The Chemistry Faculty Research and Publications Series is comprised of books and articles published by Marquette University's chemistry faculty.
Submissions from 2020
Challenges Facing Young Scientists in Academia and Industry in the United States from the Lens of a Millennial Academic, Joseph R. Clark
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, and Adam T. Fiedler
Route Exploration and Synthesis of The Reported Pyridone-Based PDI Inhibitor STK076545, Eric Greve, Sergey Lindeman, Christina Scartelli, Lin Lin, Robert Flaumenhaft, and Chris Dockendorff
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, and Adam T. Fiedler
Electron Ratchets: State of the Field and Future Challenges, Bryan Lau and Ofer Kedem
Adiabatic Trajectory Approximation within the Framework of Mixed Quantum/Classical Theory, Bikramaditya Mandal, Alexander Semenov, and Dmitri Babikov
Modified Synthesis of the Peptidomimetic Natriuretic Peptide Receptor-C Antagonist M372049, Jacob Porter, Sergey V. Lindeman, and Chris Dockendorff
Copper-Catalyzed Formal Transfer Hydrogenation/Deuteration of Aryl Alkynes, Samantha E. Sloane, Albert Reyes, Zoua Pa Vang, Lingzi Li, Kiera T. Behlow, and Joseph R. Clark
Solving Complex Eigenvalue Problems on A Quantum Annealer with Applications to Quantum Scattering Resonances, Alexander Teplukhin, Brian K. Kendrick, and Dmitri Babikov
The Electronic Properties of Ni(PNN) Pincer Complexes Modulate Activity in Catalytic Hydrodehalogenation Reactions, Denan Wang and James R. Gardinier
Silver(I) and Copper(I) Complexes of Semi‐Bulky Nitrogen‐Confused C‐Scorpionates, Denan Wang, Fathiya Jahan, Kristin J. Meise, Sergey Lindeman, and James R. Gardinier
Submissions from 2019
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, and Scott A. Reid
Synthesis of Quinazoline and Quinazolinone Derivatives via Ligand-Promoted Ruthenium-Catalyzed Dehydrogenative and Deaminative Coupling Reaction of 2-Aminophenyl Ketones and 2-Aminobenzamides with Amines, Pandula T. Kirinde Arachchige and Chae S. Yi
Proton-Coupled Reduction of An Iron Nitrosyl Porphyrin in The Protic Ionic Liquid Nanodomain, Abderrahman Atifi, Piotr J. Mak, and Michael D. Ryan
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, and Martin St. Maurice
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, and Adam T. Fiedler
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
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, and Sergey V. Lindeman
The Ratio of The Number of States in Asymmetric and Symmetric Ozone Molecules Deviates from The Statistical Value Of 2, Igor Gayday, Alexander Teplukhin, and Dmitri Babikov
Composition Effect on the Carrier Dynamics and Catalytic Performance of CuInS2/ZnS Quantum Dots for Light Driven Hydrogen Generation, Wenhui Hu, Sizhuo Yang, and Jier Huang
Cooperative Transport in a Multi-Particle, Multi-Dimensional Flashing Ratchet, Ofer Kedem and Emily A. Weiss
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, and Emily A. Weiss
Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O2, Praveen Kumar, Sergey V. Lindeman, and Adam T. Fiedler
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, and Xiaoyi Zhang
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
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, and Scott A. Reid
Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pKa Values of Thiols, Saber Mirzaei, Maxim Vadimovich Ivanov, and Qadir K. Timerghazin
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, and Jier Huang
Proton Transfer versus Hydrogen Bonding in a Reduced Iron Porphyrin Nitrosyl Complex, Md. Hafizur Rahman, Yilin Liu, and Michael D. Ryan
Investigation of Solvation and Solvent Coordination Effects in Iron Porphyrin Nitrosyls by Infrared Spectroelectrochemistry and DFT Calculations, Md. Hafizur Rahman and Michael D. Ryan
β-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists, Ricardo Rosas Jr., Xi-Ping Huang, Bryan L. Roth, and Chris Dockendorff
Calculation of Molecular Vibrational Spectra on a Quantum Annealer, Alexander Teplukhin, Brian K. Kendrick, and Dmitri Babikov
Synthesis of Simplified Azasordarin Analogs as Potential Antifungal Agents, Yibiao Wu and Chris Dockendorff
Submissions from 2018
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, and Chae S. Yi
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, and Anne Zehnacker-Rentien
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
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, and Rajendra Rathore
Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials, Maxim Vadimovich Ivanov, Scott A. Reid, and Rajendra Rathore
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, and Scott A. Reid
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
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, and Scott A. Reid
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
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, and Chae S. Yi
Donor–Acceptor Fluorophores for Energy-Transfer-Mediated Photocatalysis, Jingzhi Lu, Brian Pattengale, Qiuhua Liu, Sizhuo Yang, Wenxiong Shi, Shuzhou Li, Jier Huang, and Jian Zhang
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
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, and Scott A. Reid
Photoinduced interfacial charge separation dynamics in zeolitic imidazolate framework, Brian Pattengale and Jier Huang
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, and Jier Huang
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, and William A. Donaldson
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
An Electron‐Rich Calix[4]arene‐Based Receptor with Unprecedented Binding Affinity for Nitric Oxide, Denan Wang, Lena V. Ivanova, Maxim V. Ivanov, Saber Mirzaei, Qadir K. Timerghazin, Scott A. Reid, and Rajendra Rathore
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, and Rajendra Rathore
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, and Scott A. Reid
Synthesis of a Novel Bicyclic Scaffold Inspired by the Antifungal Natural Product Sordarin, Yibiao Wu and Chris Dockendorff
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, and Jier Huang
2D Covalent Organic Frameworks as Intrinsic Photocatalysts for Visible Light-Driven COMsub>2 Reduction, Sizhuo Yang, Wenhui Hu, Xin Zhang, Peilei He, Brian Pattengale, Cunming Liu, Melissa Cendejas, Ive Hermans, Xiaoyi Zhang, Jian Zhang, and Jier Huang
NMR resonance assignments of RNase P protein from Thermotoga maritima, Danyun Zeng, Benjamin P. Brown, Markus W. Voehler, Sheng Cai, and Nicholas J. Reiter
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
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