Raman spectroscopy, nonlinear optical (NLO) measurements, X-ray diffraction, and cyclic voltammetry. The comparative effects of the symmetric and asymmetric substitutions in the electronic and molecular properties were addressed. To the general reader, this paper combines physical methods with modern theoretical approaches to better understand advanced molecules and materials, which will play a prominent role in many future technologies. This research was a collaborative effort between several institutions.
Faculty Ted Pappenfus is an assistant professor of chemistry at the University of Minnesota, Morris.
Student William Stegner and Nathaniel Williams began the project during the Introduction to Research course required of UMM’s chemistry majors. Jared Johnson and Brett Edlund participated in this research the summer after their sophomore years. Johnson is completing his Spanish major at UMM and Edlund is employed in industry
Fund This research was supported through a Grant-in-Aid of Research, Artistry and Scholarship from the Office of the Dean of the Graduate School of the University of Minnesota.
 
( 139 )   Recorded at: 7/21/2006      
Title Conformational equilibrium of ethoxytrichlorosilane investigated by infrared and Raman spectroscopy and by ab initio calculations
Journal . Bulg Chem Commun, 2005;37:332-343, Horn A, Klaeboe P, Nielsen CJ, Samdal S, Guirgis GA, Witkowski WA
Description The title compound was synthesized and characterized by Raman, IR and NMR spectroscopic methods. The experimental spectroscopic data were compared to the ab initio based predictions for the same spectroscopic features. In this manner we were able to confirm that the predicted conformational stability and energy for this molecule were identical to those obtained experimentally.
Faculty Gamil Guirgis is retired from industry and now holds a special appointment as a University Professor of Sciences and Mathematics in the Department of Chemistry and Biochemistry at the College of Charleston. Anne Horn (Specialist), Peter Klaeboe (Professor), Claus J Nielsen (Professor) and Svein Samdal (Professor) are research collaborators at the University of Oslo in Norway.
Student Witold A Witkowski participated in this research as an undergraduate student at the College of Charleston starting in the spring of his junior year and following on through the summer after graduating in his senior year. Witkowski is currently in the graduate program at the University of Massachusetts – Amherst.
Fund Witold was supported on this project in his senior year with an internal, competitive grant from the College of Charleston Academic Year Research Award program.
 
( 140 )   Recorded at: 7/21/2006      
Title Vibrational spectroscopic studies, conformations and quantum chemical calculations of 3,3,3-trifluoropropylsilane
Journal J Raman Spect, 2006;37:29-51, Klaeboe P, Guirgis GA, Witkowski WA, Horn A, Nielsen CJ
Description The title compounds were synthesized and characterized by Raman, IR and NMR spectroscopic techniques. The experimental spectroscopic data were compared to the ab initio based predictions for the same spectroscopic features. In this manner we were able to confirm that the predicted conformational stabilities, structures and energies are identical to those obtained experimentally
Faculty Gamil Guirgis is retired from industry and now holds a special appointment as a University Professor of Sciences and Mathematics in the Department of Chemistry and Biochemistry at the College of Charleston. Peter Klaeboe (Professor), Anne Horn (specialist), and Claus J Nielsen (professor) are all at the University of Oslo in Norway.
Student Witold A Witkowski participated in this research as an undergraduate student at the College of Charleston starting in the spring of his junior year and following on through the summer after graduating in his senior year. Witkowski is currently in the graduate program at the University of Massachusetts – Amherst. Part of that summer experience included a trip to Norway to spend six weeks in the labs of Professors Klaboe, Nielsen and Horn to obtain the Raman measurements on the compounds that he prepared with his mentor at the College of Charleston.
Fund Witold was supported on this project in the summer between his junior and senior years with an internal, competitive grant from the College of Charleston Summer Undergraduate with Faculty program.
 
( 141 )   Recorded at: 7/21/2006      
Title Relevance of pi-pi and dipole-dipole interactions for retention on cyano and phenyl columns in reversed-phase liquid chromatography
Journal J Chromat, 2005;1098:123-120, Croes K, Steffens A, Marchand DH, Snyder LR
Description Previous work suggests that pi-pi interactions between certain solutes and both phenyl and cyano columns can contribute to the selectivity of these two columns versus alkylsilica columns. The present study confirms such interactions do occur with methanol/water as the mobile phase, while acetonitrile/water tends to suppress the interactions
Faculty Ken Croes is a staff member at University of Wisconsin – River Falls. Dan Marchand is an associate professor at UW – RF. Lloyd Snyder is a staff scientist at LC Resources Inc.
Student Amanda Steffens is currently a senior in chemistry at UW – RF; she participated in the research as a junior
 
( 142 )   Recorded at: 7/21/2006      
Title Chloro[hydrotris(pyrazol-1-yl)borato]oxo(1H-pyrazole)vanadium(IV)
Journal Acta Crystall, 2005;E61:m2379-m2381, McLauchlan CC, McDonald KJ
Description A vanadium coordination complex containing a tridentate hydrotris(pyrazol-1-yl)borate ligand (Tp-), a vanadium(IV) center, an oxo ligand, a chloro ligand and a neutral pyrazole ligand was synthesized by hydrolysis from a TpVCl2(N,N-dimethylformamide) precursor. The crystal structure of the hydrolyzed product shows a vanadium(IV) in a pseudo-octahedral coordination geometry, which is unusual for a VO cation
Faculty Craig C. McLauchlan is an assistant professor of chemistry at Illinois State University
Student Kenneth J. McDonald participated in this research during the Spring and Fall semesters of his senior year. Ken is currently finishing his MS in Chemistry and will begin work towards his PhD soon.
Fund This work was supported by Illinois State University, the National Institutes of Health Bridges Program, and the Illinois Department of Higher Education
 
( 143 )   Recorded at: 7/21/2006      
Title Qualitative and quantitative analysis of illicit drugs on paper currency using Raman microspectroscopy
Journal App Spec, 2005;59:1493-1497, Noonan KY, Beshire M, Darnell J, Frederick KA
Description Illicit drugs, such as cocaine and methamphetamine, can be found on paper currency which has recently been involved with drug trade. Raman microspectroscopy is used as a non-destructive method for identifying individual drug crystals from a heterogeneous street drug mixture on dollar bills. Several methods eliminating background fluorescence from the dollar bills are successfully implemented including background subtraction and photobleaching. Finally, a systematic crystal counting routine is utilized to get quantitative information about the entire drug mixture with an error of a few percent
Faculty Kimberley Frederick is an associate professor of chemistry at the College of the Holy Cross.
Student Kathryn Noonan started working on this project as a first year student and is currently a junior. Melissa Beshire conducted research during her senior year and is currently working in industry. Jason Darnell worked on this project while a student at Whittier College during his first year
Fund Funding, including two summers of salary support for Kathryn Noonan, was provided by the College of the Holy Cross
 
( 144 )   Recorded at: 7/21/2006      
Title Effects of torsion on O-H stretch overtone spectra and direct overtone photolysis of methyl hydroperoxide
Journal J Chem Phys, 2005;123:234306-1 - 234306-9, Haynes LM, Vogelhuber KM, Pippen PL, Hsieh S
Description Methyl hydroperoxide, a common organic hydroperoxide in the atmosphere, undergoes photochemistry that releases OH radicals, which are active players in atmospheric chemistry. Its absorption spectra in the visible region show features for exciting O-H stretch overtones and also torsional motion about the O-O bond. Calculations confirm the spectral assignments, and detection of OH radicals by laser-induced fluorescence reveal which of the torsion-vibration states dissociate to generate OH radicals
Faculty Shizuka Hsieh is an assistant professor of chemistry at Smith College.
Student Laura Haynes, who developed the methods for simulating spectra, participated in three summers of research at Smith College and pursued computational work during her junior and senior years as an Honors thesis. Laura is a graduate student in physical chemistry at the University of Colorado, Boulder. Kristen Vogelhuber and Jessica Pippen collected the bulk of the data during the summer before their senior years. Kristen, who also participated in research during her junior year, continues her experimental work as a senior Honors thesis
Fund The authors thank Research Corporation, the American Chemical Society Petroleum Res