Recent Accomplishments in Chemistry
Bucknell chemistry faculty members are indicated in bold,
*Bucknell undergraduates are indicated by an asterisk*
*Husar, DE; Temelso, B; Ashworth, AL; Shields, GC "Hydration of the Bisulfate Ion: Atmospheric Implications" J Phys. Chem. 116, 5151-5163. (2012)
Perez, C; Muckle, MT; Zaleski, DP; Seifert, NA; Temelso, B; Shields, GC; Kisiel, Z; Pate, BH, "Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy" Science, 336, 897-901. (2012)
Temelso, B; Morrell, TE; Shields, RM ; Allodi, MA; Wood, EK; Kirschner, KN; Castonguay, TC; Archer, KA; Shields, GC, "Quantum Mechanical Study of Sulfuric Acid Hydration: Atmospheric Implications" J. Phys. Chem A, 116, 2209-2224. (2012)
Karen J. Castle, Labe A. Black#, Michael W. Simione*, and James A. Dodd, "Vibrational Relaxation of CO2(n2) by O(3P) in the 142-490 K Temperature Range" J. Geophys. Res 117, A04310 (2012).
H.K. Lenker*, T.G. Gray and R.A. Stockland Jr.,"Rapid Synthesis of Arylgold Compounds Using Dielectric Heating." Dalton Transactions, (2012, accepted, in press).
*Voter, AF; Tillman, ES; Findeis, PM; Radzinski, SC "Synthesis of Macrocyclic Polymers Formed Via Intramolecular Radical Trap-Assisted Atom Transfer Radical Coupling" ACS Macro Letters, 1, 1066-1070. (2012)
Y. Guy, A.H. Faraji, C.A. Gavigan*, T.G. Strein, S.G. Weber, "Iontophoresis From a Micropipet into a Porous Medium Depends on the zeta-Potential of the Medium", Analytical Chemistry 84(5), 2179-2187. (2012)
H.K. Lenker*, M.E. Richard*, K.P. Reese*, A.P. Carter*, J.D. Zawisky*, E.F. Winter*, T.W. Bergeron, K.S. Guydon*, R.A. Stockland Jr., "Phospha-Michael Additions to Activated Internal Alkenes: Steric and Electronic Effects ", J. Org. Chem. 77, 1378-1385. (2012)
S. Paramasivam, C.L. Suiter, G.J. Hou, S.J. Sun, M. Palmer*, J.C. Hoch, D. Rovnyak, T. Polenova, "Enhanced sensitivity by nonuniform sampling enables multidimensional MAS NMR spectroscopy of protein assemblies", J. Phys. Chem B. 116(25), 7416-7427. (2012)
B. W. Williams, "Alternate solutions for two particular third order kinetic rate laws", J. Math. Chem. 49, 328-334 (2011).
Faraji, A.H.; Cui, J.J.; Guy, Y.; Li, L.; *Gavigan, C.A. Strein, T.G. and Weber,S.G. "Synthesis and Characterization of a Hydrogel with Controllable Electroosmosis: A Potential Brain Tissue Surrogate for Electrokinetic Transport" Langmuir, 2011, 27 (22), pp 13635-13642.
G.F. Manbeck*, M.C. Kohler*, M.R. Porter*, and R.A. Stockland Jr., "P-H activation using alkynylgold substrates: steric and electronic effects". Dalton Transactions 2011, 40, 12595-12606. This paper has been selected as a 2011 "HOT Article."
Alcala, M.A.; Shade, C.M; Uh, H.; Kwan, S.Y.; Bischof, M.; Thompson, Z.P.; Gogick, K.A.; *Meier, A.R.; Strein, T.G.; Bartlett, D.L.; Modzelewski, R.R.; Lee, Y.J.; Petoud, S.; Brown, C.K. "Preferential accumulation within tumors and in vivo imaging by functionalized luminescent dendrimer lanthanide complexes" Biomaterials, 32, 2011, 9343-9352
Rovnyak, D., *Sarcone, M.S., *Jiang, Z.,"Sensitivity Enhancement for Maximally Resolved Two-Dimensional NMR Spectra by Nonuniform Sampling" Magnetic Resonance in Chemistry 49(8), 483-491 (2011) "
Stahl, J. W.; *Catherman, A.D.; Ranasinghe S.K.; Seniveratne, C.A.; Strein, T.G. "Investigating the Effects of Conductivity of Zone Overlap with EMMA: Computer Simulation and Experiment" Electrophoresis 32, 2011, 1492-1499.
Butcher, W.E.; Tillman, E.S. "Hydrogen Abstraction Followed by Nitroxide Mediated Polymerization: Synthesis of 2,7-Dibromofluorene-Labeled Polystyrene" Macromolecular Chemistry and Physics 20, 2224-2233 . (2011)
Radzinski, S.C.; Tillman, E.S. "Trapping Polystyrene Radicals Using Nitrones: Synthesis of Polymers with Mid-chain Alkoxyamine Functionality" Polymer, 52, 6003-6010. (2011)
P.D. Pickett, S.C. Radzinski, E.S. Tillman, "Probing the Effects of pi-pi Stacking on the Controlled Radical Polymerization of Styrene and Fluorinated Styrene", J. Polymer Science A - Polymer Science 50(1), 156-165. (2011)
*Richard, Marcia E., *Reese, Kyle P., Stone, Joshua J., Pickett, Phillip D., Tillman, E. S.,Stockland, R. A. Jr.,"Probing the steric limits of rhodium catalyzed hydrophosphinylation. P-H addition vs. dimerization/oligomerization/polymerization", Journal of Organometallic Chemistry, V696(1), 123-129 (2011).
Lucas E. Chohany*, Kathleen A. Bishop*, Hannah Camic, Stephen J. Sup, Peter M. Findeis and Charles H. Clapp, “Cationic Substrates of Soybean Lipoxygenase-1” Bioorganic Chemistry 39, 94-100 (2011).
Pickett, P.D.; Tillman, E.S.; *Voter, A.F. "Effect of Pi-pi Stacking on the Atom Transfer Radical Polymerization of Styrene" Polymer, 52, 55-62 (2011).
Morris TA. "Go chemistry: A card game to help students learn chemical formulas" J Chem Educ. 88(10), 1397-1399 (2011).
Temelso B, Archer KA, Shields GC. "Benchmark structures and binding energies of small water clusters with anharmonicity corrections" Journal of Physical Chemistry A, 115(43), 12034-12046 (2011)
Temelso B, Shields GC. "The role of anharmonicity in hydrogen-bonded systems: The case of water clusters" Journal of Chemical Theory and Computation 7(9), 2804-2817 (2011)
Shields RM, Temelso B, Archer KA, Morrell TE, Shields GC. "Accurate predictions of water cluster formation, (H2O)(n=2-10)" Journal of Physical Chemistry A, 114(43), 11725-11737, (2010)
Castle, K.J., Rink, S.M.,"Customized Laboratory Experience in Physical Chemistry", J. Chem. Ed., 87(12), 1360-1363 (2010).
Robert M. Shields, Berhane Temelso, Kaye A. Archer, Thomas E. Morrell, George C. Shields,"Accurate predictions of water cluster formation, (H2O)n=2-10", J. Phys. Chem. A 114(43), 11725-11737 (2010).
B.W. Williams,"The Utility of the Lambert Function W[a exp(a - bt)] in Chemical Kinetics", Journal of Chemical Education, V87(6), 647-651 (2010).
*Voter, A.F. ; Tillman, E.S. "An Easy and Efficient Route to Macrocyclic Polymers Via Intramolecular Radical-Radical Coupling of Chain Ends" Macromolecules, 43, 10304-10310 (2010).
Leasure, J.G.; Tillman, E.S., *Brinkman, C.E.; *Monk, I.W.; *Cohen, N.A. "Effect of Temperature, Solvent, Lewis Acid, and Additives on the Polymerization of t-Butyl Vinyl Ether Using Lewis Acid-induced N-Methyleneamines as Cationic Initiators" Polymer International 59(5), 642-647 (2010).
*Domingues, K.D. ; Tillman, E.S. "Radical-radical Coupling of Polystyrene Chains Using AGET ATRP" Journal PolymerScience Part A: Polymer Chemistry, 48, 5737-5745 (2010).
*Manbeck, G.F., Brennessel, W.W.,Stockland, R.A. Jr., Eisenberg, R.," Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters", J. Am. Chem. Soc., V132(35) 12307-12318 (2010).
*Merola, E.T.; *Catherman, A.D., Yehl, J.B.; Strein, T.G. "Determination of Total Antioxidant Capacity of Commercial Beverage Samples by Capillary Electrophoresis using 2,6-Dichloroindophenol" J. Ag and Food Chem. 57(15), 6518-6523 (2009).
*Merola, R.B. and M.M. McGuire, "Crystallographic Site Distribution and Redox Activity of Fe in Nontronites Determined by Optical Spectroscopy," Clays and Clay Minerals, 57(6), 771-778 (2009).
*Bzdek, B.R., and M.M. McGuire, "Polarized ATR-FTIR Investigation of Fe Reduction in the Uley Nontronites," Clays and Clay Minerals, 57(2) 227-233 (2009).
*Contrella, N.D.; Tillman, E.S.; Leasure, J.G.; *Monk, I.W. "Synthesis of Polystyrene-block-Poly(methyl methacrylate) with Fluorine at the Junction: Sequential Anionic and Controlled Radical Polymerizations From a Single Carbon " Macromolecular Chemistry and Physics 210(24), 2167-2173, (2009).
*Cohen, N.A.; Eric S. Tillman, Thakur, S.; *Smith, J.R.; Eckenhoff, W.T.; Pintauer, T. "Effect of the Ligand in Atom Transfer Radical Polymerization Reactions Initiated By Photodimers of 9-Bromoanthracene" Macromolecular Chemistry and Physics 210(3), 263-268 (2009).
Tillman, E.S.; *Contrella, N.D.; Leasure, J.G. "Monitoring the Nitroxide Mediated Polymerization of Styrene Using Gel Permeation Chromatography and Proton NMR", Journal of Chemical Education 86(12), 1424 (2009).
Stockland, R.A. Jr.,"Microwave Heating as a Tool for Clean Organic Synthesis" in Microwave Heating as a Tool for Sustainable Chemistry, CRC Press, in press (2009-2010).
Kohler, M.C.*; Sokol, J. G.*; Stockland, R. A. Jr., "Development of a Room Temperature Hirao Reaction", Tetrahedron Lett. 50, 457 (2009).
M. C. Kohler*, T. V. Grimes, X. Wang, T. R. Cundari, Stockland, R. A. Jr.,"Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions", Organometallics 28, 1193 (2009).
D. Rovnyak, Kennedy, P.E, "Application of shaped adiabatic pulses to MQMAS spectrsoscopy of Spin 3/2 nuclei", Journal of Magnetic Resonance, 196, 191-199(2009).
Mason, P.E.*, Schildt, D.C., Strein, T.G.,"In-capillary determination of creatinine with electrophoretically mediated microanalysis: characterization of the effects of reagent zone and buffer conditions", Journal of Chromatography A V1216, 154-158 (2009).
Williams, B.W., Celius, T.C.,"New Potentials for Old: The Darboux Transformation in Quantum Mechanics", Journal of Chemical Education V85, 576-585 (2008).
Kennedy, P.E., Francis, N., Rovnyak, D., Kastner, M.E.,"Redetermination of cis-diaquadiglycolatozinc(II)", Acta Crystallographica Section E: Structure Reports Online E64, 1635 (2008).
Fretwell, J., Ismail, S., Cummings, J., Selby, T.L.,"Characterization of a randomized FRET library determination for protease specifity determination", Molecular Biosystems V4(8) 862-870 (2008).
Ozyurt, S., Selby, T.L.,"Computational active site analysis of molecular pathways to improve functional classification of enzymes", Proteins - Structure, Function and Bioinformatics V72(1) 184-196 (2008).
*Hebling, C.M., *Thompson, L.E., Eckenroad, K.W., *Manley, G.A., Fry, R.A., Mueller, K.T., Strein, T.G., Rovnyak, D.,"Sodium cholate aggregation and chiral recognition of the probe molecule R,S-1,1'-binaphthyl-2,2'diylhydrogenphosphate (BNDHP) observed by 1H and 31P NMR spectroscopy", Langmuir 24, 13866-13874 (2008).
N. D. Contrella*, Eric S. Tillman,"Synthesis and characterization of fluorene-labeled polymers prepared by nitroxide mediated polymerization" Polymer V49, 4076-4079 (2008).
Sona Thakur, J. R. Smith*, Eric S. Tillman, N. A. Cohen*, N. D. Contrella*,"9-Bromoanthracene photodimers as initiators in controlled radical polymerization: silane radical abstraction coupled with nitroxide mediated polymerization", Journal of Polymer Science, Part A: Polymer Chemistry, V46, 6016-6022 (2008).
S. Thakur, *N. A. Cohen, Eric S. Tillman,"Chain extension and block copolymer synthesis using silane radical atom abstraction coupled with nitroxide mediated polymerization", Polymer V49, 1483-1489 (2008).
David Rovnyak,"Tutorial on analytic theory for cross polarization in solid state NMR", Concepts in Magnetic Resonance Part A, V32A(4), 254-276 (2008).
Sona Thakur, Eric S. Tillman,"Efficient metal-free coupling of polystyrene chains using silane radical atom abstraction", Journal of Polymer Science, Part A: Polymer Chemistry V45, 3488-3493 (2007).
J. Ryan Bailey and Molly M. McGuire,"ATR-FTIR observations of water structure in colloidal silica: Implications for the hydration force mechanism", Langmuir V23(22), 10995-10999 (2007).
David Rovnyak, Robert A. Stockland Jr.,Editors,"Modern NMR Spectroscopy in Education", Oxford University Press, ACS Symposium Series (2007).
Karen J. Castle, "High-resolution vibration-rotation spectroscopy: Understanding the Boltzmann Distribution", Journal of Chemical Education V84, 459 (2007).
Eric S. Tillman, Daniel S. Miller*, Amanda C. Roof*, "Photodimers of 9-Haloanthracenes as Initiators in Atom transfer Radical polymerization: Effect of the bridgehead Halogen", Polymer Bulletin 2007, 58, 881-891.
Jayne A. Kubat*, James, J. Chou, David Rovnyak,"Application of nonuniform sampling and maximum entropy reconstruction to the accuracte measurement of residual dipolar couplings", Journal of Magnetic Resonance,186 201-211 (2007).
Laura E. Thompson*, David Rovnyak, "Accessible NMR experiments studying the hydrodynamics of 15N-enriched ubiquitin at low fields", Biochemistry and Molecular Biology Education, 2007, 35, 49-56.
R.Brit Merola,* Eric D. Fournier,* and M.M. McGuire, "Spectroscopic investigations of Fe2+ complexation on nontronite clay," Langmuir, 2007, V23(3), 1223-1226.
R. A. Stockland Jr., B. D. Wilson, C. C. Goodman, B. J. Giese* and F. L. Shrimp II*, "Synthesis, Characterization, and Reactivity of a Hexane Soluble Silver Salt." Journal of Chemical Education, 84, 694 (2007).
Jeffrey N. McKnight*; Eric S. Tillman; Louis R. Sarry* “Lewis Acid-Induced N-methyleneamines as Initiators in the Syn thesis of Secondary Amine-Terminated Polymers” Macromolecular Rapid Communications 2006, 27, 1578-1583.
Eric S. Tillman; Amanda C. Roof*; Steven M. Palmer*; Beth Ann Zarko*; Caton C. Goodman; Alissa M. Roland* “Synthesis of Chromophore-labeled Polymers and their Molecular Weight Determination Using UV-Vis Spectroscopy” Journal of Chemical Education 2006, 83, 1215-1217.
Amanda C. Roof* ; Eric S.; Tillman, Raleigh E. Malik*; Alissa M. Roland*; Daniel J. Miller*; Louis R. Sarry* “Mechanistic Investigation of 9-Bromoanthracene Photodimers as Initiators in Atom Transfer Radical Polymerization” Polymer 2006, 47, 3325-3335.
J. L. Jamison, L. Davenport and B. W. Williams, "Solvatochromism in the aromatic ketone benzo[b]fluorenone", Chem. Phys. Lett. 422 (2006) 30-35.
M.C. Kohler*, R. A. Stockland Jr., and N. P. Rath, "Steric and Electronic Effects on Arylphosphonate Elimination from Organopalladium Complexes", Organometallics 2006, 25, 5746-5756.
R. A. Stockland Jr., M. C. Kohler*, I. A. Guzei*, M. E. Kastner, J. A. Bawiec, III, R. B. Hochberg*, and D. C. Labaree, "Organometallic Complexes Containing 17-Ethynyl-17b-hydroxyandrost-4-en-3-one and Related Ethynyl Steroids" Organometallics 2006, 25, 2475-2485.
R. A. Stockland Jr., A. J. Lipman*, J. A. Bawiec, P. E. Morrison*, I. A. Guzei*, P. M. Findeis, J. F. Tamblin, "Remarkable tolerance of ethynyl steroids to air and water in hydrophosphinylation reactions: Reaction scope and limitations. J. Organomet. Chem. 2006, 691, 4042.
Eckenroad, K.W.; Thompson*, L.E.; Strein, T.G.; Rovnyak, D. "Proton NMR assignments for R,S-1,1-binapthyl (BN) and R,S-1,1-binaphthyl-2,2-diyl hydrogen phosphate (BNDHP) interacting with bile salt micelles" Magnetic Resonance in Chemistry, 2006, V45, 72-75.
Karen J. Castle, Katherine M. Kleissas*, Justin M. Rhinehart, Eunsook S. Hwang, and James A. Dodd, “Vibrational Relaxation of CO2(n2) by Atomic Oxygen” Journal of Geophysical Research, V111, A09303, (2006). doi:10.1029/2006JA011736.
Charles H. Clapp, Matthew Strulson, Pamela C. Rodriguez, Richmond Lo*, and Mark J. Novak “Oxygenation of Monounsaturated Fatty Acids by Soybean Lipoxygenase-1: Evidence for Transient Hydroperoxide Formation”, Biochemistry , 45, 15884-15892 (2006).
Tim Strein, Camille and Henry Dreyfus Foundation; Jean Dreyfus Biossevain Lectureship "Depth with Flair: Bring in Zare" $18,500, 2010-2012.
Molly McGuire, NSF-RUI, "RUI: in situ investigations of clay mineral swelling using atomic force microscopy" $119,572, 2011-2014.
David Rovnyak and Tim Strein, NSF-RUI "RUI: Molecular Characterization of Aggregation and Guest-Host Solvation by Bile Acids" $159,185, 2012-2015.
Charlie Clapp, NSF-RUI "RUI: Substrate Binding and Regiochemical Control by Soybean Lipoxygenase-1" $50,000, 2012-2015.
George Shields, NSF-RUI, "RUI: Thermodynamics of Secondary Aerosol Formation: The Role of Binary and Ternary Nucleation" $105,000, 2012-2015.
George Shields, NSF-MRI "MRI: Acquisition of High Performance Computers for the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY)" $200,000, 2012-2015.
Tim Strein, Beckman-Coulter Instrument Grant Program "Biopharma to Education: CE" $75,000, 2012.
Rob Stockland, ACS-Petroleum Research Fund "P-H Activation Using Alkynylmetal Complexes: New Methodology for the Preparation of Metallopolymers" $65,000, 2012-2015.
Will Kerber, Undergraduate New Investigator award from the Petroleum Research Fund,"Iron(III) Oxidation of Carboxylic Acids and Phenols as Models for the Abiotic Transformation of Natural Organic Matter" 2012.
David Rovnyak, National Institutes of Health - Academic Research Enhancement Award (AREA), (2009-2011),"Structural biology of the catalytic domain of bacteriophage T4 primase", $206,423.
Molly McGuire, Timothy Raymond, Meckenna Foundation Supplemental Grant, (2009-2010), "Atomic force microscopy for environmental research", $3300.
Karen Castle, National Science Foundation - Research at Undergraduate Institutions through the CEDAR Program, Aeronomy Division (2007-2010),"Quenching of vibrationally-excited ozone by atomic oxygen", $167,760.
Eric Tillman (PI), National Science Foundation - Research at Undergraduate Institutions, (2007-2010) "Synthesis of amine-terminated polymers using Lewis Acid-Induced N-methyleneamines as cationic initiators", $135,023.
Molly McGuire (PI), Erin Jablonski (Co-PI, Chem. Eng.), Timothy Raymond (Co-PI, Chem. Eng.), National Science Foundation - Major Research Instrumentation, (2007-2010) "Acquisition of an Atomic Force Microscope to Enhance Interdisciplinary Research at Bucknell University", $180,673
David Rovnyak (PI) and Timothy Strein (co-PI), (2007-2010) ACS-Petroleum Research Fund, "Examining Hydrodynamic and solubilization properties of micelles formed by chiral amphiphiles", $55,000
Karen Castle, James A. Dodd, (2007-2010) NASA Geospace Science Program,"Temperature dependent CO2-O vibrational energy transfer". $208,067
Timothy Strein, National Institutes of Health - Academic Research Enhancement Award (AREA), (2007-2010), "Bioanalytical CE: Mixing, reacting, separating, and stacking", $218,899
Eric S. Tillman: (2005) Cottrell College Science Award, Research Corporation, "Anthracene photodimers in atom transfer radical polymerizations". $41,566
David Rovnyak: (2005) Cottrell College Science Award, Research Corporation, "Towards new relationships between metal coordination geometry and protein function in unusual zinc-binding cytoplasmic domains" $44,836