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2007

Sonication-Assisted Library Synthesis of Oxazolidinone−Carbohydrate Conjugates, Jianjun Zhang, Hsiao-Nung Chen, Fang-I Chiang, Jon Y. Takemoto, Mekki Bensaci, and Cheng-Wei Tom Chang; Journal of Combinatorial Chemistry

2006

Enzymatic Mechanisms of Phosphate and Sulfate Transfer, W. W. Cleland and Alvan C. Hengge; Chemical Reviews

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; Journal of Biological Chemistry

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Cooperativity of Conventional and Unconventional Hydrogen Bonds Involving Imidazole, Tapas Kar and Steve Scheiner; International Journal of Quantum Chemistry

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; Biochemistry

Extending Near-Field Scanning Optical Microscopy for Biological Studies, O. L. Mooren, E. S. Erickson, Nicholas E. Dickenson, and R. C. Dunn; Journal of the Association for Laboratory Automation

Metal-Catalyzed Phosphodiester Cleavage: Secondary 18O Isotope Effects as an Indicator of Mechanism, J. Rawlings, W. W. Cleland, and Alvan C. Hengge; Journal of the American Chemical Society

Contribution of CH··X Hydrogen Bonds to Biomolecular Structure, Steve Scheiner

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Contributions of NH···O and CH···O Hydrogen Bonds to the Stability of β-Sheets in Proteins, Steve Scheiner; Journal of Physical Chemistry B

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Hydrogen Bonding of Radicals: Interaction of Dimethyl Ether with OOH, HOOH and OOH-, M. Solimannejad and Steve Scheiner; Chemical Physics Letters

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Stabilities and Properties of Complexes Pairing Hydroperoxyl Radical with Monohalomethanes, M. Solimannejad and Steve Scheiner; Journal of Physical Chemistry A

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Weak Hydrogen Bonds in Complexes Pairing Monohalomethanes with Neutral Formic Acid, M. Solimannejad and Steve Scheiner; Chemical Physics Letters

Thermodynamic Origin of the Increased Rate of Hydrolysis of Phosphate and Phosphorothioate Esters in DMSO/Water Mixtures, K. Sorensen-Stowell and Alvan C. Hengge; Journal of Organic Chemistry

2005

Mechanistic Studies on Enzyme-Catalyzed Phosphoryl Transfer, Alvan C. Hengge; Advances in Physical Organic Chemistry

Secondary Isotope Effects, Alvan C. Hengge; Isotope Effects in Chemistry and Biology

Physical Organic Perspectives on Phospho Group Transfer from Phosphates and Phosphinates, Alvan C. Hengge and I. Onyido; Current Organic Chemistry

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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; Journal of the American Chemical Society

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; Journal of Chemical Theory and Computation

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; Journal of the American Chemical Society

The Thermodynamics of Phosphate versus Phosphorothioate Ester Hydrolysis, J. Purcell and Alvan C. Hengge; Journal of Organic Chemistry

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Relative Strengths of NH··O and CH··O Hydrogen Bonds between Polypeptide Chain Segments, Steve Scheiner; Journal of Physical Chemistry B

The CH··O Hydrogen Bond. A Historical Account, Steve Scheiner

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Effect of Solvent upon CH···O Hydrogen Bonds with Implications for Protein Folding, Steve Scheiner and T. Kar; Journal of Physical Chemistry B

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Theoretical Investigation of the Dihydrogen Bond Linking MH2 with HCCRgF (M=Zn,Cd; Rg=Ar,Kr), M. Solimannejad and Steve Scheiner; Journal of Physical Chemistry A

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Theoretical Investigation of the Weakly Dihydrogen Bonded Complexes FArCCH..HBeX (X=H, F, Cl, Br), M. Solimannejad and Steve Scheiner; The Journal of Physical Chemistry A

Examination of P-OR Bridging Bond Orders in Phosphate Monoesters using 18O Isotope Shifts in 31P NMR, K. Sorensen-Stowell and Alvan C. Hengge; Journal of Organic Chemistry

Probing Potential Medium Effects on Phosphate Ester Bonds Using 18O Isotope Shifts on 31P NMR, K. Sorensen-Stowell and Alvan C. Hengge; Journal of Organic Chemistry

2004

Infrared Spectroscopy: Photothermal, Stephen E. Bialkowski; Encyclopedia of Analytical Science

Infrared Spectroscopy: Photothermal, Stephen E. Bialkowski; Encyclopedia of Analytical Science

An Investigation of the Sulfuryl Transfer Step from Substrate to Enzyme by Aryl Sulfatases, S. G. Gibby, J. M. Younker, and Alvan C. Hengge; Journal of Physical Organic Chemistry

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; Biochemistry

Phosphoryl Transfer Reactions, Alvan C. Hengge; Encyclopedia of Life Sciences

Altered mechanisms of reactions of phosphate esters bridging a dinuclear metal center, T. Humphry, M. Forconi, N. H. Williams, and Alvan C. Hengge; Journal of the American Chemical Society

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; Bioorganic & Medicinal Chemistry Letters

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Comparison of Cooperativity in CH···O and OH···O Hydrogen Bonds, T. Kar and Steve Scheiner; Journal of Physical Chemistry A

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CH··F Hydrogen Bonds. Dimers of Fluoromethanes, E. Kryachko and Steve Scheiner; Journal of Physical Chemistry A

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Actinyls in Expanded Porphyrin:  A Relativistic Density-Functional Study, M.-S. Liao, T. Kar, and Steve Scheiner; Journal of Physical Chemistry A

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; Biochemistry

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Substitution Patterns in Mono-BN-Fullerenes:  Cn (n = 20, 24, 28, 32, 36, and 40), J. Pattanayak, T. Kar, and Steve Scheiner; Journal of Physical Chemistry A

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Nonbonded Interactions, Steve Scheiner; Computational Medicinal Chemistry and Drug Discovery

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; Pure and Applied Chemistry

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; Pure and Applied Chemistry

A Mechanistic Study of the Alkaline Hydrolysis of Diaryl Sulfate Diesters, J. M. Younker and Alvan C. Hengge; Journal of Organic Chemistry

2003

Steady‐State Absorption Rate Models for Use in Relaxation Rate Studies with Continuous Laser Excited Photothermal Lens Spectrometry, Stephen E. Bialkowski; Photochemical & Photobiological Sciences

Steady‐State Absorption Rate Models for Use in Relaxation Rate Studies with Continuous Laser Excited Photothermal Lens Spectrometry, Stephen E. Bialkowski; Photochemical & Photobiological Sciences

Comparisons of Phosphorothioate with Phosphate Transfer Reactions for a Monoester, Diester and Triester: Isotope Effect Studies, I. E. Catrina and Alvan C. Hengge; Journal of the American Chemical Society

Low Frequency Impedance Behavior of Montmorillonite Suspensions: Polarization Mechanisms in the Low Frequency Domain, Lynn M. Dudley, Stephen E. Bialkowski, Dani Or, and Chad Junkermeier; Soil Science Society of America Journal

Low Frequency Impedance Behavior of Montmorillonite Suspensions: Polarization Mechanisms in the Low Frequency Domain, Lynn M. Dudley, Stephen E. Bialkowski, Dani Or, and Chad Junkermeier; Soil Science Society of America Journal

Transition State Differences in Hydrolysis Reactions of Alkyl versus Aryl Phosphate Monoester Monoanions, P. K. Grzyska, P. G. Czyryca, J. Purcell, and Alvan C. Hengge; Journal of the American Chemical Society

Kinases, Alvan C. Hengge; Encyclopedia of Catalysis

Phosphatases, Alvan C. Hengge; Encyclopedia of Catalysis

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Rules for BN-Substitution in BCN-Fullerenes. Separation of BN and C Domains, Tapas Kar, Jayasree Pattanayak, and Steve Scheiner; Journal of Physical Chemistry A

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Comparison between hydrogen and dihydrogen bonds among H3BNH3, H2BNH2, and NH3, T. Kar and Steve Scheiner; Journal of Chemical Physics

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A DFT/TDDFT Study of Group 4A Metal Porphyrins, Meng-Sheng Liao and Steve Scheiner; Molecular Physics

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DFT Calculations and Spectral Measurements of Charge-Transfer Complexes Formed by Aromatic Amines and Nitrogen Heterocycles with Tetracyanoethylene and Chloranil, M.-S. Liao, Y. Lu, V. D. Parker, and Steve Scheiner; Journal of Physical Chemistry A

Performance Assessment of Density-Functional Methods for Study of Charge-Transfer Complexes, M.-S. Liao, Y. Lu, and Steve Scheiner; Journal of Computational Chemistry

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Comparison of BN and AlN Substitution on the Structure and Properties of C60 Fullerene, J. Pattanayak, T. Kar, and Steve Scheiner; Journal of Physical Chemistry A

A Comparison of Phosphonothioic Acids with Phosphonic Acids as Phosphatase Inhibitors, K. Swierczek, A. S. Pandey, J. Peters, and Alvan C. Hengge; Journal of Medicinal Chemistry

A convenient synthesis of phosphonothioic acids, K. Swierczek, J. Peters, and Alvan C. Hengge; Tetrahedron

2002

Using an Expectation‐Maximization Algorithm to Obtain Dielectric Relaxation Time Spectra of Aqueous Montmorillonite Clay Suspensions, Stephen E. Bialkowski, Lynn Dudley, and Dani Or; Applied Spectroscopy

Using an Expectation‐Maximization Algorithm to Obtain Dielectric Relaxation Time Spectra of Aqueous Montmorillonite Clay Suspensions, Stephen E. Bialkowski, Lynn Dudley, and Dani Or; Applied Spectroscopy

Isotope effects on enzymatic and nonenzymatic reactions of phosphorothioates, I. E. Catrina, P. G. Czyryca, and Alvan C. Hengge; Nukleonika

Photothermal Spectrometry in Small Liquid Channels, Agnes B. Chartier and Stephen E. Bialkowski; Analytical Science

Photothermal Spectrometry in Small Liquid Channels, Agnes B. Chartier and Stephen E. Bialkowski; Analytical Science

Generality of Solvation Effects on the Hydrolysis Rates of Phosphate Monoesters, and Their Possible Relevance to Enzymatic Catalysis, P. K. Grzyska, P. G. Czyryca, J. Golightly, K. Small, P. Larsen, R. H. Hoff, and Alvan C. Hengge; Journal of Organic Chemistry

Isotope Effects In the Study of Phosphoryl and Sulfuryl Transfer Reactions, Alvan C. Hengge; Accounts of Chemical Research

An Altered Mechanism of Hydrolysis for a Metal-Complexed Phosphate Diester, T. Humphry, M. Forconi, N. H. Williams, and Alvan C. Hengge; Journal of the American Chemical Society

A Comparative Study of Metal-Porphyrins, -Porphyrazines, and -Phthalocyanines, M.-S. Liao and Steve Scheiner; Journal of Computational Chemistry

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Electronic structure and bonding in metal porphyrins, metal=Fe, Co, Ni, Cu, Zn, M.-S. Liao and Steve Scheiner; Journal of Chemical Physics

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Electronic structure and bonding in unligated and ligated FeII porphyrins, M.-S. Liao and Steve Scheiner; Journal of Chemical Physics

Relativistic Effects in Iron-, Ruthenium-, and Osmium Porphyrins, M.-S. Liao and Steve Scheiner; Chemical Engineering Science

The catalytic mechanism of Cdc25A phosphatase, D. F. McCain, I. E. Catrina, Alvan C. Hengge, and Z. Y. Zhang; Journal of Biological Chemistry

Boron-Nitrogen (BN) Substitution of Fullerenes: C60 to C12B24N24 CBN Ball, J. Pattanayak, T. Kar, and Steve Scheiner

Metal ion catalyzed hydrolysis of ethyl pnitrophenyl phosphate, J. Rawlings, W. W. Cleland, and Alvan C. Hengge; Journal of Inorganic Biochemistry

Acetylene as Potential Hydrogen-Bond Proton Acceptor, Steve Scheiner and S. J. Grabowski; Journal of Molecular Structure

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Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions?, Steve Scheiner and T. Kar; Journal of Physical Chemistry A

Substituent Effects upon Protonation-Induced Red Shift of Phenyl-Pyridine Copolymers, Steve Scheiner and T. Kar

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Substituent Effects upon Protonation-Induced Red Shift of Phenyl−Pyridine Copolymers, Steve Scheiner and T. Kar; Journal of Physical Chemistry B

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Comparison of Various Types of Hydrogen Bonds Involving Aromatic Amino Acids, Steve Scheiner, Tapas Kar, and Jayasree Pattanayak; Journal of the American Chemical Society

Electronic Structure and Bonding in Metal Porphyrins and Phthalocyanines, Steve Scheiner and M.-S. Liao

2001

Modeling Maxwell‐Wagner and diffuse double layer polarization in low frequency impedance spectra of clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Modeling Maxwell‐Wagner and diffuse double layer polarization in low frequency impedance spectra of clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Using expectation maximization to obtain dielectric relaxation time spectra of aqueous montmorillonite clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Using expectation maximization to obtain dielectric relaxation time spectra of aqueous montmorillonite clay suspensions, Stephen E. Bialkowski, Lynn M. Dudley, and Dani Or; Fourth Workshop on Electromagnetic Wave Interactions with Moist Substances

Optical Bleaching in Continuous Laser Excited Photothermal Lens Spectrometry, Agnes Chartier and Stephen E. Bialkowski; Applied Spectroscopy

Optical Bleaching in Continuous Laser Excited Photothermal Lens Spectrometry, Agnes Chartier and Stephen E. Bialkowski; Applied Spectroscopy

The mechanism of the phosphoryl transfer catalyzed by Yersinia protein-tyrosine phosphatase: a computational and isotope effect study, P. G. Czyryca and Alvan C. Hengge; Biochimica et Biophysica Acta

Isotope effects in the study of enzymatic phosphoryl transfer reactions, Alvan C. Hengge; FEBS Letters

Role of Protein Conformational Mobility in Enzyme Catalysis - Acylation of α-Chymotrypsin by Specific Peptide Substrates, Alvan C. Hengge and Ross L. Stein; Biochemistry

Isotope Effects and Medium Effects on Sulfuryl Transfer Reactions, R. H. Hoff, P. Larsen, and Alvan C. Hengge; Journal of the American Chemical Society

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Proton Conduction by a Chain of Water Molecules in Carbonic Anhydrase, A. Isaev and Steve Scheiner; The Journal of Physical Chemistry B

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Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study, T. Kar, J. Pattanayak, and Steve Scheiner; Journal of Physical Chemistry A

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Electronic structure and bonding in metal phthalocyanines, Metal=Fe, Co, Ni, Cu, Zn, Mg, M.-S. Liao and Steve Scheiner; Journal of Chemical Physics

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Boron−Nitrogen (BN) Substitution Patterns in C/BN Hybrid Fullerenes: C60-2x(BN)x (x = 1−7), J. Pattanayak, T. Kar, and Steve Scheiner; Journal of Physical Chemistry A

Transition state analysis and requirement of Asp-262 general acid/base catalyst for full activation of dual-specificity phosphatase MKP3 by extracellular regulated kinase, J. D. Rigas, R. H. Hoff, A. E. Rice, Alvan C. Hengge, and J. M. Denu; Biochemistry

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Influence of Hybridization and Substitution upon the Properties of the CH··O Hydrogen Bond, Steve Scheiner, S. J. Grabowski, and T. Kar; Journal of Physical Chemistry A

Strength of the C-H···O Hydrogen Bond of Amino Acid Residues, Steve Scheiner, T. Kar, and Y. Gu; Journal of Biological Chemistry

Comparison of Detection Limits and Relative Responses for Alternative Fluorocarbons by GC‐ECD, GCAED, and GC‐MS, Sonia R. Sousa and Stephen E. Bialkowski; Analytica Chimica Acta

Comparison of Detection Limits and Relative Responses for Alternative Fluorocarbons by GC‐ECD, GCAED, and GC‐MS, Sonia R. Sousa and Stephen E. Bialkowski; Analytica Chimica Acta