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2013
Understanding precision nitrogen stress to optimize the growth and lipid content tradeoff in oleaginous green microalgae, Curtis Adams, Valerie Godfrey, Bruce Bugbee, Brad Wahlen, and Lance Seefeldt
Investigation of Antibacterial Mode of Action for Traditional and Amphiphilic Aminoglycosides, Venkatareddy Udumula, Young Wan Ham, Marina Y. Fosso, Ka Yee Chan, Ravi Rai, Jianjun Zhang, Jie Li, and Cheng-Wei Tom Chang
2012
A 3‐dimensional time‐resolved photothermal deflection “Mirage” method, N. G.C. Astrath, L. C. Malacarne, G. V.B. Lukasievicz, H. S. Bernabe, J. H. Rohling, M. L. Baesso, J. Shen, and Stephen E. Bialkowski
The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B, Tiago A.S. Brandão, Alvan C. Hengge, and Sean J. Johnson
BOTPPI, a New Wittig Salt Used in the Synthesis of 12-(S)-Hydroxy-Eicosatetraenoic Acid [12-(S)-HETE], M. A. Christiansen and M. B. Andrus
2011
Synthesis of Substrates to Probe the Biochemistry of the Ecteinascidin 743 (ET-743) Biosynthetic Gene Cluster, M. A. Christiansen, A. Jimenez-Somarribas, C. M. Rath, R. M. Williams, and D. H. Sherman
A Compact Pulsed Infrared Laser Excited Photothermal Deflection Spectrometer, Oluwatosin O. Dada and Stephen E. Bialkowski
Time‐Resolved Thermal Lens and Thermal Mirror Spectroscopies with Sample‐Fluid Heat Coupling: A Complete Model for Material Characterization, Luis C. Malacarne, Nelson G.C. Astrath, Gustavo V.B. Lukasievicz, Ervin K. Lenzi, Mauro L. Baesso, and Stephen E. Bialkowski
Meta-omic characterization of the marine invertebrate microbial consortium that produces the chemotherapeutic natural product ET-743, C. M. Rath, B. Janto, J. Earl, A. Ahmed, F. A. Hu, L. Hiller, M. Dahlgren, R. Kreft, F. Yu, J. J. Wolff, H. K. Kweon, M. A. Christiansen, K. Hakansson, R. M. Williams, G. D. Ehrlich, and D. H. Sherman
Insights into the Phosphoryl Transfer Mechanism of Cyclin-Dependent Protein Kinases from ab Initio QM/MM Free-Energy Studies, Gregory K. Smith, Zhihong Ke, Hua Guo, and Alvan C. Hengge
2010
Definition of the Hydrogen Bond, E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, Steve Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Duannenberg, P. Hobza, H. G. Kiaergaard, A. C. Legon, B. Mennucci, and D. J. Nesbitt
Pulsed‐Laser Excited Thermal Lens Spectroscopy With Sample‐Fluid Heat Coupling, G. C. Astrath, Luis C. Malacarne, Paulo R.B. Pedreira, Marcos P. Belancon, Mauro L. Baesso, Prakash R. Joshi, and Stephen E. Bialkowski
Phosphoryl and Sulfuryl Transfer, Tiago A.S. Brandão and Alvan C. Hengge
Insights into the Reaction of Proteintyrosine Phosphatase 1B: Crystal Structures for Transition State Analogs of Both Catalytic Steps, Tiago A.S. Brandão, Alvan C. Hengge, and Sean J. Johnson
Pulsed Laser Excited Photothermal Lens Spectrometry of Cadmium Sulfoselenide Doped Silica Glasses, Prakash R. Joshi, Oluwatosin Dada, and Stephen E. Bialkowski
Analytical Solution for Mode‐Mismatched Thermal Lens Spectroscopy with Sample‐Fluid Heat Coupling, Luis C. Malacarne, Nelson G.C. Astrath, Paulo R.B. Pedreira, Renio S. Mendes, Mauro L. Baesso, Prakash R. Joshi, and Stephen E. Bialkowski
The Divalent Metal Ion in the Active Site of Uteroferrin Modulates Substrate Binding and Catalysis, Natasa Mitic, Kieran S. Hadler, Lawrence R. Gahan, Alvan C. Hengge, and Gerhard Schenk
Cooperativity of Multiple H-Bonds in Influencing Structural and Spectroscopic Features of the Peptide Unit of Proteins, Steve Scheiner
MacMillan Encyclopedia of Chemistry, Steve Scheiner
Review of: The Nature of the Hydrogen Bond, by G. Gilli and P. Gilli, Steve Scheiner
Theoretical Analysis of the Contributions Made by CH∙∙O H-bonds to Protein Structure, Steve Scheiner
Unconventional H-bonds: SH∙∙∙N Interaction, M. Solimannejad and Steve Scheiner
2009
Phase-Transfer Catalyzed Asymmetric Arylacetate Alkylation, M. B. Andrus, K. C. Harper, M. A. Christiansen, and M. A. Binkley
Phase-Transfer Catalyzed Asymmetric Arylacetate Alkylation, M. B. Andrus, K. C. Harper, M. A. Christiansen, and M. A. Binkley
Impaired acid catalysis by mutation of a protein loop hinge residue in a YopH mutant revealed by crystal structures, T. A.S. Brandão, H. Robinson, S. J. Johnson, and Alvan C. Hengge
Synthesis of Kurasoin B Using Phase-Transfer-Catalyzed Acylimidazole Alkylation, M. A. Christiansen, A. W. Butler, A. R. Hill, and M. B. Andrus
Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center, Guoqiang Feng, Eric A. Tanifum, Harry Adams, Alvan C. Hengge, and Nicholas H. Williams
The Heat Capacities and Standard Entropies of Corresponding Potassium and Ammonium Ion Species: Is There a Constant Difference?, H. D. B. Jenkins, J. F. Liebman, M. Ponkivar, and Steve Scheiner
Pulsed‐Laser Excited Photothermal Study of Cadmium Sulfoselenium Nanoparticle Doped Glasses, Prakash R. Joshi, Oluwatosin Dada, and Stephen E. Bialkowski
Antiproliferative and Protein Kinase Binding Activities of Some N6,5'-Bis-ureido 5'-Amino-5'-deoxyadenosine Derivatives, M. A. Peterson, M. Oliveira, and M. A. Christiansen
Preliminary SAR Analysis of Novel Antiproliferative N6,5ˈ-Bis-Ureidoadenosine Derivatives, M. A. Peterson, M. Oliveira, M. A. Christiansen, and C. E. Cutler
Identification of Spectroscopic Patterns of CH···O H-Bonds in Proteins, Steve Scheiner
Ingredients Necessary for Proton Transfer in Enzymes, Steve Scheiner
Quantum Chemical Analysis of the Energetics of the anti- and gauche- Conformers of Ethanol, Steve Scheiner and P. G. Seybold
Active-Site Dynamics of SpvC Virulence Factor from Salmonella typhimurium and Density Functional Theory Study of Phosphothreonine Lyase Catalysis, Gregory K. Smith, Zhihong Ke, Alvan C. Hengge, Dingguo Xu, Daiqian Xie, and Hua Guo
Existence and Characterization of HOO-HOOOH Radical-Molecule Complexes: A Computational Study, M. Solimannejad, S. Massahi, and Steve Scheiner
Nature of Interactions in Open-Shell Complexes Pairing H2X with HXX, X=S,O, Mohammad Solimannejad and Steve Scheiner
2008
Development of Infrared Photothermal Deflection Spectroscopy (Mirage Effect) for Analysis of Condensed‐phase Aerosols Collected in a Micro‐Orifice Uniform Deposit Impactor, Oluwatosin Dada and Stephen E. Bialkowski
Finite Element Analysis Modeling of Pulse‐Laser Excited Photothermal Deflection (Mirage Effect) from Aerosols, Oluwatosin Dada and Stephen E. Bialkowski
Substrate-Promoted Formation of a Catalytically Competent Binuclear Center and Regulation of Reactivity in a Glycerophosphodiesterase from Enterobacter aerogenes, K. S. Hadler, E. A. Tanifum, S. H.C. Yip, N. Mitic, L. W. Guddat, C. J. Jackson, L. R. Gahan, K. Nguyen, P. D. Carr, D. L. Ollis, Alvan C. Hengge, J. A. Larrabee, and g. Schenk
An Altered Transition State for the Reaction of an RNA Model Catalyzed by a Dinuclear Zinc(II) Catalyst, T. Humphry, S. Iyer, O. Iranzo, J. R. Morrow, J. P. Richard, Piotr Paneth, and Alvan C. Hengge
The Effects of Sulfur Substitution for the Nucleophile and Bridging Oxygen Atoms in Reactions of Hydroxyalkyl Phosphate Esters, Subashree Iyer and Alvan C. Hengge
Noncovalent π−π Stacking and CH---π Interactions of Aromatics on the Surface of Single-Wall Carbon Nanotubes: An MP2 Study, T. Kar, H. Bettinger, Steve Scheiner, and A. K. Roy
Theoretical Investigation of the Mechanism of LiH + NH3 → LiNH2 + H2, T. Kar, Steve Scheiner, and L. Li
Bonding Rearrangements of Hydrogen Bonded Complexes involving Alkynes, E. S. Kryachko and Steve Scheiner
Structure and Properties of Perfluoroalkylated Phthalocyanines. A Theoretical Study, M.-S. Liao, J. D. Watts, S. M. Gorun, Steve Scheiner, and M.-J. Huang
Mechanistic Study of Protein Phosphatase-1 (PP1), A Catalytically Promiscuous Enzyme, C. McWhirter, E. A. Lund, E. A. Tanifum, G. Feng, Q. L. Sheikh, Alvan C. Hengge, and N. H. Williams
Analysis of Catalytic Mechanism of Serine Proteases. Viability of Ring-Flip Hypothesis, Steve Scheiner
Solvation of Hydrogen Bonded Systems: CH··O, OH··O, and Cooperativity, Steve Scheiner
Spectroscopic and Structural Signature of the CH--O H-Bond, Steve Scheiner and T. Kar
Complexes Pairing Hypohalous Acids with Nitrosyl Hydride. Blue Shift of a NH Bond that is Uninvolved in a H-bond, M. Solimannejad and Steve Scheiner
2007
Phase-Transfer-Catalyzed Asymmetric Acylimidazole Alkylation, M. B. Andrus, M. A. Christiansen, E. J. Hicken, M. J. Gainer, D. K. Bedke, K. C. Harper, S. R. Mikkelson, D. S. Dodson, and D. T. Harris
Probing the Origin of the Compromised Catalysis of E. coli Alkaline Phosphatase in its Promiscuous Sulfatase Reaction, Irina Catrina, Patrick J. O'Brien, Jamie Purcell, Ivana Nikolic-Hughes, Jesse G. Zalatan, Alvan C. Hengge, and Daniel Herschlag
Diesterase Activity and Substrate Binding in Purple Acid Phosphatases, R. S. Cox, G. Schenk, N. Mitic, L. Gahan, and Alvan C. Hengge
Continuous Laser‐Excited Photothermal Spectrometry of CdSxSe1‐x Doped Glasses, Oluwatosin Dada, Matthew R. Jorgensen, and Stephen E. Bialkowski
Minimum Energy Pathways for Proton-Transfer between Adjacent Sites Exposed to Water, R. Friedman, S. Fischer, E. Nachliel, Steve Scheiner, and M. Gutman
The Use of Isotopes in the Study of Reactions of Acyl, Phosphoryl, and Sulfuryl Esters, R. H. Hoff and Alvan C. Hengge
Periodicity in Proton Conduction along a H-bonded Chain. Application to Biomolecules, A. Isaev, T. Kar, and Steve Scheiner
The Strength with Which a Peptide Group Can Form a Hydrogen Bond Varies with the Internal Conformation of the Polypeptide Chain, Steve Scheiner
Underlying Source of the Relation between Polypeptide Conformation and Strength of NH··O Hydrogen Bonds, Steve Scheiner and T. Kar
Theoretical Evidence for a NH···XC Blue-Shifting Hydrogen Bond: Complexes Pairing Monohalomethanes with HNO, M. Solimannejad and Steve Scheiner
Analysis of Complexes Pairing Hydroperoxyl Radical with Peroxyformic Acid, M. Solimannejad, S. Gh. Shirazi, and Steve Scheiner
Mechanism of Rhodium- Catalyzed Carbene Formation from Diazo Compounds, Freeman M. Wong, Jianbo Wang, Alvan C. Hengge, and Weiming Wu
Kinetic Isotope Effects for Alkaline Phosphatase Reactions: Implications for the Role of Active- Site Metal Ions in Catalysis, J. G. Zalatan, I. Catrina, R. Mitchell, P. K. Grzyska, P. J. O'Brien, D. Herschlag, and Alvan C. Hengge
2006
Enzymatic Mechanisms of Phosphate and Sulfate Transfer, W. W. Cleland and Alvan C. Hengge
The Transition State of the Sulfuryl Transfer Reaction of Estrogen Sulfotransferase, R. H. Hoff, P. G. Czyryca, M. Sun, T. S. Leyh, and Alvan C. Hengge
Cooperativity of Conventional and Unconventional Hydrogen Bonds Involving Imidazole, Tapas Kar and Steve Scheiner
Transesterification Thio Effects of Phosphate Diesters: Free Energy Barriers and Kinetic and Equilibrium Isotope Effects from Density-Functional Theory, Y. Liu, A. Gregersen, Alvan C. Hengge, and D. M. York
Metal-Catalyzed Phosphodiester Cleavage: Secondary 18O Isotope Effects as an Indicator of Mechanism, J. Rawlings, W. W. Cleland, and Alvan C. Hengge
Contribution of CH··X Hydrogen Bonds to Biomolecular Structure, Steve Scheiner
Contributions of NH···O and CH···O Hydrogen Bonds to the Stability of β-Sheets in Proteins, Steve Scheiner
Stabilities and Properties of Complexes Pairing Hydroperoxyl Radical with Monohalomethanes, M. Solimannejad and Steve Scheiner
Thermodynamic Origin of the Increased Rate of Hydrolysis of Phosphate and Phosphorothioate Esters in DMSO/Water Mixtures, K. Sorensen-Stowell and Alvan C. Hengge
2005
Mechanistic Studies on Enzyme-Catalyzed Phosphoryl Transfer, Alvan C. Hengge
Secondary Isotope Effects, Alvan C. Hengge
Physical Organic Perspectives on Phospho Group Transfer from Phosphates and Phosphinates, Alvan C. Hengge and I. Onyido
Stepwise Hydration of Ionized Aromatics. Energies and Structures of the Hydrated Benzene Cation, and the Mechanism of Deprotonation Reactions, Yehia M. Ibrahim, Michael Meot-Ner, Edreese H. Alshraeh, M. Samy El-Shall, and Steve Scheiner
Effects of Peripheral Substituents on the Electronic Structure and Properties of Unligated and Ligated Metal Phthalocyanines, Metal = Fe, Co, Zn, M.-S. Liao, J. D. Watts, M.-J. Huang, S. M. Gorun, T. Kar, and Steve Scheiner
A Concerted Mechanism for the Transfer of the Thiophosphinoyl Group from Aryl Dimethylphosphinothioate Esters to Oxyanionic Nucleophiles in Aqueous Solution, I. Onyido, K. Swierczek, J. Purcell, and Alvan C. Hengge
The Thermodynamics of Phosphate versus Phosphorothioate Ester Hydrolysis, J. Purcell and Alvan C. Hengge
Relative Strengths of NH··O and CH··O Hydrogen Bonds between Polypeptide Chain Segments, Steve Scheiner
The CH··O Hydrogen Bond. A Historical Account, Steve Scheiner
Effect of Solvent upon CH···O Hydrogen Bonds with Implications for Protein Folding, Steve Scheiner and T. Kar
Theoretical Investigation of the Dihydrogen Bond Linking MH2 with HCCRgF (M=Zn,Cd; Rg=Ar,Kr), M. Solimannejad and Steve Scheiner
Examination of P-OR Bridging Bond Orders in Phosphate Monoesters using 18O Isotope Shifts in 31P NMR, K. Sorensen-Stowell and Alvan C. Hengge
Probing Potential Medium Effects on Phosphate Ester Bonds Using 18O Isotope Shifts on 31P NMR, K. Sorensen-Stowell and Alvan C. Hengge
2004
Infrared Spectroscopy: Photothermal, Stephen E. Bialkowski
An Investigation of the Sulfuryl Transfer Step from Substrate to Enzyme by Aryl Sulfatases, S. G. Gibby, J. M. Younker, and Alvan C. Hengge
Probing the Transition- State Structure of Dual-Specificity Protein Phosphatases Using a Physiological Substrate Mimic, P. K. Grzyska, Y. Kim, M. D. Jackson, Alvan C. Hengge, and J. M. Denu
Phosphoryl Transfer Reactions, Alvan C. Hengge
Altered mechanisms of reactions of phosphate esters bridging a dinuclear metal center, T. Humphry, M. Forconi, N. H. Williams, and Alvan C. Hengge
A nonhydrolyzable analogue of phosphotyrosine, and related aryloxymethano- and aryloxyethano- phosphonic acids as motifs for inhibition of phosphatases, S. Iyer, J. M. Younker, P. G. Czyryca, and Alvan C. Hengge
Comparison of Cooperativity in CH···O and OH···O Hydrogen Bonds, T. Kar and Steve Scheiner
CH··F Hydrogen Bonds. Dimers of Fluoromethanes, E. Kryachko and Steve Scheiner
Actinyls in Expanded Porphyrin: A Relativistic Density-Functional Study, M.-S. Liao, T. Kar, and Steve Scheiner
Effects of Peripheral Substituents and Axial Ligands on the Electronic Structure and Properties of Iron Phthalocyanine, M.-S. Liao, T. Kar, and Steve Scheiner
Mechanistic Studies of Protein Tyrosine Phosphatases YopH and Cdc25A with m-Nitrobenzyl Phosphate, D. F. McCain, P. K. Grzyska, L. Wu, Alvan C. Hengge, and Z. Y. Zhang
Substitution Patterns in Mono-BN-Fullerenes: Cn (n = 20, 24, 28, 32, 36, and 40), J. Pattanayak, T. Kar, and Steve Scheiner
Nonbonded Interactions, Steve Scheiner
Quantities, Terminology, and Symbols in Photothermal and Related Spectroscopies, Masahide Terazima, Noboru Hirota, Silvia E. Braslavsky, Andreas Mandelis, Stephen E. Bialkowski, Gerald J. Diebold, R. J.D. Miller, Daniele Fournier, Richard A. Palmer, and Andy Tam
