e-Publications@Marquette

Identification of the Autoregulatory Properties and Molecular Interactions of the Lysine-Specific Histone Demethylase 1 Enzyme, Dulmi Senanayaka
Dissertations (1934 -)

Scope and Mechanistic Studies of Ruthenium Catalyzed C-C and C-N Bond Activation Reactions, Dulanjali Thennakoon
Dissertations (1934 -)

Photophysical and Photocatalytic Properties of Covalent Organic Frameworks, Daniel Streater H.
Dissertations (1934 -)

Elucidating the Structure and Regulatory Interactions of the HOTAIR Non-Coding RNA and the Bacterial RNase P. Holoenzyme, Ainur Abzhanova
Dissertations (1934 -)

Exploring New Techniques For Precision Deuteration of Alkenes and Alkynes, Zoua Pa Vang
Dissertations (1934 -)

What Moves the Needle on DFW Rates and Student Success in General Chemistry? A Quarter-Century Perspective, Vijay Vyas, Scott A. Reid
Chemistry Faculty Research and Publications

Design, Evolution, and Evaluation of a General Chemistry-Bridging Course, Scott A. Reid
Chemistry Faculty Research and Publications

Excitonic Coupling in Fluorene-Based Bichromophoric Systems: Vibrational Quenching and the Transition from Weak to Intermediate Coupling, Damian L. Kokkin, Neil Reilly, Maxim V. Ivanov, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

Kinetics of Isotope-Labeled Pathways in the Ozone Forming Recombination Reaction, Elizaveta Grushnikova
Dissertations (1934 -)

Application of Nanodisc Technology to a Membrane-Bound P450: Functional Studies and Resonance Raman Studies on CYP51A1, Yuanqi Jing
Dissertations (1934 -)

Reversible Dioxygen Binding to Co(II) Complexes with Noninnocent Ligands, Praveen Kumar, Laxmi Devkota, Maximilian C. Casey, Anne A. Fischer, Sergey V. Lindeman, Adam T. Fiedler
Chemistry Faculty Research and Publications

Collisional Energy Transfer: General Discussion, Dmitri Babikov, Michael P. Burke, Andrew J. Orr-Ewing, Piergiorgio Casavecchia, William H. Green, Alon Grinberg Dana, Hua Guo, Dwayne E. Heard, David Heathcote, Majdi Hochlaf, Ahren W. Jasper, Stephen J. Klippenstein, Marsha I. Lester, Carles Martí, Alexander M. Mebel, Amy S. Mullin, Thanh Lam Nguyen, Matthias Olzmann, Andrew J. Orr-Ewing, David L. Osborn, Patrick A. Robertson, Matthew S. Robinson, Robin J. Shannon, Oisin J. Shiels, Arthur G. Suits, Craig A. Taatjes, Jürgen Troe, Xuefei Xu, Xiaoqing You, Feng Zhang, Rui Ming Zhang, Judit Zádor
Chemistry Faculty Research and Publications

Enantioselective Synthesis of Enantioisotopomers with Quantitative Chiral Analysis by Chiral Tag Rotational Spectroscopy, Mitchell D. Mills, Reilly E. Sonstrom, Zoua Pa Vang, Justin L. Neill, Haley N. Scolati, Channing T. West, Brooks H. Pate, Joseph R. Clark
Chemistry Faculty Research and Publications

Effect of Ligands and Their Removal on the Au Nanoparticle-Catalyzed Reduction of 4-Nitrophenol, Nicholas Langer, Ofer Kedem
Chemistry Faculty Research and Publications

Properties and Behavior of Tricarbonyl Manganese Scorpionate Complexes, Billy Shone
Master's Theses (2009 -)

Synthesis and Characterization of Biomimetic Co and Fe Complexes with Trispyrazolylborate Ligands, Praveen Kumar
Dissertations (1934 -)

UV- and Visible-Light Photopatterning of Molecular Gradients Using the Thiol–yne Click Reaction, Mark Mitmoen, Ofer Kedem
Chemistry Faculty Research and Publications

Aesthetics in Action: Arts in a Democratic Society: Les Aspin Center for Government, Curtis L. Carter
Curtis Carter

Structural Evidence of a Major Conformational Change Triggered by Substrate Binding in DapE Enzymes: Impact on the Catalytic Mechanism, Boguslaw P. Nocek, Cory Reidl, Anna Starus, Tahirah Heath, David L. Bienvenue, Jerzy Osipiuk, Robert Jedrzejczak, Andzrej Joachimiak, Daniel P. Becker, Richard C. Holz
Richard C. Holz

The Cu_A Center of a Soluble Domain from Thermus cytochrome ba₃. An NMR Investigation of the Paramagnetic Protein. A Proton NMR Study of the Paramagnetic Active Site of the Cu_A Variant of Amicyanin, Richard C. Holz
Richard C. Holz

Practical Spectrophotometric Assay for the dapE-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase, a Potential Antibiotic Target, Tahirah K. Heath, Marlon R. Lutz Jr., Cory Reidl, Estefany R. Guzman, Claire A. Herbert, Boguslaw P. Nocek, Richard C. Holz, Kenneth W. Olsen, Miguel A. Ballicora, Daniel P. Becker
Richard C. Holz

Synthesis and Characterization of Enantioenriched Deuterated and Fluorinated Small Molecules, Mitchell D. Mills
Master's Theses (2009 -)

Intrinsic Photodynamic Study on Photocatalytic Materials, Wenhui Hu
Dissertations (1934 -)

Highly Regioselective Copper-Catalyzed Transfer Hydrodeuteration of Unactivated Terminal Alkenes, Albert Reyes, Emanuel Rivera Torres, Zoua Pa Vang, Joseph R. Clark
Chemistry Faculty Research and Publications

Mixed Quantum/Classical Theory for Collisional Quenching of PAHs in the Interstellar Media, Bikramaditya Mandal, Carolin Joy, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

Molecular Dynamics on Quantum Annealers, Igor Gaidai, Dmitri Babikov, Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski, Yu Zhang, Sergei Tretiak, Pavel A. Dub
Chemistry Faculty Research and Publications

2D Covalent Organic Frameworks with an Incorporated Manganese Complex for Light Driven Carbon Dioxide Reduction, Denan Wang, Daniel Streater, Yun Peng, Jier Huang
Chemistry Faculty Research and Publications

Triple Oxygen Isotope Constraints on Atmospheric O₂ and Biological Productivity During the mid-Proterozoic, Peng Liu, Jingjin Liu, Aoshaung Ji, Christopher T. Reinhard, Noah J. Planavsky, Dmitri Babikov, Raymond G. Najjar, James F. Kasting
Chemistry Faculty Research and Publications

Symmetry-Guided Synthesis of N,N′-Bicarbazole and Porphyrin-Based Mixed-Ligand Metal–Organic Frameworks: Light Harvesting and Energy Transfer, Christian Fiankor, James Nayakuchena, Rebecca Shu Hui Khoo, Xu Zhang, Yuchen Hu, Sizhuo Yang, Jier Huang, Jian Zhang
Chemistry Faculty Research and Publications

SpectrumSDT: A Program for Parallel Calculation of Coupled Rotational-Vibrational Energies and Lifetimes of Bound States and Scattering Resonances in Triatomic Systems, Igor Gayday, Alexander Teplukhin, Jonathan Moussa, Dmitri Babikov
Chemistry Faculty Research and Publications

Synthesis and Pharmacological Studies of Ph-Sensitive, Allosteric, and Bivalent Ligands As Modulators of GPCRs, Ricardo Rosas Jr.
Dissertations (1934 -)

Electronic Structures and Spectroscopic Signatures of Diiron Intermediates Generated by O₂ Activation of Nonheme Iron(II)–Thiolate Complexes, Danushka M. Ekanayake, Dao Pham, Andrew L. Probst, Joshua R. Miller, Cordina V. Popescu, Adam T. Fiedler
Chemistry Faculty Research and Publications

Dissecting Monomer-Dimer Equilibrium of an RNase P Protein Provides Insight Into the Synergistic Flexibility of 5’ Leader Pre-tRNA Recognition, Danyun Zeng, Ainur Abzhanova, Benjamin P. Brown, Nicholas J. Reiter
Chemistry Faculty Research and Publications

Covalent Immobilization of Molecular Complexes on Metal-Organic Frameworks Towards Robust and Highly Efficient Heterogeneous Water Oxidation Catalysts, Xiangming Liang, Sizhou Yang, Junyi Yang, Wanjun Sun, Xiangyang Li, Baochun Ma, Jier Huang, Jiangwei Zhang, Lele Duan, Yong Ding
Chemistry Faculty Research and Publications

Copper-Catalyzed Transfer Hydrogenation, Deuteration, and Selective Transfer Hydrodeuteration of Aryl Alkynes, Kiera Behlow
Master's Theses (2009 -)

In Situ Activated Co_3–xNi_xO₄ as a Highly Active and Ultrastable Electrocatalyst for Hydrogen Generation, Kailu Guo, Yantao Wang, Junfeng Huang, Min Lu, Hua Li, Yong Peng, Pinxian Xi, Haoli Zhang, Jier Huang, Siyu Lu, Cailing Xu
Chemistry Faculty Research and Publications

Resonant Two-Photon Ionization and Velocity Mapped Ion Imaging Studies of Aromatic Van Der Waals Complexes, James T. Makuvaza
Dissertations (1934 -)

Efficient Method for an Approximate Treatment of the Coriolis Effect in Calculations of Quantum Dynamics and Spectroscopy, with Application to Scattering Resonances in Ozone, Igor Gayday, Dmitri Babikov
Chemistry Faculty Research and Publications

Catalytic Transfer Deuteration and Hydrodeuteration: Emerging Techniques to Selectively Transform Alkenes and Alkynes to Deuterated Alkanes, Zoua Pa Vang, Samuel J. Hintzsche, Joseph R. Clark
Chemistry Faculty Research and Publications

Biochemical Analysis of Dual T-Loop RNA Motifs that Perform Shape Recognition of the tRNA Elbow, John Aparicio Aguirre
Master's Theses (2009 -)

Synthesis of Composites from Cellulose, Chitosan, and Ciprofloxacin HCI Encapsulated in Sporopollenin Capsules, Mark Mitmoen
Master's Theses (2009 -)

Hydrogen-Bonded Clusters: A Study of the Elusive Anisole-Ammonia and Anisole-Water 1:1 Complexes, John Lawrence Loman
Master's Theses (2009 -)

Scope and Mechanistic Studies of Ruthenium Catalyzed C-N Bond Activation Reactions, Pandula Taepith Kirinde Arachchige
Dissertations (1934 -)

Synthetic and Mechanistic Studies of Ruthenium Catalyzed C-C, C-H and C-N Bond Activation Reactions, Nuwan Asanka Pannilawithana
Dissertations (1934 -)

Design and Synthesis of Selective Estrogen Receptor Agonists, Edward Edward Wetzel
Dissertations (1934 -)

Toward Understanding the Origin of Mass-Independent Fractionation in Sulfur Allotropes and in Ozone, Igor Gayday
Dissertations (1934 -)

Development of MQCT Method for Calculations of Collisional Energy Transfer for Astrochemistry and Planetary Atmospheres, Bikramaditya Mandal
Dissertations (1934 -)

Four Isotope-Labeled Recombination Pathways of Ozone Formation, Dmitri Babikov, Elizaveta Grushnikova, Igor Gayday, Alexander Teplukhin
Chemistry Faculty Research and Publications

Electron Shuttle in the MOF Derived TiO₂/CuO Heterojunction Boosts Light Driven Hydrogen Evolution, Yunbo Zhang, Wenhui Hu, Denan Wang, Benjamin J. Reinhart, Jier Huang
Chemistry Faculty Research and Publications

Unraveling a Trifecta of Weak non-Covalent Interactions: The Dissociation Energy of the Anisole-Ammonia 1:1 Complex, John L. Loman, James T. Makuvaza, Damian L. Kokkin, Scott A. Reid
Chemistry Faculty Research and Publications

Chronic Oral Administration of a Novel Estrogen Receptor Beta Agonist Enhances Memory Consolidation and Alleviates Vasomotor Symptoms in a Mouse Model of Menopause, Aaron W. Fleischer, Jayson C. Schalk, Edward Edward Wetzel, Alicia M. Hanson, Daniel S. Sem, William A. Donaldson, Karyn M. Frick
Chemistry Faculty Research and Publications

P450 CYP17A1 Variant with a Disordered Proton Shuttle Assembly Retains Peroxo-Mediated Lyase Efficiency, Yilin Liu, Ilia G. Denisov, Yelena V. Grinkova, Stephen G. Silgar, James R. Kincaid
Chemistry Faculty Research and Publications

Iron(iii)-Bipyridine Incorporated Metal–Organic Frameworks for Photocatalytic Reduction of CO₂ with Improved Performance, Yuan-Ping Wei, sizhuo yang, Peng Wang, Jin-Han Guo, Jier Huang, Wei-Yin Sun
Chemistry Faculty Research and Publications

The Electronic Properties of Ni(PNN) Pincer Complexes Modulate Activity in Catalytic Hydrodehalogenation Reactions, Denan Wang, James R. Gardinier
Chemistry Faculty Research and Publications

Direct Evidence of Photoinduced Charge Transport Mechanism in 2D Conductive Metal Organic Frameworks, James Nyakuchena, Sarah Ostresh, Daniel Streater, Brian Pattengale, Jens Neu, Christian Fiankor, Wenhui Hu, Eli Diego Kinigstein, Jian Zhang, Xiaoyi Zhang, Charles A. Schmuttenmaer, Jier Huang
Chemistry Faculty Research and Publications

Ion Pairing versus Solvation of Dinitrobenzene Anions in Room-Temperature Ionic Liquids (RTILs): Vibrational Signatures of RTIL–Substrate Interactions, Abderrahman Atifi, Piotr J. Mak, Michael D. Ryan
Chemistry Faculty Research and Publications

Copper-Catalyzed Formal Transfer Hydrogenation/Deuteration of Aryl Alkynes, Samantha E. Sloane, Albert Reyes, Zoua Pa Vang, Lingzi Li, Kiera T. Behlow, Joseph R. Clark
Chemistry Faculty Research and Publications

Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands, Praveen Kumar, Daniel J. Santa Lucia, Kinga Kaniewska-Laskowska, Sergey Lindeman, Andrew Ozarowski, J. Krzystek, Mykhaylo Ozerov, Joshua Telser, John F. Berry, Adam T. Fiedler
Chemistry Faculty Research and Publications

Distance Dependent Energy Transfer Dynamics from a Molecular Donor to a Zeolitic Imidazolate Framework Acceptor, Wenhui Hu, Fan Yang, Nick Pietraszak, Jing Gu, Jier Huang
Chemistry Faculty Research and Publications

Unravelling a Long-Lived Ligand-to-Metal Cluster Charge Transfer State in Ce–TCPP Metal Organic Frameworks, Sizhou Yang, Wenhui Hu, James Nayakuchena, Christian Fiankor, Cunming Liu, Eli Diego Kinigstein, Jian Zhang, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications

Solving Complex Eigenvalue Problems on A Quantum Annealer with Applications to Quantum Scattering Resonances, Alexander Teplukhin, Brian K. Kendrick, Dmitri Babikov
Chemistry Faculty Research and Publications

Synthesis and Initial Pharmacology of Dual-targeting Ligands for Putative Complexes of integrin αVβ3 and PAR2, Mark W. Majewski, Disha M. Gandhi, Trudy Holyst, Zhengli Wang, Irene Hernandez, Ricardo Rosas Jr., Jieqing Zhu, Hartmut Weiler, Chris Dockendorff
Chemistry Faculty Research and Publications

Solving the Conundrum: Widespread Proteins Annotated for Urea Metabolism in Bacteria Are Carboxyguanidine Deiminases Mediating Nitrogen Assimilation from Guanidine, Nicholas O. Schneider, Lambros J. Tassoulas, Danyun Zeng, Amanda J. Laseke, Nicholas J. Reiter, Lawrence P. Wackett, Martin St. Maurice
Chemistry Faculty Research and Publications

Synthesis and Evaluation of Small Molecule Inhibitors of Pyruvate Carboxylase, Daniel John Burkett
Master's Theses (2009 -)

Resonance Raman Spectroscopic Studies of Peroxo and Hydroperoxo Intermediates in Lauric Acid (LA)-Bound Cytochrome P450 119, Remigio Usai, Daniel Kaluka, Piotr J. Mak, Yilin Liu, James R. Kincaid
Chemistry Faculty Research and Publications

Probing Cooperativity In C–H⋯N and C–H⋯π Interactions: Dissociation Energies Of Aniline⋯(CH₄)_n (n = 1, 2) van der Waals Complexes From Resonant Ionization And Velocity Mapped Ion Imaging Measurements, James Makuvaza, John L. Loman, Damian L. Kokkin, Scott Reid
Chemistry Faculty Research and Publications

1. DFT-Guided Discovery of Hybrid Catalysts for C-C Bond Formation; 2. Synthesis of a Reported PDI Inhibitor, Eric Greve
Dissertations (1934 -)

Computationally-Guided Investigation of Dual Amine/pi Lewis Acid Catalysts for Direct Additions of Aldehydes and Ketones to Unactivated Alkenes and Alkynes, Eric Greve, Jacob D. Porter, Chris Dockendorff
Chemistry Faculty Research and Publications

Electron Ratchets: State of the Field and Future Challenges, Bryan Lau, Ofer Kedem
Chemistry Faculty Research and Publications

Silver(I) and Copper(I) Complexes of Semi‐Bulky Nitrogen‐Confused C‐Scorpionates, Denan Wang, Fathiya Jahan, Kristin J. Meise, Sergey Lindeman, James R. Gardinier
Chemistry Faculty Research and Publications

Photophysical Properties and Excited State Dynamics of Porous Organic Materials, Korlan Duisenova
Master's Theses (2009 -)

Theoretical and Experimental Investigation of Non-Covalent Interactions in S-Nitrosothiols and Thio-Carboxylic Acids, Niloufar Hendinejad
Dissertations (1934 -)

Hybrid Metal/Covalent Organic Frameworks for Solar Fuel Conversion, sizhuo yang
Dissertations (1934 -)

Catalytic Carbon–Carbon Bond Activation of Saturated and Unsaturated Carbonyl Compounds via Chelate-Assisted Coupling Reaction with Indoles, Nuwan Asanka Pannilawithana, Chae S. Yi
Chemistry Faculty Research and Publications

Infrared Spectroelectrochemistry of Iron-Nitrosyl Triarylcorroles. Implications for Ligand Noninnocence, Md. Hafizur Rahman, Michael D. Ryan, Hugo Vazquez-Lima, Abraham Alemayehu, Abhik Ghosh
Chemistry Faculty Research and Publications

Tuning Internal Strain in Metal–Organic Frameworks via Vapor Phase Infiltration for CO₂ Reduction, Fan Yang, Wenhui Hu, Chongqing Yang, Margaret Patrick, Andrew L. Cooksy, Jian Zhang, Jeffery A. Aguiar, Chengcheng Fang, Yinghua Zhou, Ying Shirley Meng, Jier Huang, Jing Gu
Chemistry Faculty Research and Publications

Restructuring a General College Chemistry Sequence Using the ACS Anchoring Concepts Content Map, Scott Reid
Chemistry Faculty Research and Publications

Modified Synthesis of the Peptidomimetic Natriuretic Peptide Receptor-C Antagonist M372049, Jacob Porter, Sergey V. Lindeman, Chris Dockendorff
Chemistry Faculty Research and Publications

Unraveling the Intermediate Species of Co₃O₄ Hollow Spheres for CO₂ Photoreduction by In Situ X-ray Absorption Spectroscopy, Peilei He, Sizhou Yang, Wenhui Hu, Sungsik Lee, Jier Huang
Chemistry Faculty Research and Publications

Voltammetry and Spectroelectrochemistry of TCNQ in Acetonitrile/RTIL Mixtures, Abderrahman Atifi, Michael D. Ryan
Chemistry Faculty Research and Publications

Adiabatic Trajectory Approximation within the Framework of Mixed Quantum/Classical Theory, Bikramaditya Mandal, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

Route Exploration and Synthesis of The Reported Pyridone-Based PDI Inhibitor STK076545, Eric Greve, Sergey Lindeman, Christina Scartelli, Lin Lin, Robert Flaumenhaft, Chris Dockendorff
Chemistry Faculty Research and Publications

Influence of the Coriolis Effect on the Properties of Scattering Resonances in Symmetric and Asymmetric Isotopomers of Ozone, Igor Gayday, Elizaveta Grushnikova, Dmitri Babikov
Chemistry Faculty Research and Publications

Dynamic Evolution and Reversibility of Single-Atom Ni(II) Active Site in 1T-MoS₂ Electrocatalysts for Hydrogen Evolution, Brian Pattengale, Yichao Huang, Xingxu Yan, Sizhou Yang, Sabrina Younan, Wenhui Hu, Zhida Li, Sungsik Lee, Xiaoping Pan, Jing Gu, Jier Huang
Chemistry Faculty Research and Publications

Enhanced Light Harvesting Ability in Zeolitic Imidazolate Frameworks Through Energy Transfer from CdS Nanowires, Yixuan Zhou, Wenhui Hu, Sizhuo Yang, Jier Huang
Chemistry Faculty Research and Publications

Nonheme Iron–Thiolate Complexes as Structural Models of Sulfoxide Synthase Active Sites, Danushka M. Ekanayake, Anne A. Fischer, Maya E. Elwood, Alexandra M. Guzek, Sergey Lindeman, Cordina V. Popescu, Adam T. Fiedler
Chemistry Faculty Research and Publications

Spectroscopic and Computational Comparisons of Thiolate-Ligated Ferric Nonheme Complexes to Cysteine Dioxygenase: Second-Sphere Effects on Substrate (Analogue) Positioning, Anne A. Fischer, Joshua R. Miller, Richard J. Jodts, Danushka M. Ekanayake, Sergey V. Lindeman, Thomas C. Brunold, Adam T. Fiedler
Chemistry Faculty Research and Publications

Composition Effect on the Carrier Dynamics and Catalytic Performance of CuInS₂/ZnS Quantum Dots for Light Driven Hydrogen Generation, Wenhui Hu, Sizhuo Yang, Jier Huang
Chemistry Faculty Research and Publications

Hybrid Catalysis for the Direct Addition of Unactivated Aldehydes and Ketones to Alkenes and Alkynes, Jacob Porter
Dissertations (1934 -)

The Parmodulin NRD-21 is an Allosteric Inhibitor of PAR1 Gq Signaling with Improved Anti-Inflammatory Activity and Stability, Disha M. Gandhi, Ricardo Rosas Jr., Eric Greve, Kaitlin Kentala, N'Guessan D.-R, Diby, Vladyslava A. Snyder, Allison Stephans, Teresa H.W. Yeung, Saravanan Subramaniam, Elliot DiMilo, Khia E. Kurtenbach, Leggy A. Arnold, Hartmut Weiler, Chris Dockendorff
Chemistry Faculty Research and Publications

Evaluation of α-hydroxycinnamic Acids as Pyruvate Carboxylase Inhibitors, Daniel J. Burkett, Brittney N. Wyatt, Mallory Mews, Anson Bautista, Ryan Engel, Chris Dockendorff, William A. Donaldson, Martin St. Maurice
Chemistry Faculty Research and Publications

Empirical Mappings of the Frequency Response of an Electron Ratchet to the Characteristics of the Polymer Transport Layer, Mohamad S. Kodaimati, Ofer Kedem, George C. Schatz, Emily A. Weiss
Chemistry Faculty Research and Publications

Proton Transfer versus Hydrogen Bonding in a Reduced Iron Porphyrin Nitrosyl Complex, Md. Hafizur Rahman, Yilin Liu, Michael D. Ryan
Chemistry Faculty Research and Publications

β-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists, Ricardo Rosas Jr., Xi-Ping Huang, Bryan L. Roth, Chris Dockendorff
Chemistry Faculty Research and Publications

Synthesis and Reactivity of Silver Complexes of Nitrogen Confused Scorpionate Ligands, Fathiya Jahan
Master's Theses (2009 -)

Characterization of Metal Binding Sites Within the Protein Only RNase P, Ganga Nilmini Kumari Wijesinghe Mudiyanselage
Master's Theses (2009 -)

Investigation of the Active Site Maturation and Catalytic Mechanism of Nitrile Hydratases (NHase, E.C.4.2.1.84), Irene Anyango Ogutu
Dissertations (1934 -)

Structure and Mechanisms of Metalloenzymes for Incorporation of Water Across CN and C-Cl Bonds, Xinhang Yang
Dissertations (1934 -)

The Alpha-Activator Complex, Cellular Maturation, and Catalytic Mechanism of Iron-Type Nitrile Hydratase, Wasantha Lankathilaka Karunagala Pathiranage
Dissertations (1934 -)

Selective Excited-State Dynamics in a Unique Set of Rationally Designed Ni Porphyrins, Brian Pattengale, Qiuhua Liu, Wenhui Hu, Sizhuo Yang, Peilei He, Sir Lawrence Tender, Yingqi Wang, Xiaoyi Zhang, Zaichun Zhou, Jian Zhang, Jier Huang
Chemistry Faculty Research and Publications

Calculation of Molecular Vibrational Spectra on a Quantum Annealer, Alexander Teplukhin, Brian K. Kendrick, Dmitri Babikov
Chemistry Faculty Research and Publications

Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pK_a Values of Thiols, Saber Mirzaei, Maxim Vadimovich Ivanov, Qadir K. Timerghazin
Chemistry Faculty Research and Publications

Asynchronous Photoexcited Electronic and Structural Relaxation in Lead-Free Perovskites, Cunming Liu, Yingqi Wang, Huifang Geng, Taishan Zhu, Elif Ertekin, David Gosztola, Sizhuo Yang, Jier Huang, Bin Yang, Keli Han, Sophie E. Canton, Qingyu Kong, Kaibo Zheng, Xiaoyi Zhang
Chemistry Faculty Research and Publications

Selective Isomer Formation and Crystallization-Directed Magnetic Behavior in Nitrogen-Confused C-Scorpionate Complexes of Fe(O₃SCF₃)₂, James R. Gardinier, Kristin J. Meise, Fathiya Jahan, Denan Wang, Sergey V. Lindeman
Chemistry Faculty Research and Publications

Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O₂, Praveen Kumar, Sergey V. Lindeman, Adam T. Fiedler
Chemistry Faculty Research and Publications

Synthesis and Structural Analysis of Macrocyclic Arenes: Experimental and Computational Insights, Saber Mirzaei
Master's Theses (2009 -)

Design and Synthesis of Simplified Analogs of the Natural Product Sordarin As Potential Antifungal Agents, Yibiao Wu
Dissertations (1934 -)

Computational Study of Cold Ions Trapped in a Double-well Potential, Dmytro Shyshlov, Dmitri Babikov
Chemistry Faculty Research and Publications

Charge-Transfer or Excimeric State? Exploring the Nature of The Excited State in Cofacially Arrayed Polyfluorene Derivatives, Ainur Abzhanova, Lena V. Ivanova, Denan Wang, Tushar S. Navale, Sameh H. Abdelwahed, Maxim Vadimovich Ivanov, Sergey V. Lindeman, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

C–H/π and C–H–O Interactions in Concert: A Study of the Anisole–Methane Complex using Resonant Ionization and Velocity Mapped Ion Imaging, James Makuvaza, Damian Kokkin, John Loman, Scott A. Reid
Chemistry Faculty Research and Publications

The Ratio of The Number of States in Asymmetric and Symmetric Ozone Molecules Deviates from The Statistical Value Of 2, Igor Gayday, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications

Cooperative Transport in a Multi-Particle, Multi-Dimensional Flashing Ratchet, Ofer Kedem, Emily A. Weiss
Chemistry Faculty Research and Publications

Synthesis of Simplified Azasordarin Analogs as Potential Antifungal Agents, Yibiao Wu, Chris Dockendorff
Chemistry Faculty Research and Publications

Proton-Coupled Reduction of An Iron Nitrosyl Porphyrin in The Protic Ionic Liquid Nanodomain, Abderrahman Atifi, Piotr J. Mak, Michael D. Ryan
Chemistry Faculty Research and Publications

Investigation of Solvation and Solvent Coordination Effects in Iron Porphyrin Nitrosyls by Infrared Spectroelectrochemistry and DFT Calculations, Md. Hafizur Rahman, Michael D. Ryan
Chemistry Faculty Research and Publications

Computational Analysis of Vibrational Modes in Tetra-Sulfur Using Dimensionally Reduced Potential Energy Surface, Igor Gayday, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications

Design and Evaluation of Heterobivalent PAR1–PAR2 Ligands as Antagonists of Calcium Mobilization, Mark W. Majewski, Disha M. Gandhi, Ricardo Rosas Jr., Revathi Kodall, Leggy A. Arnold, Chris Dockendorff
Chemistry Faculty Research and Publications

Unveiling Charge-Separation Dynamics in CdS/Metal–Organic Framework Composites for Enhanced Photocatalysis, Hai-Qun Xu, Sizhuo Yang, Xing Ma, Jier Huang, Hai-Long Wang
Chemistry Faculty Research and Publications

Reactive Pathways in the Bromobenzene-Ammonia Dimer Cation Radical: Evidence for A Roaming Halogen Radical, Silver Nyambo, Brandon Uhler, Lloyd Godfrey Muzangwa, Maxim Vadimovich Ivanov, Bradley K. Welch, Richard Dawes, Scott A. Reid
Chemistry Faculty Research and Publications

Erratum: “Several Levels of Theory for Description of Isotope Effects in Ozone: Effect of Resonance Lifetimes and Channel Couplings”, Alexander Teplukhin, Igor Gayday, Dmitri Babikov
Chemistry Faculty Research and Publications

π-π stacking vs. C–H/π interaction: Excimer formation and charge resonance stabilization in van der Waals clusters of 9,9′-dimethylfluorene, Damian Kokkin, Maxim Vadimovich Ivanov, John Loman, Sheng Cai, Brandon Uhler, Neil Reilly, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

Donor–Acceptor Fluorophores for Energy-Transfer-Mediated Photocatalysis, Jingzhi Lu, Brian Pattengale, Qiuhua Liu, Sizhuo Yang, Wenxiong Shi, Shuzhou Li, Jier Huang, Jian Zhang
Chemistry Faculty Research and Publications

DFT-Assisted Design and Evaluation of Bifunctional Amine/Pyridine-Oxazoline Metal Catalysts for Additions of Ketones to Unactivated Alkenes and Alkynes, Eric Greve, Jacob D. Porter, Chris Dockendorff
Chemistry Faculty Research and Publications

Multielectron Redox Chemistry of Transition Metal Complexes Supported by a Non‐Innocent N3P2 Ligand: Synthesis, Characterization, and Catalytic Properties, Denan Wang, Danushka M. Ekanayake, Sergey V. Lindeman, Cláudio N. Verani, Adam T. Fiedler
Chemistry Faculty Research and Publications

2D Covalent Organic Frameworks as Intrinsic Photocatalysts for Visible Light-Driven CO₂ Reduction, Sizhuo Yang, Wenhui Hu, Xin Zhang, Peilei He, Brian Pattengale, Cunming Liu, Melissa Cendejas, Ive Hermans, Xiaoyi Zhang, Jian Zhang, Jier Huang
Chemistry Faculty Research and Publications

Several Levels of Theory for Description of Isotope Effects in Ozone: Effect of Resonance Lifetimes and Channel Couplings, Alexander Teplukhin, Dmitri Babikov, Igor Gayday
Chemistry Faculty Research and Publications

Vertical vs. Adiabatic Ionization Energies in Solution and Gas-Phase: Probing Ionization-Induced Reorganization in Conformationally-Mobile Bichromophoric Actuators Using Photoelectron Spectroscopy, Electrochemistry and Theory, Maxim Vadimovich Ivanov, Denan Wang, Depeng Zhang, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

Direct Observation of Node-to-Node Communication in Zeolitic Imidazolate Frameworks, Brian Pattengale, Daniel J. SantaLucia, Sizhuo Yang, Wenhui Hu, Cunming Liu, Xiaoyi Zhang, John F. Berry, Jier Huang
Chemistry Faculty Research and Publications

Synthesis and Evaluation of 4-Cycloheptylphenols as Selective Estrogen Receptor-β Agonists (SERBAs), K. L. Iresha Sampathi Perera, Alicia M. Hanson, Sergey V. Lindeman, Andrea Imhoff, Xingyun Lu, Daniel S. Sem, William A. Donaldson
Chemistry Faculty Research and Publications

Synthesis of a Novel Bicyclic Scaffold Inspired by the Antifungal Natural Product Sordarin, Yibiao Wu, Chris Dockendorff
Chemistry Faculty Research and Publications

DFT-assisted Design and Evaluation of Bifunctional Copper(I) Catalysts for the Direct Intermolecular Addition of Aldehydes and Ketones to Alkynes, Jacob D. Porter, Eric Greve, Abdulmohsen Alsafran, Adam R. Benoit, Sergey V. Lindeman, Chris Dockendorff
Chemistry Faculty Research and Publications

A Synthetic Model of the Nonheme Iron–Superoxo Intermediate of Cysteine Dioxygenase, Anne A. Fischer, Sergey V. Lindeman, Adam T. Fiedler
Chemistry Faculty Research and Publications

Photochemical Expulsion of Leaving Groups from a Naphthothiophene-2-Carboxamide Linked to a Chromophore, Lingzi Li
Dissertations (1934 -)

Design, Synthesis and Study of Redox and Optoelectronic Properties of Aromatic Oxidants and Polycyclic Aromatic Hydrocarbons, Mohammad Mosharraf Hossain
Dissertations (1934 -)

The Photodynamic and Structural Analyses of Advanced Materials for Solar Fuel Conversion, Brian Pattengale
Dissertations (1934 -)

Molecular Actuators in Action: Electron-Transfer-Induced Conformation Transformation in Cofacially Arrayed Polyfluorenes, Denan Wang, Marat R. Talipov, Maxim Vadimovich Ivanov, Saber Mirzaei, Sergey V. Lindeman, Sheng Cai, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

Experimental and Computational Study of the (Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C–H Coupling of Phenols with Ketones, Hanbin Lee, Manoj V. Mane, Ho Ryu, Debashis Sahu, Mu-Hyun Baik, Chae S. Yi
Chemistry Faculty Research and Publications

Spreading Electron Density Thin: Increasing the Chromophore Size in Polyaromatic Wires Decreases Interchromophoric Electronic Coupling, Mohammad Mosharraf Hossain, Maxim Vadimovich Ivanov, Denan Wang, Scott A. Reid, Rajendra Rathore
Chemistry Faculty Research and Publications

Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials, Maxim Vadimovich Ivanov, Scott A. Reid, Rajendra Rathore
Chemistry Faculty Research and Publications

Photoinduced interfacial charge separation dynamics in zeolitic imidazolate framework, Brian Pattengale, Jier Huang
Chemistry Faculty Research and Publications

The Role of Torsional Dynamics on Hole and Exciton Stabilization in π‐Stacked Assemblies: Design of Rigid Torsionomers of a Cofacial Bifluorene, Denan Wang, Maxim Vadimovich Ivanov, Damian Kokkin, John Loman, Jin-Zhe Cai, Scott A. Reid, Rajendra Rathore
Chemistry Faculty Research and Publications

Characterization of Protease-Activated Receptor (PAR) Ligands: Parmodulins are Reversible Allosteric Inhibitors of PAR1-Driven Calcium Mobilization in Endothelial Cells, Disha M. Gandhi, Mark W. Majewski, Ricardo Rosas Jr., Kaitlin Kentala, Trevor J. Foster, Eric Greve, Chris Dockendorff
Chemistry Faculty Research and Publications

NADPH-Cytochrome P450 Oxidoreductase: Extraction of the Full-Length Protein and Methyl-TROSY NMR of the Soluble Mutants, Sara Ali Jamal Arafeh
Master's Theses (2009 -)

Insight into Solvent Coordination of an Iron Porphyrin Hydroxylamine Complex from Spectroscopy and DFT Calculations, Md. Hafizur Rahman, Michael D. Ryan
Chemistry Faculty Research and Publications

Synthetic Analogues of the Snail Toxin 6-Bromo-2-mercaptotryptamine Dimer (BrMT) Reveal That Lipid Bilayer Perturbation Does Not Underlie Its Modulation of Voltage-Gated Potassium Channels, Chris Dockendorff, Disha M. Gandhi, Ian H. Kimball, Kenneth S. Eum, Radda Rusinova, Helgi I. Ingolfsson, Ruchi Kapoor, Thasin Peyear, Matthew W. Dodge, Stephen F. Martin, Richard W. Aldrich, Olaf S. Andersen, Jon T. Sack
Chemistry Faculty Research and Publications

Synthesis and Characterization of Biomimetic Models of Mononuclear Nonheme Iron Dioxygenases and Their Reactive Intermediates, Anne Alyse Fischer
Dissertations (1934 -)

Photoremovable Protecting Groups Based on Electrocyclization with Leaving Group Expulsion Via a Proposed Zwitterion, Gilbert Ndzeidze
Dissertations (1934 -)

Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines, Pandula T. Kirinde Arachchige, Hanbin Lee, Chae S. Yi
Chemistry Faculty Research and Publications

Practical Spectrophotometric Assay for the dapE-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase, a Potential Antibiotic Target, Tahirah K. Heath, Marlon R. Lutz Jr., Cory Reidl, Estefany R. Guzman, Claire A. Herbert, Boguslaw P. Nocek, Richard C. Holz, Kenneth W. Olsen, Miguel A. Ballicora, Daniel P. Becker
Chemistry Faculty Research and Publications

Reaction Chemistry of Silver(I) Trifluoromethanesulfonate Complexes of Nitrogen-Confused C-Scorpionates, James R. Gardinier, Kristin J. Meise, Fathiya Jahan, Sergey V. Lindeman
Chemistry Faculty Research and Publications

Direct Patterning of a Cyclotriveratrylene Derivative for Directed Self-Assembly of C60, Zachary R. Osner, Dorjderem Nyamjav, Richard C. Holz, Daniel P. Becker
Richard C. Holz

An Analytical Method for Detecting Toxic Metal Cations Using Cyclotriveratrylene Derivative Capped Gold Nanoparticles, Zachary R. Osner, Richard C. Holz, Daniel P. Becker
Richard C. Holz

Interaction of Porcine Uterine Fluid Purple Acid Phosphatase with Vanadate and Vanadyl Cation, Debbie C. Crans, Carmen M. Simone, Richard C. Holz, Lawrence Que Jr
Richard C. Holz

Analyzing the Catalytic Role of Active Site Residues in the Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1, Salette Martinez, Rui Wu, Karoline Krzywda, Veronika Opalka, Hei Chan, Dali Liu, Richard C. Holz
Richard C. Holz

Fighting Antibiotic Resistance: The dapE-encoded N-succinyl-L, L-Diaminopimelic Acid Desuccinylase from Haemophilus influenzae in a Dinuclear Metallohydrolase, Nathaniel J. Cosper, David L. Bienvenue, Jacob E. Shokes, Danuta M. Gilner, Takashi Tsukamoto, Robert A. Scott, Richard C. Holz
Richard C. Holz

Inhibitors of Bacterial N-Succinyl-L,L-diaminopimelic Acid Desuccinylase (DapE) and Demonstration of In Vitro Antimicrobial Activity, Danuta Gillner, Nicola Armoush, Richard C. Holz, Daniel P. Becker
Richard C. Holz

The Dimerization Domain in DapE Enzymes Is Required for Catalysis, Boguslaw Nocek, Anna Starus, Magdalena Makowska-Grzyska, Blanca Gutierrez, Stephen Sanchez, Robert Jedrzejczak, Jamey C. Mack, Kenneth W. Olsen, Andrzej Joachimiak, Richard C. Holz
Richard C. Holz

Identification of a Histidine Metal Ligand in the argE-Encoded N-Acetyl-L-Ornithine Deacetylase from Escherichia coli, Wade C. McGregor, Danuta M. Gillner, Sabina I. Swierczek, Dali Liu, Richard C. Holz
Richard C. Holz

Lysine Biosynthesis in Bacteria: A Metallodesuccinylase as a Potential Antimicrobial Target, Danuta M. Gillner, Daniel P. Becker Ph.D., Richard C. Holz
Richard C. Holz

Inhibition of the dapE-Encoded N-Succinyl- ʟ, ʟ-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by ʟ-Captopril, Anna Starus, Boguslaw Nocek, Brian Bennett, James A. Larrabee, Daniel L. Shaw, Wisath Sae-Lee, Marie T. Russo, Danuta M. Gillner, Magdalena Makowska-Grzyska, Andzrej Joachimiak, Richard C. Holz
Richard C. Holz

NMR resonance assignments of RNase P protein from Thermotoga maritima, Danyun Zeng, Benjamin P. Brown, Markus W. Voehler, Sheng Cai, Nicholas J. Reiter
Chemistry Faculty Research and Publications

From Intramolecular (Circular) in an Isolated Molecule to Intermolecular Hole Delocalization in a Two‐Dimensional Solid‐State Assembly: The Case of Pillarene, Maxim V. Ivanov, Denan Wang, Tushar S. Navale, Sergey V. Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications

Quantum dynamics of isolated molecules: general discussion, Dmitri Babikov, David Benoit, Joel Bowman, Timothy Burd, David Clary, Robert Donovan, Ingo Fischer, Francesco Gianturco, Majdi Hochlaf, Susmita Kar, Adam Kirrander, Stephen Leone, Thomas Malcomson, Uwe Manthe, Anne B. McCoy, Jens Petersen, Jeremy Richardson, Petr Slavíček, Thierry Stoecklin, Krzysztof Szalewicz, Ad van der Avoird, Roland Wester, Graham Worth, Anne Zehnacker-Rentien
Chemistry Faculty Research and Publications

Recent progress in the synthesis of six-membered aminocyclitols (2008-2017), William Donaldson
Chemistry Faculty Research and Publications

A–C Estrogens as Potent and Selective Estrogen Receptor-Beta Agonists (SERBAs) to Enhance Memory Consolidation under Low-Estrogen Conditions, Alicia M. Hanson, K. L. Iresha Sampathi Perera, Jaekyoon Kim, Rajesh K. Pandey, Noreena Sweeney, Xingyun Lu, Andrea Imhoff, Alexander Craig Mackinnon, Adam J. Wargolet, Rochelle M. Van Hart, Karyn M. Frick, William A. Donaldson, Daniel S. Sem
Chemistry Faculty Research and Publications

Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications

Dicarbon­yl{[(E,E)-(2,3,4,5-η)-6-meth­­oxy-6-oxo-2,4-hexa­dien­yl]tri­phenyl­phospho­nium}(tri­phenyl­phosphane-κP)iron(1+) hexa­fluorido­phosphate, Yuzhi Ma, Sergey V. Lindeman, William A. Donaldson
Chemistry Faculty Research and Publications

Human P450 CYP17A1: Control of Substrate Preference by Asparagine 202, Michael C. Gregory, Piotr J. Mak, Yogan Khatri, James R. Kincaid, Stephen G. Sligar
Chemistry Faculty Research and Publications

Structural Evidence of a Major Conformational Change Triggered by Substrate Binding in DapE Enzymes: Impact on the Catalytic Mechanism, Boguslaw P. Nocek, Cory Reidl, Anna Starus, Tahirah Heath, David L. Bienvenue, Jerzy Osipiuk, Robert Jedrzejczak, Andzrej Joachimiak, Daniel P. Becker, Richard C. Holz
Chemistry Faculty Research and Publications

Study of Förster Resonance Energy Transfer to Lipid Domain Markers Ascertains Partitioning of Semisynthetic Lipidated N-Ras in Lipid Raft Nanodomains, Anna K. Shishina, Elizaveta A. Kovrigina, Azamat R. Galiakhmetov, Rajendra Rathore, Evgenii L. Kovrigin
Chemistry Faculty Research and Publications

From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization, Maxim V. Ivanov, Denan Wang, Rajendra Rathore
Chemistry Faculty Research and Publications

Strength of π-Stacking, from Neutral to Cation: Precision Measurement of Binding Energies in an Isolated π-Stacked Dimer, Damian Kokkin, Maxim V. Ivanov, John Loman, Jin-Zhe Cai, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

Ionic Liquid Meidated Synthesis of Cellulose and Chitosan Composite for Purification of Drinking Water, Chieu D. Tran, James Nyakuchena
Chemistry Faculty Research and Publications

Properties of Feshbach and “shape”-resonances in ozone and their role in recombination reactions and anomalous isotope effects, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications

Application of Methyl-TROSY to a Large Paramagnetic Membrane Protein Without Perdeuteration: ¹³C-MMTS-labeled NADPH-cytochrome P450 Oxidoreductase, Azamat R. Galiakhmetov, Elizaveta A. Kovrigina, Chuanwu Xia, Jung-Ja P. Kim, Evgueni Kovrigin
Chemistry Faculty Research and Publications

Synthesis of a Linear Fragment Containing the C23-C26 Stereocenters of Phorboxazole: A Flexible Molecule with Defined Conformation, Patrick Bernard Greer, William A. Donaldson
Chemistry Faculty Research and Publications

FHBC, a Hexa‐peri‐hexabenzocoronene–Fluorene Hybrid: A Platform for Highly Soluble, Easily Functionalizable HBCs with an Expanded Graphitic Core, Tushar S. Navale, Maxim V. Ivanov, Mohammad M. Hossain, Rajendra Rathore
Chemistry Faculty Research and Publications

Facile Synthesis, Structure, Biocompatibility and Antimicrobial Property of Gold Nanoparticle Composites from Cellulose and Keratin, Chieu D. Tran, Franja Prosenc, Mladen Franko
Chemistry Faculty Research and Publications

Elucidating Charge Separation Dynamics in a Hybrid Metal–Organic Framework Photocatalyst for Light-Driven H₂ Evolution, Sizhuo Yang, Donghua Fan, Wenhui Hu, Brian Pattengale, Cunming Liu, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications

PAR1 Agonists Stimulate APC-Like Endothelial Cytoprotection and Confer Resistance to Thromboinflammatory Injury, Karen De Ceunynck, Christian G. Peters, Abhishek Jain, Sarah J. Higgins, Omozuanvbo Aisiku, Jennifer L. Fitch-Tewfik, Sharjeel A. Chaudhry, Chris Dockendorff, Samir M. Parikh, Donald E. Ingber, Robert Flaumenhaft
Chemistry Faculty Research and Publications

Unravelling the Correlation of Electronic Structure and Carrier Dynamics in CuInS2 Nanoparticles, Wenhui Hu, John Ludwig, Brian Pattengale, Sizhuo Yang, Cunming Liu, Xiaobing Zuo, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications

Unravelling the Correlation of Electronic Structure and Carrier Dynamics in CuInS₂ Nanoparticles, Wenhui Hu, John Ludwig, Brian Pattengale, Sizhuo Yang, Cunming Liu, Xiaobing Zuo, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications

Catalytic Reduction of Bisulfite by Myoglobin/Surfactant Films, Radalla Abdellatty, Md. Hafizur Rahman, Michael D. Ryan
Chemistry Faculty Research and Publications

Mechanistic Probes of Zeolitic Imidazolate Framework for Photocatalytic Application, Brian Pattengale, Sizhuo Yang, Sungsik Lee, Jier Huang
Chemistry Faculty Research and Publications

Ruthenium Catalyzed Deaminative Coupling Reaction of Amines Via C-N Bond Activation, Pandula T. Kirinde Arachchige
Master's Theses (2009 -)

Spin Crossover Behavior of N-Confused C-Scorpionate Complexes of Iron(II) Trifluoromethanesulfonate, Kristin Joy Meise
Master's Theses (2009 -)

Racemic and Enantiopure Forms of 3‐Ethyl‐3‐Phenylpyrrolidin‐2‐One Adopt Very Different Crystal Structures, Arcadius V. Krivoshein, Sergey V. Lindeman, Tatiana V. Timofeeva, Victor N. Khrustalev
Chemistry Faculty Research and Publications

Nucleotide-Dependent Preferential Localization of Ras in Model Membranes with Lipid Raft Nanodomains, Anna Shishina
Dissertations (1934 -)

Spectral Characterization of Cytochromes P450 Active Sites Using NMR and Resonance Raman Spectroscopy, Remigio Usai
Dissertations (1934 -)

Spectroscopic and Computational Studies of Reversible O₂ Binding by a Cobalt Complex of Relevance to Cysteine Dioxygenase, Anne A. Fischer, Sergey V. Lindeman, Adam T. Fiedler
Chemistry Faculty Research and Publications

Metallic-Like Bonding in Plasma-Born Silicon Nanocrystals for Nanoscale Bandgap Engineering, Holger Vach, Lena V. Ivanova, Qadir K. Timerghazin, Fatme Jardali, Ha-Linh Thi Le
Chemistry Faculty Research and Publications

When Substituents Do Not Matter: Frontier Orbitals Explain the Unusually High and Invariant Oxidation Potential in Alkoxy-, Alkyl-, and H-Substituted Iptycenes, Maxim V. Ivanov, Denan Wang, Shriya Wadumethrige, Rajendra Rathore
Chemistry Faculty Research and Publications

Altering the Coordination of Iron Porphyrins by Ionic Liquid Nanodomains in Mixed Solvent Systems, Abderrahman Atifi, Michael D. Ryan
Chemistry Faculty Research and Publications

Toward Reliable Modeling of S-nitrosothiol Chemistry: Structure and Properties of Methyl Thionitrite (CH3SNO), an S-nitrosocysteine Model, Dmitry Khomyakov, Qadir K. Timerghazin
Chemistry Faculty Research and Publications

Reactivity of (1-methoxycarbonylpentadienyl)iron(1+) cations with hydride, methyl, and nitrogen nucleophiles, Yuzhi Ma, Young K. Yun, Julie L. Wondergem, Anobick Sar, Jayapal Reddy Gone, Sergey V. Lindeman, William Donaldson
Chemistry Faculty Research and Publications

Mixed Quantum/Classical Theory (MQCT) for Rotationally and Vibrationally Inelastic Scattering and Its Application to the Molecules of Astrochemical Importance, Alexander Semenov
Dissertations (1934 -)

Design and Synthesis of Selective Estrogen Receptor β Agonists and Their Pharmacology, K. L. Iresha Sampathi Perera
Dissertations (1934 -)

Redox and Spectroscopic Properties of Protonated Species of Iron Porphyrin Nitroxlys and Their Analogues, Md. Hafizur Rahman
Dissertations (1934 -)

Functional and Structural Studies of Cytochromes P450 by Resonance Raman Spectroscopy, Yilin Liu
Dissertations (1934 -)

Analysis of Ultrafast Transient Absorption Spectroscopy Data using Integrative Data Analysis Platform: 1. Data Processing, Fitting, and Model Selection, Evgueni Kovriguine
Chemistry Faculty Research and Publications

Unraveling the Coulombic Forces in Electronically Decoupled Bichromophoric Systems during Two Successive Electron Transfers, Maxim V. Ivanov, Shriya Wadumethrige, Denan Wang, Rajendra Rathore
Chemistry Faculty Research and Publications

MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H₂O + H₂O, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

Bimetallic Cooperativity in Proton Reduction with an Amido‐Bridged Cobalt Catalyst, Kenneth K. Kpogo, Shivnath Mazumder, Denan Wang, H. Bernhard Schlegel, Adam T. Fiedler, Cláudio N. Verani
Chemistry Faculty Research and Publications

Resolving Three-State Ligand-Binding Mechanisms By Isothermal Titration Calorimetry: A Simulation Study, Evgueni Kovriguine
Chemistry Faculty Research and Publications

High-Index Faceted Cufes₂ Nanosheets with Enhanced Behavior for Boosting Hydrogen Evolution Reaction, Yuxuan Li, Yu Wang, Brian Pattengale, Jie Yin, Li An, Fangyi Cheng, Yafei Li, Jier Huang, Pinxian Xi
Chemistry Faculty Research and Publications

Effect of Facial Encumbrance on Excimer Formation and Charge Resonance Stabilization in Model Bichromophoric Assemblies, Brandon Uhler, Maxim V. Ivanov, Damian Kokkin, Neil Reilly, Rajendra Rathore, Scott Reid
Chemistry Faculty Research and Publications

Serendipitous Discovery of Light-Induced (In Situ) Formation of An Azo-Bridged Dimeric Sulfonated Naphthol as a Potent PTP1B Inhibito, Robert D. Bongard, Michael Lepley, Khushabu Thakur, Marat R. Talipov, Jaladhi Nayak, Rachel A. Jones Lipinski, Chris Bohl, Noreena Sweeney, Ramani Ramchandran, Rajendra Rathore, Daniel S. Sem
Chemistry Faculty Research and Publications

Computational Modeling of S-Thiolation Reaction: Toward Discovering the Enzymatic Mechanisms of Endogenous HNO Formation, Elena Ivanova
Dissertations (1934 -)

Synthesis and Study of the Electrochemical and Optoelectronic Properties of π-Conjugated Poly-P-Phenylene-Based Molecular Wires, Anitha Boddeda
Dissertations (1934 -)

Ruthenium-Catalyzed Dehydrogenative and Dehydrative C-H Coupling Reactions of Arenes with Alcohols and Carbonyl Compounds, Hanbin Lee
Dissertations (1934 -)

Theoretical Study of Ozone Forming Recombination Reaction and Anomalous Isotope Effect Associated with It, Alexander Teplukhin
Dissertations (1934 -)

On the Structure and Properties of S-Nitrosated Cysteine Models: A Computational Study, Dmitry Khomyakov
Dissertations (1934 -)

NMR Line Shape Analysis of a Multi-state Ligand Binding Mechanism in Chitosanase, Shoko Shinya, Mariana G. Ghinet, Ryszard Brzezinski, Kyoko Furuita, Chojiro Kojima, Sneha Shah, Evgeni Kovrigin, Tamo Fukamizo
Chemistry Faculty Research and Publications

Oxygen Activation by Mononuclear Mn, Co, and Ni Centers in Biology and Synthetic Complexes, Adam T. Fiedler, Anne A. Fischer
Chemistry Faculty Research and Publications

Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies, Maxim Vadimovich Ivanov, Vincent J. Chebny, Marat R. Talipov, Rajendra Rathore
Chemistry Faculty Research and Publications

Lipid Bilayer Perturbation by the Snail Toxin 6-Bromo-2-Mercaptotryptamine Dimer does not Account for its Modulation of Voltage-Gated Potassium Channels, Chris Dockendorff, Disha M. Gandhi, Ian H. Kimball, Kenneth S. Eum, Radda Rusinova, Helgi I. Ingolfsson, Ruchi Kapoor, Thasin Peyear, Stephen F. Martin, Richard W. Aldrich, Olaf S. Andersen, Jon T. Sack
Chemistry Faculty Research and Publications

Modeling of S‐Nitrosothiol–Thiol Reactions of Biological Significance: HNO Production by S‐Thiolation Requires a Proton Shuttle and Stabilization of Polar Intermediates, Lena V. Ivanova, Daniel Cibich, Gregory Deye, Marat R. Talipov, Qadir K. Timerghazin
Chemistry Faculty Research and Publications

Implicating the Contributions of Surface and Bulk States on Carrier Trapping and Photocurrent Performance of BiVO₄ Photoanodes, Brian Pattengale, Jier Huang
Chemistry Faculty Research and Publications

Isolation of a Chiral Anthracene Cation Radical: X-Ray Crystallography and Computational Interrogation of its Racemization, Mikhail V. Ivanov, Khushabu Thakur, Anshul Bhatnagar, Rajendra Rathore
Chemistry Faculty Research and Publications

Redox and Spectroscopic Properties of Iron Porphyrin Nitroxyl in the Presence of Weak Acids, Md. Hafizur Rahman, Michael D. Ryan
Chemistry Faculty Research and Publications

Light-Driven Hydrogen Production from Aqueous Solutions Based on a New Dubois-Type Nickel Catalyst, Y. Zhou, S. Yang, J. Huang
Chemistry Faculty Research and Publications

Recombination Reactions as a Possible Mechanism of Mass-Independent Fractionation of Sulfur Isotopes in the Archean Atmosphere of Earth, Dmitri Babikov
Chemistry Faculty Research and Publications

Three Sources of Errors in The Ehrenfest Treatment of Inelastic Scattering and Possible Ways of Resolving Them, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

Dual Specificity Phosphatase 5‐Substrate Interaction: A Mechanistic Perspective, Raman G. Kutty, Marat R. Talipov, Robert D. Bongard, Rachel A. Jones Lipinski, Noreena Sweeney, Daniel Sem, Rajendra Rathore, Ramani Ramchandran
Chemistry Faculty Research and Publications

Cofacially Arrayed Polyfluorenes: Spontaneous Formation of π-Stacked Assemblies in the Gas Phase, Maxim Vadimovich Ivanov, Neil Reilly, Brandon Uhler, Damian Kokkin, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications

Active Site Structures of CYP11A1 in the Presence of Its Physiological Substrates and Alterations upon Binding of Adrenodoxin, Qianhong Zhu, Piotr J. Mak, Robert C. Tuckey, James R. Kincaid
Chemistry Faculty Research and Publications

Cytoprotective Activated Protein C Averts Nlrp3 Inflammasome–Induced Ischemia-Reperfusion Injury Via Mtorc1 Inhibition, Sumra Nazir, Ihsan Gadi, Moh'd Mohanad Al-Dabet, Ahmed Elwakiel, Shrey Kohli, Sanchita Ghosh, Jayakumar Manoharan, Satish Ranjan, Fabian Bock, Ruediger C. Braun-Dullaeus, Charles T. Esmon, Tobias B. Huber, Eric Camerer, Chris Dockendorff, John H. Griffin, Berend Isermann, Khurrum Shahzad
Chemistry Faculty Research and Publications

Biocompatible Copper Oxide Nanoparticle Composites from Cellulose and Chitosan: Facile Synthesis, Unique Structure, and Antimicrobial Activity, Chieu D. Tran, James Makuvaza, Erik Munson, Brian Bennett
Chemistry Faculty Research and Publications

The Effect of Mo Doping on The Charge Separation Dynamics and Photocurrent Performance of BiVO₄ Photoanodes, Brian Pattengale, Jier Huang
Chemistry Faculty Research and Publications

Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor–Bridge–Donor Wires, Denan Wang, Marat R. Talipov, Maxim Vadimovich Ivanov, Rajendra Rathore
Chemistry Faculty Research and Publications

Conformational States of Cytochrome P450 Oxidoreductase Evaluated by Förster Resonance Energy Transfer Using Ultrafast Transient Absorption Spectroscopy, Elizaveta A. Kovrigina, Brian Pattengale, Chuanwu Xia, Azamat R. Galiakhmetov, Jier Huang, Jung Ja Kim, Evgueni Kovrigin
Chemistry Faculty Research and Publications

Critical Role of the Secondary Binding Pocket in Modulating the Enzymatic Activity of DUSP5 toward Phosphorylated ERKs, Marat R. Talipov, Jaladhi Nayak, Michael Lepley, Robert D. Bongard, Daniel Sem, Ramani Ramchandran, Rajendra Rathore
Chemistry Faculty Research and Publications

Synthesis, X-ray Structures, Electronic Properties, and O₂/NO Reactivities of Thiol Dioxygenase Active-Site Models, Anne A. Fischer, Nuru Stracey, Sergey V. Lindeman, Thomas C. Brunold, Adam T. Fiedler
Chemistry Faculty Research and Publications

Dihedral-Angle-Controlled Crossover from Static Hole Delocalization to Dynamic Hopping in Biaryl Cation Radicals, Marat R. Talipov, Tushar S. Navale, Mohammad M. Hossain, Ruchi Shukla, Maxim V. Ivanov, Rajendra Rathore
Chemistry Faculty Research and Publications

An Investigation of the Requirements for Excimer Formation and Charge Stabilization in Model Pi-Stacked Assemblies, Brandon Uhler
Dissertations (1934 -)

Synthesis, Structure and Antimicrobial Property of Green Composites from Cellulose, Wool, Hair and Chicken Feather, Chieu D. Tran, Franja Prosenc, Mladen Franko, Gerald Benzi
Chemistry Faculty Research and Publications

Analysis of Heme Iron Coordination in DGCR8: The Heme-Binding Component of the Microprocessor Complex, Hazel M. Girvan, Justin M. Bradley, Myles R. Cheesman, James R. Kincaid, Yilin Liu, Kazimierz Czarnecki, Karl Fisher, David Leys, Stephen E. J. Rigby, Andrew W. Munro
Chemistry Faculty Research and Publications

Efficient Method for Calculations of Ro-vibrational States in Triatomic Molecules Near Dissociation Threshold: Application to Ozone, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications

Two's Company, Three's a Crowd: Exciton Localization in Cofacially Arrayed Polyfluorenes, Marat R. Talipov, Maxim Vadimovich Ivanov, Scott Reid, Rajendra Rathore
Chemistry Faculty Research and Publications

First Experimental Evidence for the Diverse Requirements of Excimer vs Hole Stabilization in π-Stacked Assemblies, Neil Reilly, Maxim Vadimovich Ivanov, Brandon Uhler, Marat R. Talipov, Rajendra Rathore, Scott Reid
Chemistry Faculty Research and Publications

Evidence That Cytochrome b₅ Acts as a Redox Donor in CYP17A1 Mediated Androgen Synthesis, Ruchia Duggal, Yilin Liu, Michael C. Gregory, Ilia G. Denisov, James R. Kincaid, Stephen G. Sligar
Chemistry Faculty Research and Publications

Probing the Effects of Nano-Domains on the Redox Products in Molecular Solvents-RTILs Mixtures, Abderrahman Atifi
Dissertations (1934 -)

Resonance Raman Studies of Oxygenated Forms of Myoglobin and CYP2B4 and Their Mutants, Ying Wang
Dissertations (1934 -)

Multifunctional Heterocyclic Scaffolds for Hybrid Lewis Acid/Lewis Base Catalysis of Carbon–Carbon Bond Formation, Dennis Wiedenhoeft, Adam R. Benoit, Yibiao Wu, Jacob D. Porter, Elisia Meyle, Teresa H.W. Yeung, Raechel Huff, Sergey Lindeman, Chris Dockendorff
Chemistry Faculty Research and Publications

Supramolecular Assembly of Metal-Organic Tubes Constructed from the Ditopic Heteroscorpionate Ligand (4-NH₂C₆H₄)CHpz₂ (pz = Pyrazol-1-yl) and Silver(I), James R. Gardinier, Jeewantha S. Hewage, Justin Hoffman, Sergey V. Lindeman, Natalia B. Shustova
Chemistry Faculty Research and Publications

Mononuclear Iron-(hydro/semi)quinonate Complexes Featuring Neutral and Charged Scorpionates: Synthetic Models of Intermediates in the Hydroquinone Dioxygenase Mechanism, Amanda E. Baum, Sergey V. Lindeman, Adam T. Fiedler
Chemistry Faculty Research and Publications

The Use of Isomeric Testosterone Dimers to Explore Allosteric Effects in Substrate Binding to Cytochrome P450 CYP3A4, Ilia G. Denisov, Piotr J. Mak, Yelena V. Grinkova, Dominic Bastien, Gervais Bérubé, Stephen G. Sligar, James R. Kincaid
Chemistry Faculty Research and Publications

Investigation of the Use of a Plasticizer-Polymer Sensor Coating with Improved Long-Term Stability in the Liquid Phase, Laura Jeanne Alderson
Master's Theses (2009 -)

Development of New Ligand Scaffolds for the Preparation of Heterobimetallic Complexes, Alexander Richard Treleven
Master's Theses (2009 -)

Synthetic and Mechanistic Studies of Ruthenium Catalyzed C-C and C-O Bond Activation Reactions, Junghwa Kim
Dissertations (1934 -)

Photochemical Electrocyclic Ring Closure and Elimination Reactions of N-(Oxothioxanthenyl)Naphthothiophene Carboxamides, Himali Devika Jayasekara
Dissertations (1934 -)

Novel Numerical Models of Electrostatic Interactions and Their Application to S-Nitrosothiol Simulations, Maxim Vadimovich Ivanov
Dissertations (1934 -)

Synthesis and Characterization of Biologically Relevant Fe(II) Complexes Containing Redox-Active (Hydro)quinone Ligands, Amanda Elizabeth Baum
Dissertations (1934 -)

Fluorescence of Supported Phospholipid Bilayers Recorded in a Conventional Horizontal-Beam Spectrofluorometer, Elizaveta A. Kovrigina, Evgeni L. Kovrigin
Chemistry Faculty Research and Publications

Reactivity of Acyclic (pentadienyl)iron(1+) Cations with Phosphonate Stabilized Nucleophiles: Application to the Synthesis of Oxygenated Metabolites of Carvone, Do W. Lee, Charles Felix Manful, Jayapal Reddy Gone, Yuzhi Ma, William Donaldson
Chemistry Faculty Research and Publications

Influence of RTIL Nanodomains on the Voltammetry and Spectroelectrochemistry Of Fullerene C₆₀ in Benzonitrile/Room Temperature Ionic Liquids Mixtures, Abderrahman Atifi, Michael D. Ryan
Chemistry Faculty Research and Publications

Inelastic Scattering of Identical Molecules within Framework of the Mixed Quantum/Classical Theory: Application to Rotational Excitations in H₂ + H₂, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

Design and Synthesis of Oxazoline-Based Scaffolds for Hybrid Lewis Acid/Lewis Base Catalysis of Carbon–Carbon Bond Formation, Dennis Wiedenhoeft, Adam R. Benoit, Jacob D. Porter, Yibiao Wu, Rajdeep S. Virdi, Alaa Shanaa, Chris Dockendorff
Chemistry Faculty Research and Publications

Does Koopmans’ Paradigm for 1-Electron Oxidation Always Hold? Breakdown of IP/E_ox Relationship for p-Hydroquinone Ethers and the Role of Methoxy Group Rotation, Marat R. Talipov, Anitha Boddeda, Sergey V. Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications

A Full-Dimensional Model of Ozone Forming Reaction: The Absolute Value of the Recombination Rate Coefficient, Its Pressure and Temperature Dependencies, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications

Reactivity of (3-Methylpentadienyl)iron(1+) Cation: Late-stage Introduction of a (3-Methyl-2Z,4-pentadien-1-yl) Side Chain, Subhabrata Chaudhury, Shukun Li, William A. Donaldson
Chemistry Faculty Research and Publications

Accessing Spin-Crossover Behaviour In Iron(II) Complexes Of N-Confused Scorpionate Ligands, James R. Gardinier, Alexander Richard Treleven, Kristin J. Meise, Sergey Lindeman
Chemistry Faculty Research and Publications

A Flipped Classroom Redesign in General Chemistry, Scott Reid
Chemistry Faculty Research and Publications

Hydrogen-atom Attack on Phenol and Toluene is ortho-directed, Olha Krechkivska, Callan M. Wilcox, Tyler P. Troy, Klaas Nauta, Bun Chan, Rebecca Jacob, Scott A. Reid, Leo Radom, Timothy W. Schmidt, Scott H. Kable
Chemistry Faculty Research and Publications

A Search for Blues Brothers: X-ray Crystallographic/Spectroscopic Characterization of the Tetraarylbenzidine Cation Radical as a Product of Aging of Solid Magic Blue, Marat R. Talipov, Mohammad M. Hossain, Anitha Boddeda, Khushabu Thakur, Rajendra Rathore
Chemistry Faculty Research and Publications

From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables, Marat R. Talipov, Sameh H. Abdelwahed, Khushabu Thakur, Scott Reid, Rajendra Rathore
Chemistry Faculty Research and Publications

On Stabilization of Scattering Resonances in Recombination Reaction that Forms Ozone, Mikhail V. Ivanov, Dmitri Babikov
Chemistry Faculty Research and Publications

Exceptionally Long-Lived Charge Separated State in Zeolitic Imidazolate Framework: Implication for Photocatalytic Applications, Brian Pattengale, Sizhuo Yang, John Ludwig, Zhuangqun Huang, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications

A One-Hole Cu₄S Cluster with N₂O Reductase Activity: A Structural and Functional Model for Cu_Z, Brittany J. Johnson, William E. Antholine, Sergey Lindeman, Michael J. Graham, Neal P. Mankad
Chemistry Faculty Research and Publications

One-Pot Synthesis of Biocompatible Silver Nanoparticle Composites from Cellulose and Keratin: Characterization and Antimicrobial Activity, Chieu D. Tran, Franja Prosenc, Mladen Franko, Gerald Benzi
Chemistry Faculty Research and Publications

X-ray Structure and Properties of the Ferrous Octaethylporphyrin Nitroxyl Complex, Nagabhushanam Kundakarla, Sergey V. Lindeman, Hafiz Md. Rahman, Michael D. Ryan
Chemistry Faculty Research and Publications

Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering, Dmitri Babikov, Alexander Semenov
Chemistry Faculty Research and Publications

Direct Observation of Photoinduced Charge Separation in Ruthenium Complex/Ni(OH)₂ Nanoparticle Hybrid, Yu Tang, Brian Pattengale, John Ludwig, Abderrahman Atifi, Alexander V. Zinovev, Bin Dong, Qingyu Kong, Xiaobing Zuo, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications

A Circle Has No End: Role of Cyclic Topology and Accompanying Structural Reorganization on the Hole Distribution in Cyclic and Linear Poly‑p‑phenylene Molecular Wires, Marat R. Talipov, Ramesh Jasti, Rajendra Rathore
Chemistry Faculty Research and Publications

Unveiling the Crucial Intermediates in Androgen Production, Piotr J. Mak, Michael C. Gregory, Ilia G. Denisov, Stephen G. Sligar, James R. Kincaid
Chemistry Faculty Research and Publications

Mixed Quantum/Classical Theory for Molecule–Molecule Inelastic Scattering: Derivations of Equations and Application to N₂ + H₂ System, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

The HOMO Nodal Arrangement in Polychromophoric Molecules and Assemblies Controls the Interchromophoric Electronic Coupling, Marat R. Talipov, Tushar Navale, Rajendra Rathore
Chemistry Faculty Research and Publications

Spectroscopic Evidence of Nanodomains in THF/RTIL Mixtures: Spectroelectrochemical and Voltammetric Study of Nickel Porphyrins, Abderrahman Atifi, Michael D. Ryan
Chemistry Faculty Research and Publications

Ligand Frameworks for Transition-Metal Complexes That Model Metalloenzyme Active, Denan Wang
Dissertations (1934 -)

With Vibrationally Excited Thiophosgene Molecule and Double-Well Ion Traps, Dmytro Shyshlov
Dissertations (1934 -)

S-Nitrosothiols: Electronic Structure and Substituent Effects, Matthew Flister
Dissertations (1934 -)

Mixed Valent Metal Pincer Complexes and Reactivity of Metal Complexes of Extended Pincer Ligands, Jeewantha Sampath Hewage
Dissertations (1934 -)

A Deeper Insight into Strain for the Sila-bi[6]prismane (Si₁₈H₁₂) Cluster with its Endohedrally Trapped Silicon Atom, Si₁₉H₁₂, Vach Holger, Lena V. Ivanova, Qadir K. Timerghazin, Fatme Jardali, Ha-Linh Thi Le
Chemistry Faculty Research and Publications

Does Koopmans' Paradigm for 1-Electron Oxidation Always Hold? Breakdown of IP/Eox Relationship for p-Hydroquinone Ethers and the Role of Methoxy Group Rotation, Marat R. Talipov, Anitha Boddeda, Sergey Lindeman, Rajendra Rathore
Chemistry Faculty Research and Publications

The Ras G Domain Lacks the Intrinsic Propensity to Form Dimers, Elizaveta A. Kovrigina, Azamat R. Galiakhmetov, Evgueni Kovriguine
Chemistry Faculty Research and Publications

An Analytical Method for Detecting Toxic Metal Cations Using Cyclotriveratrylene Derivative Capped Gold Nanoparticles, Zachary R. Osner, Richard C. Holz, Daniel P. Becker
Chemistry Faculty Research and Publications

Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand, Nishantha Kumara Kalutharage, Chae S. Yi
Chemistry Faculty Research and Publications

Di- and Trinuclear Mixed-Valence Copper Amidinate Complexes from Reduction of Iodine, Andrew C. Lane, Charles L. Barnes, William E. Antholine, Denan Wang, Adam T. Fiedler, Justin R. Walensky
Chemistry Faculty Research and Publications

Inhibition of the dapE-Encoded N-Succinyl- ʟ, ʟ-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by ʟ-Captopril, Anna Starus, Boguslaw Nocek, Brian Bennett, James A. Larrabee, Daniel L. Shaw, Wisath Sae-Lee, Marie T. Russo, Danuta M. Gillner, Magdalena Makowska-Grzyska, Andzrej Joachimiak, Richard C. Holz
Physics Faculty Research and Publications

Identification of inhibitors that target dual-specificity phosphatase 5 provide new insights into the binding requirements for the two phosphate pockets, Terrence S. Neumann, Elise A. Span, Kelsey S. Kalous, Robert D. Bongard, Adam Gastonguay, Michael A. Lepley, Raman G. Kutty, Jaladhi Nayak, Chris Bohl, Rachel G. Lange, Majher I. Sarker, Marat R. Talipov, Rajendra Rathore, Ramani Ramchandran, Daniel S. Sem
Chemistry Faculty Research and Publications

Towards A Global Model of Spin-Orbit Coupling in The Halocarbenes, Silver Nyambo, Cyrus Karshenas, Scott Reid, Phalgun Lolur, Richard Dawes
Chemistry Faculty Research and Publications

Analyzing the Catalytic Role of Active Site Residues in the Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1, Salette Martinez, Rui Wu, Karoline Krzywda, Veronika Opalka, Hei Chan, Dali Liu, Richard C. Holz
Chemistry Faculty Research and Publications

Crystal structure of cis-2-(2-carboxycyclopropyl)-glycine (CCG-III) monohydrate, Sergey V. Lindeman, Nathaniel J. Wallock, William A. Donaldson
Chemistry Faculty Research and Publications

Generation of Molecular Complexity from Cyclooctatetraene: Preparation of Aminobicyclo[5.1.0]octitols, Mohamed F. El-Mansy, Matthew Flister, Sergey Lindeman, Kelsey S. Kalous, Daniel S. Sem, William Donaldson
Chemistry Faculty Research and Publications

Discovery of Bisamide-heterocycles as Inhibitors of Scavenger Receptor BI (SR-BI)-mediated Lipid Uptake, Chris Dockendorff, Patrick W. Faloon, Andrew Germain, Miao Yu, Willmen Youngsaye, Partha P. Nag, Melissa Bennion, Marsha Penman, Thomas J.F. Nieland, Sivaraman Dandapani, José R. Perez, Benito Munoz, Michelle A. Palmer, Stuart L. Schreiber, Monty Krieger
Chemistry Faculty Research and Publications

Visible and Infrared Spectroelectrochemistry of Zinc and Manganese Porphinones: Metal vs. Porphyrin Reduction, Florentina Tutunea, Abderrahman Atifi, Michael D. Ryan
Chemistry Faculty Research and Publications

Benzo-fused Lactams from a Diversity-oriented Synthesis (DOS) Library as Inhibitors of Scavenger Receptor BI (SR-BI)-mediated Lipid Uptake, Chris Dockendorff, Patrick W. Faloon, Jun Pu, Miao Yu, Stephen Johnston, Melissa Bennion, Marsha Penman, Thomas J.F. Nieland, Sivaraman Dandapani, José R. Perez, Benito Munoz, Michelle A. Palmer, Stuart L. Schreiber, Monty Krieger
Chemistry Faculty Research and Publications

Mixed Quantum/Classical Approach for Description of Molecular Collisions in Astrophysical Environments, Alexander Semenov, Dmitri Babikov
Chemistry Faculty Research and Publications

Hybrid Computational Toxicology Models for Regulatory Risk Assessment, Prachi Pradeep
Dissertations (1934 -)

Synthetic and Mechanistic Studies of Ruthenium Catalyzed C-C, C-N and C-O Bond Activation Reactions, Nishantha Kumara Kalutharage
Dissertations (1934 -)