The Chemistry Faculty Research and Publications Series is comprised of books and articles published by Marquette University's chemistry faculty.
Submissions from 2019
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; and Chris Dockendorff
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, and Chris Dockendorff
Investigation of Solvation and Solvent Coordination Effects in Iron Porphyrin Nitrosyls by Infrared Spectroelectrochemistry and DFT Calculations, Md. Hafizur Rahman and Michael D. Ryan
Synthesis of Simplified Azasordarin Analogs as Potential Antifungal Agents, Yibiao Wu and Chris Dockendorff
Submissions from 2018
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, and Robert Flaumenhaft
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, and Jon T. Sack
Recent progress in the synthesis of six-membered aminocyclitols (2008-2017), William Donaldson
A Synthetic Model of the Nonheme Iron–Superoxo Intermediate of Cysteine Dioxygenase, Anne A. Fischer, Sergey V. Lindeman, and Adam T. Fiedler
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, and Evgueni Kovrigin
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, and Chris Dockendorff
Reaction Chemistry of Silver(I) Trifluoromethanesulfonate Complexes of Nitrogen-Confused C-Scorpionates, James R. Gardinier, Kristin J. Meise, Fathiya Jahan, and Sergey V. Lindeman
Synthesis of a Linear Fragment Containing the C23-C26 Stereocenters of Phorboxazole: A Flexible Molecule with Defined Conformation, Patrick Bernard Greer and William A. Donaldson
Human P450 CYP17A1: Control of Substrate Preference by Asparagine 202, Michael C. Gregory, Piotr J. Mak, Yogan Khatri, James R. Kincaid, and Stephen G. Sligar
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, and Chris Dockendorff
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, and Daniel S. Sem
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, and Daniel P. Becker
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, and Rajendra Rathore
From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization, Maxim V. Ivanov, Denan Wang, and Rajendra Rathore
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, and Scott A. Reid
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, and William A. Donaldson
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, and Rajendra Rathore
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, and Richard C. Holz
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, and Chris Dockendorff
Insight into Solvent Coordination of an Iron Porphyrin Hydroxylamine Complex from Spectroscopy and DFT Calculations, Md. Hafizur Rahman and Michael D. Ryan
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, and Evgenii L. Kovrigin
Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect, Alexander Teplukhin and Dmitri Babikov
Several Levels of Theory for Description of Isotope Effects in Ozone: Effect of Resonance Lifetimes and Channel Couplings, Alexander Teplukhin, Dmitri Babikov, and Igor Gayday
Erratum: “Several Levels of Theory for Description of Isotope Effects in Ozone: Effect of Resonance Lifetimes and Channel Couplings”, Alexander Teplukhin, Igor Gayday, and Dmitri Babikov
Facile Synthesis, Structure, Biocompatibility and Antimicrobial Property of Gold Nanoparticle Composites from Cellulose and Keratin, Chieu D. Tran, Franja Prosenc, and Mladen Franko
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, and Adam T. Fiedler
Synthesis of a Novel Bicyclic Scaffold Inspired by the Antifungal Natural Product Sordarin, Yibiao Wu and Chris Dockendorff
Submissions from 2017
Catalytic Reduction of Bisulfite by Myoglobin/Surfactant Films, Radalla Abdellatty, Md. Hafizur Rahman, and Michael D. Ryan
Altering the Coordination of Iron Porphyrins by Ionic Liquid Nanodomains in Mixed Solvent Systems, Abderrahman Atifi and Michael D. Ryan
Recombination Reactions as a Possible Mechanism of Mass-Independent Fractionation of Sulfur Isotopes in the Archean Atmosphere of Earth, Dmitri Babikov
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, and Daniel S. Sem
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, and Jon T. Sack
Oxygen Activation by Mononuclear Mn, Co, and Ni Centers in Biology and Synthetic Complexes, Adam T. Fiedler and Anne A. Fischer
Spectroscopic and Computational Studies of Reversible O2 Binding by a Cobalt Complex of Relevance to Cysteine Dioxygenase, Anne A. Fischer, Sergey V. Lindeman, and Adam T. Fiedler
The Iron-Type Nitrile Hydratase Activator Protein Is A GTPase, Natalie Gumataotao, Karunagala Pathiranage Wasantha Lankathilaka, Brian Bennett, and Richard C. Holz
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, and Jier Huang
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, and Qadir K. Timerghazin
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, and Rajendra Rathore
Cofacially Arrayed Polyfluorenes: Spontaneous Formation of π-Stacked Assemblies in the Gas Phase, Maxim Vadimovich Ivanov, Neil Reilly, Brandon Uhler, Damian Kokkin, Rajendra Rathore, and Scott A. Reid
Unraveling the Coulombic Forces in Electronically Decoupled Bichromophoric Systems during Two Successive Electron Transfers, Maxim V. Ivanov, Shriya Wadumethrige, Denan Wang, and Rajendra Rathore
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, and Rajendra Rathore
Isolation of a Chiral Anthracene Cation Radical: X-Ray Crystallography and Computational Interrogation of its Racemization, Mikhail V. Ivanov, Khushabu Thakur, Anshul Bhatnagar, and Rajendra Rathore
Toward Reliable Modeling of S-nitrosothiol Chemistry: Structure and Properties of Methyl Thionitrite (CH3SNO), an S-nitrosocysteine Model, Dmitry Khomyakov and Qadir K. Timerghazin
Analysis of Ultrafast Transient Absorption Spectroscopy Data using Integrative Data Analysis Platform: 1. Data Processing, Fitting, and Model Selection, Evgueni Kovriguine
Resolving Three-State Ligand-Binding Mechanisms By Isothermal Titration Calorimetry: A Simulation Study, Evgueni Kovriguine
Bimetallic Cooperativity in Proton Reduction with an Amido‐Bridged Cobalt Catalyst, Kenneth K. Kpogo, Shivnath Mazumder, Denan Wang, H. Bernhard Schlegel, Adam T. Fiedler, and Cláudio N. Verani
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, and Victor N. Khrustalev
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, and Ramani Ramchandran
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, and Pinxian Xi
A Cobalt-Containing Eukaryotic Nitrile Hydratase, Salette Martinez, Xinhang Yang, Brian Bennett, and Richard C. Holz
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, and William Donaldson
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, and Khurrum Shahzad
Implicating the Contributions of Surface and Bulk States on Carrier Trapping and Photocurrent Performance of BiVO4 Photoanodes, Brian Pattengale and Jier Huang
Mechanistic Probes of Zeolitic Imidazolate Framework for Photocatalytic Application, Brian Pattengale, Sizhuo Yang, Sungsik Lee, and Jier Huang
Monitoring Replication Protein A (RPA) Dynamics in Homologous Recombination Through Site-specific Incorporation of Non-canonical Amino Acids, Nilisha Pokhrel, Sofia Origanti, Eric Parker Davenport, Disha M. Gandhi, Kyle Kaniecki, Ryan A. Mehl, Eric C. Greene, Chris Dockendorff, and Edwin Antony
Redox and Spectroscopic Properties of Iron Porphyrin Nitroxyl in the Presence of Weak Acids, Md. Hafizur Rahman and Michael D. Ryan
MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H2O + H2O, Alexander Semenov and Dmitri Babikov
Three Sources of Errors in The Ehrenfest Treatment of Inelastic Scattering and Possible Ways of Resolving Them, Alexander Semenov and Dmitri Babikov
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, and Tamo Fukamizo
Multiple States of Nitrile Hydratase from Rhodococcus equi TG328-2: Structural and Mechanistic Insights from Electron Paramagnetic Resonance and Density Functional Theory Studies, Natalia Stein, Natalie Gumataotao, Natalia Hajnas, Rui Wu, Karunagala Pathiranage Wasantha Lankathilaka, Uwe Bornscheuer, Dali Liu, Adam T. Fiedler, Richard C. Holz, and Brian Bennett
Biocompatible Copper Oxide Nanoparticle Composites from Cellulose and Chitosan: Facile Synthesis, Unique Structure, and Antimicrobial Activity, Chieu D. Tran, James Makuvaza, Erik Munson, and Brian Bennett
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, and Scott Reid
Metallic-Like Bonding in Plasma-Born Silicon Nanocrystals for Nanoscale Bandgap Engineering, Holger Vach, Lena V. Ivanova, Qadir K. Timerghazin, Fatme Jardali, and Ha-Linh Thi Le
Light-Driven Hydrogen Production from Aqueous Solutions Based on a New Dubois-Type Nickel Catalyst, Y. Zhou, S. Yang, and J. Huang
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, and James R. Kincaid
Submissions from 2016
Influence of RTIL Nanodomains on the Voltammetry and Spectroelectrochemistry Of Fullerene C60 in Benzonitrile/Room Temperature Ionic Liquids Mixtures, Abderrahman Atifi and Michael D. Ryan
Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering, Dmitri Babikov and Alexander Semenov
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, and Adam T. Fiedler
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, and William A. Donaldson
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, and James R. Kincaid
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, and Stephen G. Sligar
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, and Adam T. Fiedler
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, and Natalia B. Shustova
Accessing Spin-Crossover Behaviour In Iron(II) Complexes Of N-Confused Scorpionate Ligands, James R. Gardinier, Alexander Richard Treleven, Kristin J. Meise, and Sergey Lindeman
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, and Andrew W. Munro
On Stabilization of Scattering Resonances in Recombination Reaction that Forms Ozone, Mikhail V. Ivanov and Dmitri Babikov
A One-Hole Cu4S Cluster with N2O Reductase Activity: A Structural and Functional Model for CuZ, Brittany J. Johnson, William E. Antholine, Sergey Lindeman, Michael J. Graham, and Neal P. Mankad
Fluorescence of Supported Phospholipid Bilayers Recorded in a Conventional Horizontal-Beam Spectrofluorometer, Elizaveta A. Kovrigina and Evgeni L. Kovrigin
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, and Evgueni Kovrigin
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, and Scott H. Kable
X-ray Structure and Properties of the Ferrous Octaethylporphyrin Nitroxyl Complex, Nagabhushanam Kundakarla, Sergey V. Lindeman, Hafiz Md. Rahman, and Michael D. Ryan
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, and William Donaldson
The Effect of Mo Doping on The Charge Separation Dynamics and Photocurrent Performance of BiVO4 Photoanodes, Brian Pattengale and Jier Huang
Exceptionally Long-Lived Charge Separated State in Zeolitic Imidazolate Framework: Implication for Photocatalytic Applications, Brian Pattengale, Sizhuo Yang, John Ludwig, Zhuangqun Huang, Xiaoyi Zhang, and Jier Huang
A Flipped Classroom Redesign in General Chemistry, Scott Reid
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, and Scott Reid
Inelastic Scattering of Identical Molecules within Framework of the Mixed Quantum/Classical Theory: Application to Rotational Excitations in H2 + H2, Alexander Semenov and Dmitri Babikov
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, and Rajendra Rathore
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 V. Lindeman, and Rajendra Rathore
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, and Rajendra Rathore
Two's Company, Three's a Crowd: Exciton Localization in Cofacially Arrayed Polyfluorenes, Marat R. Talipov, Maxim Vadimovich Ivanov, Scott Reid, and Rajendra Rathore
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, and Rajendra Rathore
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, and Rajendra Rathore
A Full-Dimensional Model of Ozone Forming Reaction: The Absolute Value of the Recombination Rate Coefficient, Its Pressure and Temperature Dependencies, Alexander Teplukhin and Dmitri Babikov
Efficient Method for Calculations of Ro-vibrational States in Triatomic Molecules Near Dissociation Threshold: Application to Ozone, Alexander Teplukhin and Dmitri Babikov
One-Pot Synthesis of Biocompatible Silver Nanoparticle Composites from Cellulose and Keratin: Characterization and Antimicrobial Activity, Chieu D. Tran, Franja Prosenc, Mladen Franko, and Gerald Benzi