Submissions from 2019
Hydrogen Activation and Hydrogenolysis Facilitated by Late-Transition-Metal-Aluminum Heterobimetallic Complexes, R. Malcolm Charles, Timothy W. Yokley, Nathan D. Schley, Nathan J. Deyonker, and Timothy P. Brewster
Theoretical study of the low-lying electronic states of iron hydride cation, Qianyi Cheng and Nathan J. Deyonker
Exploring the Folding Mechanism of Small Proteins GB1 and LB1, Qianyi Cheng, InSuk Joung, Juyong Lee, Kunihiro Kuwajima, and Jooyoung Lee
Adhesion of electrosprayed chitosan coatings using silane surface chemistry, Ewe Jiun Chng, Andrew Blass Watson, Vikram Suresh, Tomoko Fujiwara, Joel D. Bumgardner, and Ranganathan Gopalakrishnan
On the formation of phosphorous polycyclic aromatics hydrocarbons (PAPHs) in astrophysical environments, Marco Fioroni, Robert E. Savage, and Nathan J. Deyonker
Effect of the Protonation Level and Ionic Strength on the Structure of Linear Polyethyleneimine, Caleb E. Gallops, Chang Yu, Jesse D. Ziebarth, and Yongmei Wang
Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster, Lauren N. Koulias, David B. Williams-Young, Daniel R. Nascimento, A. Eugene Deprince, and Xiaosong Li
Reference Electrodes with Ionic Liquid Salt Bridge: When Will These Innovative Novel Reference Electrodes Gain Broad Acceptance?, Erno Lindner, Marcin Guzinski, Taskia A. Khan, and Bradford D. Pendley
Characterization and optimization of PLA stereocomplexed hydrogels for local gene delivery systems, Kwei Yu Liu, Daniel G. Abebe, Elizabeth Rachel Wiley, and Tomoko Fujiwara
Synthesis and characterization of rhodium-aluminum heterobimetallic complexes tethered by a 1,3-bis(diphenylphosphino)-2-propanoxy group, Zhongjing Li, Timothy W. Yokley, Sheila L. Tran, Jie Zong, Nathan D. Schley, and Timothy P. Brewster
Elucidation of the photoaquation reaction mechanism in ferrous hexacyanide using synchrotron x-rays with sub-pulse-duration sensitivity, Anne Marie March, Gilles Doumy, Amity Andersen, Andre Al Haddad, Yoshiaki Kumagai, Ming Feng Tu, Joohee Bang, and Christoph Bostedt
Magnetic Stimulus Responsive DDS Based on Chitosan Microbeads Embedded with Magnetic Nanoparticles, A. Mohapatra, M. A. Harris, D. A. Levine, M. Ghimire, B. I. Morshed, J. A. Jennings, J. Bumgardner, and W. O. Haggard
Optical control of sphingosine-1-phosphate formation and function, Johannes Morstein, Rose Z. Hill, Alexander J.E. Novak, Suihan Feng, Derek D. Norman, Prashant C. Donthamsetti, James A. Frank, and Takeshi Harayama
Electrospun chitosan guided bone regeneration membranes for delivery of simvastatin to stimulate osteogenesis, Vishnu Priya Murali, Fernanda D. Guerra, Tomoko Fujiwara, and Joel D. Bumgardner
A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopy, Daniel R. Nascimento and A. Eugene Deprince
Quantifying Inter-Residue Contacts through Interaction Energies, Thomas J. Summers, Baty P. Daniel, Qianyi Cheng, and Nathan J. Deyonker
Photodynamics of [FeFe]-Hydrogenase Model Compounds with Bidentate Heterocyclic Ligands, Wyatt Thornley, Sarah A. Wirick, Maximilian Riedel-Topper, Nathan J. Deyonker, Thomas E. Bitterwolf, Christopher J. Stromberg, and Edwin J. Heilweil
Catalytic H 2 Evolution by a Mononuclear Cobalt Complex with a Macrocyclic Pentadentate Ligand, Ping Wang, Guangchao Liang, Chanteal Laquita Boyd, Charles Edwin Webster, and Xuan Zhao
Molecular structure of thermostable and zinc-ion-binding γ-class carbonic anhydrases, Wenming Wang, Yao Zhang, Lele Wang, Qi Jing, Xiaolu Wang, Xiaoli Xi, Xuan Zhao, and Hongfei Wang
Design, synthesis, and preliminary bioactivity evaluation of 2,7-substituted carbazole derivatives as potent autotaxin inhibitors and antitumor agents, Wenming Wang, Fengmei Zhao, Yarui Zhao, Weiwei Pan, Pengcheng Cao, Lintao Wu, Zhijun Wang, and Xuan Zhao
Improvement of surface adhesion of electrosprayed chitosan coatings to titanium substrates, A. Blass Watson, Ranga Gopalakrishnan, Tomoko Fujiwara, and Joel D. Bumgardner
A quantitative study of vapor diffusions for crystallizations: Rates and solvent parameter changes, Michael J. Wen, Matthew T. Jackson, and Charles M. Garner
Sodium atom beam collisions with the liquid glycerol surface: Mass effects of deuteration, Justin P. Wiens and William A. Alexander
A benchmark study of loop modeling methods applied to G protein-coupled receptors, Lee H. Wink, Daniel L. Baker, Judith A. Cole, and Abby L. Parrill
Submissions from 2018
Particle Beam Scattering From the Vacuum-Liquid Interface, William A. Alexander
Generation, clearance, toxicity, and monitoring possibilities of unaccounted uremic toxins for improved dialysis prescriptions, James G. Atherton, David S. Hains, John Bissler, Bradford D. Pendley, and Erno Lindner
Synthesis and Characterization of Heterobimetallic Iridium-Aluminum and Rhodium-Aluminum Complexes, Timothy P. Brewster, Tan H. Nguyen, Zhongjing Li, William T. Eckenhoff, Nathan D. Schley, and Nathan J. Deyonker
Propylene Oxide Formation on a Silica Surface with Peroxo Defects: Implications in Astrochemistry, Marco Fioroni, A. Kelly Tartera, and Nathan J. Deyonker
Time-resolved photoacoustic calorimetry of organometallic ligand substitution in alkane solvents: Molybdenum-alkane σ bond controls fast ligand addition to molybdenum pentacarbonyl, Shannon M. Gittermann and Theodore J. Burkey
Voltammetric Determination of Diffusion Coefficients in Polymer Membranes: Guidelines to Minimize Errors, Bradley P. Hambly, James B. Sheppard, Bradford D. Pendley, and Erno Lindner
Controllable self-assembled plasmonic vesicle-based three-dimensional SERS platform for picomolar detection of hydrophobic contaminants, Xiaolin Huang, Yijing Liu, Jim Barr, Jibin Song, Zhimei He, Yongmei Wang, Zhihong Nie, and Yonghua Xiong
Ratiometric optical nanoprobes enable accurate molecular detection and imaging, Xiaolin Huang, Jibin Song, Bryant C. Yung, Xiaohua Huang, Yonghua Xiong, and Xiaoyuan Chen
Synthesis, crystal structures, and characterization of the complexes of the bulky ligand 2,6-bis-(3′,5′-diphenylpyrazolyl)pyridine with ruthenium, rhodium, and palladium, Matthew T. Jackson, Nathan C. Duncan, Barry Rich, Maggie E. Jones, Kimberly A. Brien, Michael Spiegel, Patrick J. Farmer, and Kevin K. Klausmeyer
Azulene-Modified Polysiloxanes as Gas Chromatographic Stationary Phases: Comparison of the Separatory Properties of Azulene and Naphthalene, Matthew T. Jackson, Jason E. Schaffer, Lauren R. Freeman, and Charles M. Garner
First row metal complexes of the hindered tridentate ligand 2,6-bis-(3′,5′-diphenylpyrazolyl)pyridine, Matthew T. Jackson, Michael Spiegel, Patrick J. Farmer, Nathan C. Duncan, Barry Rich, Maggie E. Jones, Kimberly A. Brien, and Kevin K. Klausmeyer
Differences in Electrochemically Deposited PEDOT(PSS) Films on Au and Pt Substrate Electrodes: A Quartz Crystal Microbalance Study, Jennifer M. Jarvis, Marcin Guzinski, Felio Perez, Bradford D. Pendley, and Ernő Lindner
Molecular detection and analysis of exosomes using surface-enhanced Raman scattering gold nanorods and a miniaturized device, Elyahb Allie Kwizera, Ryan O'Connor, Vojtech Vinduska, Melody Williams, Elizabeth R. Butch, Scott E. Snyder, Xiang Chen, and Xiaohua Huang
Dynamic characteristics of ion selective electrodes, Ernö Lindner, Klára Tóth, and Ernö Pungor
Magnetic stimulus responsive vancomycin drug delivery system based on chitosan microbeads embedded with magnetic nanoparticles, Ankita Mohapatra, Michael A. Harris, David LeVine, Madhav Ghimire, Jessica A. Jennings, Bashir I. Morshed, Warren O. Haggard, and Joel D. Bumgardner
Inkjet Printed Parallel Plate Capacitors Using PVP Polymer Dielectric Ink on Flexible Polyimide Substrates, Ankita Mohapatra, K. Sayema Tuli, Kwei Yu Liu, Tomoko Fujiwara, W. Robert Hewitt, Frank Andrasik, and I. Bashir Morshed
Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory, Daniel R. Nascimento and A. Eugene Deprince
Designing Medical, Point of Care Sensors to Aid Health Care Providers in Diagnosing and Managing Diseases: Addressing Pertinent Issues and Some Contemporary Opportunities, Bradford D. Pendley and Erno Lindner
Precision Synthesis of Polylactide-Based Thermoresponsive Block Copolymers via Successive Living Cationic Polymerization of Vinyl Ether and Ring-Opening Polymerization of Lactide, Yukiko Seki, Arihiro Kanazawa, Shokyoku Kanaoka, Tomoko Fujiwara, and Sadahito Aoshima
Correction to: Synthesis and Crystal Structure of an Enantiomerically Pure, Internally Coordinated Alkylchloroborane. the Boron-Centered Anomeric Affect (Journal of the American Chemical Society (1985) 107 (7167-7172) DOI: 10.1021/ja00310a067 ), Christopher S. Shiner, Charles M. Garner, and R. Curtis Haltiwanger
P si 4N um P y: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development, Daniel G.A. Smith, Lori A. Burns, Dominic A. Sirianni, Daniel R. Nascimento, Ashutosh Kumar, Andrew M. James, Jeffrey B. Schriber, and Tianyuan Zhang
A transition state "trapped"? QM-cluster models of engineered threonyl-tRNA synthetase, Thomas J. Summers, Qianyi Cheng, and Nathan J. Deyonker
Raman and Infrared Studies of Platinum-Based Drugs: Cisplatin, Carboplatin, Oxaliplatin, Nedaplatin, and Heptaplatin, Marjorie Torres, Sidrah Khan, Michael Duplanty, Hannah C. Lozano, Tyree J. Morris, Trang Nguyen, Yuri V. Rostovtsev, and Nathan J. Deyonker
Effect of morphology on anion conductive properties in self-assembled polystyrene-based copolymer membranes, Sayema K. Tuli, Asa L. Roy, Ramez A. Elgammal, Mengkun Tian, Thomas A. Zawodzinski, and Tomoko Fujiwara
Polystyrene-based anion exchange membranes via click chemistry: improved properties and AEM performance, Sayema K. Tuli, Asa L. Roy, Ramez A. Elgammal, Thomas A. Zawodzinski, and Tomoko Fujiwara
Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands, Ping Wang, Guangchao Liang, M. Ramana Reddy, Melissa Long, Kandria Driskill, Christian Lyons, Bruno Donnadieu, and John C. Bollinger
Theory and principles of interaction chromatography, Yongmei Wang
Preface, Yongmei Wang, Wei Gao, Sara Orski, and X. Michael Liu
The structures, spectroscopic properties, and photodynamic reactions of three [RuCl(QN)NO]- complexes (HQN = 8-hydroxyquinoline and its derivatives) as potential NO-donating drugs, Leilei Xie, Lifang Liu, Wenming Wang, Zhiou Ma, Liqun Xu, Xuan Zhao, and Hongfei Wang
A synthetic disaccharide derivative of diphyllin, TAARD, activates human natural killer cells to Secrete interferon-Gamma via Toll-Like receptor-mediated NF-κB and STAT3 signaling pathways, Long Yi, Luxi Chen, Xiaofeng Guo, Ting Lu, Haixia Wang, Xiaotian Ji, Jianying Zhang, and Yulin Ren
Submissions from 2017
Performance of a rigid rod statistical mechanical treatment to predict monolayer ordering: a study of chain interactions and comparison with molecular dynamics simulation, William A. Alexander
Highly Potent Non-Carboxylic Acid Autotaxin Inhibitors Reduce Melanoma Metastasis and Chemotherapeutic Resistance of Breast Cancer Stem Cells, Souvik Banerjee, Derek D. Norman, Sue Chin Lee, Abby L. Parrill, Truc Chi T. Pham, Daniel L. Baker, Gabor J. Tigyi, and Duane D. Miller
Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCH, Qianyi Cheng, Ryan C. Fortenberry, and Nathan J. DeYonker
Gas phase electronic structure of the 3d metal monoacetylides (MCCH, M = Sc. Zn), Shelby D. Dickerson and Nathan J. DeYonker
G protein-coupled receptors: The evolution of structural insight, Samantha B. Gacasan, Daniel L. Baker, and Abby L. Parrill
Effects of sulfonated side chains used in polysulfone based PEMs for VRFB separator, Brandon P. Gindt, Zhijiang Tang, Davita L. Watkins, Daniel G. Abebe, Shizuka Seo, Sayema Tuli, Hossein Ghassemi, and Thomas A. Zawodzinski
Solid-Contact pH Sensor without CO2 Interference with a Superhydrophobic PEDOT-C14 as Solid Contact: The Ultimate "water Layer" Test, Marcin Guzinski, Jennifer M. Jarvis, Paul D'Orazio, Anahita Izadyar, Bradford D. Pendley, and Ernö Lindner
PEDOT(PSS) as Solid Contact for Ion-Selective Electrodes: The Influence of the PEDOT(PSS) Film Thickness on the Equilibration Times, Marcin Guzinski, Jennifer M. Jarvis, Felio Perez, Bradford D. Pendley, Erno Lindner, Roland De Marco, Gaston A. Crespo, and Robert G. Acres
Gold nanorods for diagnostics and photothermal therapy of cancer, Xiaohua Huang and Mostafa A. El-Sayed
Gold nanoparticle based platforms for circulating cancer marker detection, Xiaohua Huang, Ryan O’connor, and Elyahb Allie Kwizera
Synthesis and properties of magnetic-optical core-shell nanoparticles, Elyahb Allie Kwizera, Elise Chaffin, Yongmei Wang, and Xiaohua Huang
Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?, Guangchao Liang, Nathan J. DeYonker, Xuan Zhao, and Charles Edwin Webster
Chitosan microspheres cross-linked with glyoxal for the local delivery of antibiotics, Gregory S. Mcgraw, J. Amber Jennings, Tomoko Fujiwara, Elysia Masters, Warren O. Haggard, and Joel D. Bumgardner
Chitosan microbeads with MNP on printed electrodes for electric stimulus responsive drug delivery, Ankita Mohapatra, Michael A. Harris, Madhav Ghimire, Bashir I. Morshed, Jessica A. Jennings, Warren O. Haggard, Joel D. Bumgardner, and Sanjay R. Mishra
Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory, Daniel R. Nascimento and A. Eugene Deprince
Medical Sensors for the Diagnosis and Management of Disease: The Physician Perspective, Bradford D. Pendley and Erno Lindner
Voltammetric determination of diffusion coefficients in polymer membranes, James B. Sheppard, Bradley Hambly, Bradford Pendley, and Erno Lindner
In vitro and in vivo evaluations of a novel post-electrospinning treatment to improve the fibrous structure of chitosan membranes for guided bone regeneration, Hengjie Su, Kwei Yu Liu, Anastasios Karydis, Daniel G. Abebe, Chaoxi Wu, Kenneth M. Anderson, Najib Ghadri, and Pradeep Adatrow
Photo-induced cytotoxicity, photo-controlled nitric oxide release and DNA/human serum albumin binding of three water-soluble nitrosylruthenium complexes, Liqun Xu, Zhiou Ma, Wenming Wang, Leilei Xie, Lifang Liu, Jiao Liu, Xuan Zhao, and Hongfei Wang
Electro- and Photocatalytic Hydrogen Production by Molecular Cobalt Complexes With Pentadentate Ligands, Xuan Zhao, Ping Wang, and Melissa Long
Structural Comparisons of PEI/DNA and PEI/siRNA Complexes Revealed with Molecular Dynamics Simulations, Jesse D. Ziebarth, Dennis R. Kennetz, Nyles J. Walker, and Yongmei Wang
Submissions from 2016
Biodegradable three-layered micelles and injectable hydrogels, Daniel G. Abebe, Rima Kandil, Teresa Kraus, Maha Elsayed, Tomoko Fujiwara, and Olivia M. Merkel
A method to monitor urinary carbon dioxide in patients with septic shock, James Atherton, King William E., Marcin Guzinski, Artur Jasinski, Bradford Pendley, and Ernő Lindner
Delocalization and Valence Tautomerism in Vanadium Tris(iminosemiquinone) Complexes, Jesper Bendix and Kensha Marie Clark
Capture and detection of circulating tumor cells with magnetic-plasmonic hybrid nanoparticles, Saheel Bhana and Xiaohua Huang
Photosensitizer-loaded gold nanorods for near infrared photodynamic and photothermal cancer therapy, Saheel Bhana, Ryan O'Connor, Jermaine Johnson, Jesse D. Ziebarth, Luke Henderson, and Xiaohua Huang
High Catalytic Efficiency Combined with High Selectivity for the Aldehyde-Water Shift Reaction using (para-cymene)Ruthenium Precatalysts, Timothy P. Brewster, Jonathan M. Goldberg, Jeremy C. Tran, D. Michael Heinekey, and Karen I. Goldberg
Base-Free Iridium-Catalyzed Hydrogenation of Esters and Lactones, Timothy P. Brewster, Nomaan M. Rezayee, Zuzana Culakova, Melanie S. Sanford, and Karen I. Goldberg
Dependence of SERS enhancement on the chemical composition and structure of Ag/Au hybrid nanoparticles, Elise Chaffin, Ryan T. O'Connor, James Barr, Xiaohua Huang, and Yongmei Wang
Synthesis and Reactivity of Low-Coordinate Titanium Synthons Supported by a Reduced Redox-Active Ligand, Kensha Marie Clark
Dipole moments of: Trans - And cis -(4-methylcyclohexyl)methanol (4-MCHM): Obtaining the right conformer for the right reason, Nathan J. DeYonker, Katherine A. Charbonnet, and William A. Alexander
H2 Formation on Cosmic Grain Siliceous Surfaces Grafted with Fe+: A Silsesquioxanes-Based Computational Model, Marco Fioroni and Nathan J. DeYonker
Accuracy of two-particle N -representability conditions for describing different spin states and the singlet-triplet gap in the linear acene series, Jacob Fosso-Tande, Daniel R. Nascimento, and A. Eugene Deprince
Nanoporous polysulfone membranes via a degradable block copolymer precursor for redox flow batteries, B. P. Gindt, D. G. Abebe, Z. J. Tang, M. B. Lindsey, J. Chen, R. A. Elgammal, T. A. Zawodzinski, and T. Fujiwara
Poly(3-octylthiophene) as solid contact for ion-selective electrodes: contradictions and possibilities, Jennifer M. Jarvis, Marcin Guzinski, Bradford D. Pendley, and Ernő Lindner
Size- and Shape-Controlled Synthesis and Properties of Magnetic-Plasmonic Core-Shell Nanoparticles, Elyahb Allie Kwizera, Elise Chaffin, Xiao Shen, Jingyi Chen, Qiang Zou, Zhiming Wu, Zheng Gai, and Saheel Bhana
Calibrating reaction enthalpies: Use of density functional theory and the correlation consistent composite approach in the design of photochromic materials, Roger G. Letterman, Nathan J. DeYonker, Theodore J. Burkey, and Charles Edwin Webster
Folate receptor targeted three-layered micelles and hydrogels for gene delivery to activated macrophages, Mariam Mohammadi, Ying Li, Daniel G. Abebe, Yuran Xie, Rima Kandil, Teresa Kraus, Nardhy Gomez-Lopez, and Tomoko Fujiwara
A Feedback Control Approach to Organic Drug Infusions Using Electrochemical Measurement, Mark H. Myers, Yaqin Li, Francine Kivlehan, Erno Lindner, and Edward Chaum
Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster Theory, Daniel R. Nascimento and A. Eugene DePrince
Structures and spectroscopic properties of three [RuCl(2mqn)2NO] (H2mqn = 2-methyl-8-quinolinol) isomers: An experimental and density functional theoretical study, Huifen Pan, Wenming Wang, Zhiou Ma, Liqun Xu, Zhigang Zhang, Yi Zhao, Xuan Zhao, and Hongfei Wang
Reprint of: "synthetic lipids and their role in defining macromolecular assemblies", Abby L. Parrill
Preface, Abby L. Parrill and Kenny B. Lipkowitz
Reviews in Computational Chemistry, Abby L. Parrill and Kenny B. Lipkowitz
Spectroscopic and Crystallographic Evidence for the Role of a Water-Containing H-Bond Network in Oxidase Activity of an Engineered Myoglobin, Igor D. Petrik, Roman Davydov, Matthew Ross, Xuan Zhao, Brian Hoffman, and Yi Lu
Discovery and synthetic optimization of a novel scaffold for hydrophobic tunnel-targeted autotaxin inhibition, Lauren E. Ragle, Dilip J. Palanisamy, Margaux J. Joe, Rachel S. Stein, Derek D. Norman, Gabor Tigyi, Daniel L. Baker, and Abby L. Parrill
