Open Access. Powered by Scholars. Published by Universities.®
- Discipline
-
- Engineering (73)
- Materials Science and Engineering (45)
- Physics (29)
- Computer Sciences (15)
- Numerical Analysis and Scientific Computing (14)
-
- Organic Chemistry (9)
- Mechanical Engineering (8)
- Chemical Engineering (7)
- Electrical and Computer Engineering (7)
- Inorganic Chemistry (6)
- Materials Chemistry (6)
- Aerospace Engineering (4)
- Computer Engineering (4)
- Petroleum Engineering (4)
- Physical Chemistry (4)
- Biochemical and Biomolecular Engineering (3)
- Geological Engineering (3)
- Analytical Chemistry (2)
- Biology (2)
- Civil and Environmental Engineering (2)
- Life Sciences (2)
- Nuclear Engineering (2)
- Polymer Chemistry (2)
- Architecture (1)
- Biological Engineering (1)
- Biomedical Engineering and Bioengineering (1)
- Mathematics (1)
- Metallurgy (1)
- Keyword
-
- Iron (12)
- Mössbauer Spectroscopy (12)
- Nuclear Magnetic Resonance (8)
- Quantum chemistry (8)
- Magnetic Moments (7)
-
- Polymers (7)
- Potential energy (7)
- Potential energy surfaces (7)
- Alzheimer's disease (6)
- Isotopes (6)
- Magnetism (6)
- Nanoparticles (6)
- Temperature Dependence (6)
- Article (5)
- Calculations (5)
- Chemistry (5)
- Crystallography (5)
- Magnetic Susceptibility (5)
- Magnetization (5)
- Crystallization (4)
- Deuterium (4)
- Dynamics (4)
- Electronic Structure (4)
- Electronic health records (4)
- Epidemiology (4)
- Glutathione (4)
- Humans (4)
- Hydrogen (4)
- ISM: molecules (4)
- Image Analysis (4)
- Publication Year
Articles 1 - 30 of 574
Full-Text Articles in Chemistry
Advanced Electroanalysis For Electrosynthesis, Monica Brachi, Wassim El Housseini, Kevin Beaver, Rohit Jadhav, Ashwini Dantanarayana, Dylan G. Boucher, Shelley D. Minteer
Advanced Electroanalysis For Electrosynthesis, Monica Brachi, Wassim El Housseini, Kevin Beaver, Rohit Jadhav, Ashwini Dantanarayana, Dylan G. Boucher, Shelley D. Minteer
Chemistry Faculty Research & Creative Works
Electrosynthesis is a Popular, Environmentally Friendly Substitute for Conventional Organic Methods. It Involves using Charge Transfer to Stimulate Chemical Reactions through the Application of a Potential or Current between Two Electrodes. in Addition to Electrode Materials and the Type of Reactor Employed, the Strategies for Controlling Potential and Current Have an Impact on the Yields, Product Distribution, and Reaction Mechanism. in This Review, Recent Advances Related to Electroanalysis Applied in Electrosynthesis Were Discussed. the First Part of This Study Acts as a Guide that Emphasizes the Foundations of Electrosynthesis. These Essentials Include Instrumentation, Electrode Selection, Cell Design, and Electrosynthesis Methodologies. …
Chiral Recognition Of Chiral (Hetero)Cyclic Derivatives Probed By Tetraaza Macrocyclic Chiral Solvating Agents Via ¹H Nmr Spectroscopy, Yu Wang, Hongmei Zhao, Chunxia Yang, Lixia Fang, Li Zheng, Hehua Lv, Pericles Stavropoulos, Lin Ai, Jiaxin Zhang
Chiral Recognition Of Chiral (Hetero)Cyclic Derivatives Probed By Tetraaza Macrocyclic Chiral Solvating Agents Via ¹H Nmr Spectroscopy, Yu Wang, Hongmei Zhao, Chunxia Yang, Lixia Fang, Li Zheng, Hehua Lv, Pericles Stavropoulos, Lin Ai, Jiaxin Zhang
Chemistry Faculty Research & Creative Works
In the Field of Chiral Recognition, Chiral Cyclic Organic Compounds, Especially Heterocyclic Organic Compounds, Have Attracted Little Attention and Have Been Rarely Studied as Chiral Substrates by Means of 1H NMR Spectroscopy. in This Paper, Enantiomers of Thiohydantoin Derivatives, Representing Typical Five-Membered N,N-Heterocycles, Have Been Synthesized and Utilized for Assignment of Absolute Configuration and Analysis of Enantiomeric Excess. All Enantiomers Have Been Successfully Differentiated with the Assistance of Novel Tetraaza Macrocyclic Chiral Solvating Agents (TAMCSAs) by 1H NMR Spectroscopy. Surprisingly, Unprecedented Nonequivalent Chemical Shift Values (Up to 2.052 Ppm) of the NH Proton of Substrates Have Been Observed, a New …
Structure, Dynamics, And Redox Reactivity Of An All-Purpose Flavodoxin, Sharique Khan, Ahmadullah Ansari, Monica Brachi, Debarati Das, Wassim El Housseini, Shelley Minteer, Anne Frances Miller
Structure, Dynamics, And Redox Reactivity Of An All-Purpose Flavodoxin, Sharique Khan, Ahmadullah Ansari, Monica Brachi, Debarati Das, Wassim El Housseini, Shelley Minteer, Anne Frances Miller
Chemistry Faculty Research & Creative Works
The Flavodoxin Of Rhodopseudomonas Palustris CGA009 (Rp9Fld) Supplies Highly Reducing Equivalents To Crucial Enzymes Such As Hydrogenase, Especially When The Organism Is Iron-Restricted. By Acquiring Those Electrons From Photodriven Electron Flow Via The Bifurcating Electron Transfer Flavoprotein, Rp9Fld Provides Solar Power To Vital Metabolic Processes. To Understand Rp9Fld's Ability To Work With Diverse Partners, We Solved Its Crystal Structure. We Observed The Canonical Flavodoxin (Fld) Fold And Features Common To Other Long-Chain Flds But Not All The Surface Loops Thought To Recognize Partner Proteins. Moreover, Some Of The Loops Display Alternative Structures And Dynamics. To Advance Studies Of Protein–protein Associations …
Nitrene-Transfer Chemistry To C-H And C═C Bonds Mediated By Triangular Coinage Metal Platforms Supported By Triply Bridging Pnictogen Elements Sb(Iii) And Bi(Iii), Meenakshi Sharma, Reece M. Fritz, Joseph O. Adebanjo, Zhou Lu, Thomas R. Cundari, Mohammad A. Omary, Amitava Choudhury, Pericles Stavropoulos
Nitrene-Transfer Chemistry To C-H And C═C Bonds Mediated By Triangular Coinage Metal Platforms Supported By Triply Bridging Pnictogen Elements Sb(Iii) And Bi(Iii), Meenakshi Sharma, Reece M. Fritz, Joseph O. Adebanjo, Zhou Lu, Thomas R. Cundari, Mohammad A. Omary, Amitava Choudhury, Pericles Stavropoulos
Chemistry Faculty Research & Creative Works
Tripodal Ligands (TMG3trphen-E) That Feature Heavy Pnictogen Elements (E = Sb(III), Bi(III)) And Tetramethylguanidinyl (TMG) Arms Have Been Explored In Stabilizing Cu(I) And Ag(I) Sites And Facilitating Nitrene-Transfer Chemistry. Compounds [(TMG3trphen-E)M3(Μ-X)3] (M = Cu(I), Ag(I); X = Cl, Br, I) Have Been Generated Upon Extraction Of M3(Μ-X)3 Units From MX Sources, Exhibiting Support Of The Crown-Shaped M3(Μ-X)3 Fragment By M-NTMG Bonds And Triply Bridging E → M3 Interactions. Orbital Interactions Between Cu(I) Sites And NTMG Residues Are More Dominant Than Sb/Bi → Cu3 Donor Interactions Between The Sb 5s Or Bi 6s Orbitals And Admixed Cu 4s/3d Orbitals, With Larger …
Analyzing Biomedical Datasets With Symbolic Tree Adaptive Resonance Theory, Sasha Petrenko, Daniel B. Hier, Mary A. Bone, Tayo Obafemi-Ajayi, Erik J. Timpson, William E. Marsh, Michael Speight, Donald C. Wunsch
Analyzing Biomedical Datasets With Symbolic Tree Adaptive Resonance Theory, Sasha Petrenko, Daniel B. Hier, Mary A. Bone, Tayo Obafemi-Ajayi, Erik J. Timpson, William E. Marsh, Michael Speight, Donald C. Wunsch
Chemistry Faculty Research & Creative Works
Biomedical Datasets Distill Many Mechanisms Of Human Diseases, Linking Diseases To Genes And Phenotypes (Signs And Symptoms Of Disease), Genetic Mutations To Altered Protein Structures, And Altered Proteins To Changes In Molecular Functions And Biological Processes. It Is Desirable To Gain New Insights From These Data, Especially With Regard To The Uncovering Of Hierarchical Structures Relating Disease Variants. However, Analysis To This End Has Proven Difficult Due To The Complexity Of The Connections Between Multi-Categorical Symbolic Data. This Article Proposes Symbolic Tree Adaptive Resonance Theory (START), With Additional Supervised, Dual-Vigilance (DV-START), And Distributed Dual-Vigilance (DDV-START) Formulations, For The Clustering Of …
Electrocatalytic Asymmetric Nozaki-Hiyama-Kishi Decarboxylative Coupling: Scope, Applications, And Mechanism, Yang Gao, Baiyang Jiang, Nathan C. Friede, Arianne C. Hunter, Dylan G. Boucher, Shelley D. Minteer, Matthew S. Sigman, Sarah E. Reisman, Phil S. Baran
Electrocatalytic Asymmetric Nozaki-Hiyama-Kishi Decarboxylative Coupling: Scope, Applications, And Mechanism, Yang Gao, Baiyang Jiang, Nathan C. Friede, Arianne C. Hunter, Dylan G. Boucher, Shelley D. Minteer, Matthew S. Sigman, Sarah E. Reisman, Phil S. Baran
Chemistry Faculty Research & Creative Works
The first general enantioselective alkyl-Nozaki-Hiyama-Kishi (NHK) coupling reactions are disclosed herein by employing a Cr-electrocatalytic decarboxylative approach. Using easily accessible aliphatic carboxylic acids (via redox-active esters) as alkyl nucleophile synthons, in combination with aldehydes and enabling additives, chiral secondary alcohols are produced in a good yield with high enantioselectivity under mild reductive electrolysis. This reaction, which cannot be mimicked using stoichiometric metal or organic reductants, tolerates a broad range of functional groups and is successfully applied to dramatically simplify the synthesis of multiple medicinally relevant structures and natural products. Mechanistic studies revealed that this asymmetric alkyl e-NHK reaction was enabled …
Papain-Catalyzed Synthesis Of Oligolysine In Low-Water Organic Reaction Media, Lakshmi Priya Ravikrishna, Krishnamurthi Tamilarasan, Vairamani Mariappanadar, Shubhender Kapila, Mathur Rajesh
Papain-Catalyzed Synthesis Of Oligolysine In Low-Water Organic Reaction Media, Lakshmi Priya Ravikrishna, Krishnamurthi Tamilarasan, Vairamani Mariappanadar, Shubhender Kapila, Mathur Rajesh
Chemistry Faculty Research & Creative Works
Oligopeptides of l-lysine have the potential for applications in various scientific and technical areas. The number of residues in polycationic compounds such as oligolysine is also reported to have an effect on its biological properties. Hence, there is a necessity for developing efficient oligolysine synthesis methods where the oligopeptide dispersity can be tailored, along with optimum yield values. The ability of proteases to reverse their proteolytic activity to synthesize peptides has been reported in the literature. However, protease-catalyzed synthesis of oligopeptides of basic amino acids such as lysine in aqueous buffers is hindered by unfavorable thermodynamics. In this work, a …
Mesoporous Re0.5ce0.5o2-X Fluorite Electrocatalysts For The Oxygen Evolution Reaction, Sreya Paladugu, Ibrahim Munkaila Abdullahi, Harish Singh, Sam Spinuzzi, Manashi Nath, Katharine Page
Mesoporous Re0.5ce0.5o2-X Fluorite Electrocatalysts For The Oxygen Evolution Reaction, Sreya Paladugu, Ibrahim Munkaila Abdullahi, Harish Singh, Sam Spinuzzi, Manashi Nath, Katharine Page
Chemistry Faculty Research & Creative Works
Developing highly active and stable electrocatalysts for the oxygen evolution reaction (OER) is key to improving the efficiency and practical application of various sustainable energy technologies including water electrolysis, CO2 reduction, and metal air batteries. Here, we use evaporation-induced self-assembly (EISA) to synthesize highly porous fluorite nanocatalysts with a high surface area. In this study, we demonstrate that a 50% rare-earth cation substitution for Ce in the CeO2 fluorite lattice improves the OER activity and stability by introducing oxygen vacancies into the host lattice, which results in a decrease in the adsorption energy of the OH* intermediate in …
Co2 Uptake By Microporous Carbon Aerogels Derived From Polybenzoxazine And Analogous All-Nitrogen Polybenzodiazine Aerogels, Vaibhav A. Edlabadkar, Rushi U. Soni, A. B.M.Shaheen Ud Doulah, Stephen Y. Owusu, Samuel Hackett, Joshua M. Bartels, Nicholas Leventis, Chariklia Sotiriou-Leventis
Co2 Uptake By Microporous Carbon Aerogels Derived From Polybenzoxazine And Analogous All-Nitrogen Polybenzodiazine Aerogels, Vaibhav A. Edlabadkar, Rushi U. Soni, A. B.M.Shaheen Ud Doulah, Stephen Y. Owusu, Samuel Hackett, Joshua M. Bartels, Nicholas Leventis, Chariklia Sotiriou-Leventis
Chemistry Faculty Research & Creative Works
The rapid rise of carbon dioxide in the atmosphere contributes to global warming and ocean acidification. Carbon capture is considered essential for keeping the atmospheric CO2 levels from rising further. This work addresses the question of whether nitrogen or oxygen lining of the surfaces of carbon-based CO2 absorbers is more efficient for CO2 capture. Polybenzodiazine (PBDAZ) aerogels are carbon-aerogel precursors that were prepared recently (2023) as all-nitrogen structural analogues to well-known polybenzoxazine (PBO) aerogels. However, owing to the fact that the carbonization chemistries of both PBO and PBDAZ aerogels require a prior oxidative aromatization step in air …
Pisa Printing Microneedles With Controllable Aqueous Dissolution Kinetics, Aaron Priester, Jimmy Yeng, Yuwei Zhang, Krista Hilmas, Risheng Wang, Anthony J. Convertine
Pisa Printing Microneedles With Controllable Aqueous Dissolution Kinetics, Aaron Priester, Jimmy Yeng, Yuwei Zhang, Krista Hilmas, Risheng Wang, Anthony J. Convertine
Chemistry Faculty Research & Creative Works
This study focused on the development of high-resolution polymeric structures using polymer-induced self-assembly (PISA) printing with commercially available digital light-processing (DLP) printers. Significantly, soluble solids could be 3D-printed using this methodology with controllable aqueous dissolution rates. This was achieved using a highly branched macrochain transfer agent (macro-CTA) containing multiple covalently attached CTA groups. In this work, the use of acrylamide as the self-assembling monomer in isopropyl alcohol was explored with the addition of N-(butoxymethyl)acrylamide to modulate the aqueous dissolution kinetics. PISA-printed microneedles were observed to have feature sizes as small as 27 μm, which was close to the resolution limit …
Quaternary Rare-Earth Oxyselenides Re4ga2se7o2 (Re = Pr, Nd) With Trigonal Bipyramidal Gase5 Units: Evaluation Of Optical, Thermoelectric, And Electrocatalytic Properties, Vidyanshu Mishra, Ibrahim Munkaila Abdullahi, Dundappa Mumbaraddi, Mohammed Jomaa, Louis Guérin, Manashi Nath, Arthur Mar
Quaternary Rare-Earth Oxyselenides Re4ga2se7o2 (Re = Pr, Nd) With Trigonal Bipyramidal Gase5 Units: Evaluation Of Optical, Thermoelectric, And Electrocatalytic Properties, Vidyanshu Mishra, Ibrahim Munkaila Abdullahi, Dundappa Mumbaraddi, Mohammed Jomaa, Louis Guérin, Manashi Nath, Arthur Mar
Chemistry Faculty Research & Creative Works
Phase-pure samples and single crystals of the rare-earth oxyselenides RE4Ga2Se7O2 (RE = Pr, Nd) were prepared by reactions at 950 °C. They adopt a new structure type (orthorhombic, space group Pnma, a = 11.721(2)-11.683(2) Å, b = 3.9882(7)-3.9667(7) Å, c = 29.644(5)-29.581(5) Å, Z = 4) consisting of RESe6 trigonal prisms, GaSe4 tetrahedra, and GaSe5 trigonal bipyramids linked to form corrugated layers between which strips of edge-sharing RE4O tetrahedra are inserted. The bonding character is mostly ionic within RE-O and RE-Se blocks but mostly covalent with Ga-Se blocks, …
Rotational Spectrum And Ring Structures Of Silacyclohex-2-Ene And 1,1-Difluorosilacyclohex-2-Ene, Nicole T. Moon, Amanda J. Duerden, Thomas M.C. Mcfadden, Nathan A. Seifert, Gamil A. Guirgis, Garry S. Grubbs
Rotational Spectrum And Ring Structures Of Silacyclohex-2-Ene And 1,1-Difluorosilacyclohex-2-Ene, Nicole T. Moon, Amanda J. Duerden, Thomas M.C. Mcfadden, Nathan A. Seifert, Gamil A. Guirgis, Garry S. Grubbs
Chemistry Faculty Research & Creative Works
Silacyclohex-2-ene and 1,1-difluorosilacyclohex-2-ene have been synthesized, and the chirped-pulse, Fourier-transform microwave spectra of each have been observed and analyzed from 4.9 to 23.1 GHz. Quantum chemical calculations have been performed at the B3LYP-D3BJ/Def2TZVP level of theory and predict μa to be the largest dipole moment component with a significantly larger value in this component for 1,1-difluorosilacyclohex-2-ene. In accordance with this prediction, the spectra were predominantly a-type with the observation of a few b- and c-type transitions. The signal-to-noise ratio was adequate in both spectra to observe 29Si, 30Si, and all singly substituted 13C isotopologues in natural …
Tailored (La0.2pr0.2nd0.2tb0.2dy0.2)2ce2o7 As A Highly Active And Stable Nanocatalyst For The Oxygen Evolution Reaction, Sreya Paladugu, Ibrahim Munkaila Abdullahi, Palani Raja Jothi, Bo Jiang, Manashi Nath, Katharine Page
Tailored (La0.2pr0.2nd0.2tb0.2dy0.2)2ce2o7 As A Highly Active And Stable Nanocatalyst For The Oxygen Evolution Reaction, Sreya Paladugu, Ibrahim Munkaila Abdullahi, Palani Raja Jothi, Bo Jiang, Manashi Nath, Katharine Page
Chemistry Faculty Research & Creative Works
Designing highly active and robust catalysts for the oxygen evolution reaction is key to improving the overall efficiency of the water splitting reaction. It has been previously demonstrated that evaporation induced self-assembly (EISA) can be used to synthesize highly porous and high surface area cerate-based fluorite nano catalysts, and that substitution of Ce with 50% rare earth (RE) cations significantly improves electrocatalyst activity. Herein, the defect structure of the best performing nano catalyst in the series are further explored, Nd2Ce2O7, with a combination of neutron diffraction and neutron pair distribution function analysis. It is …
Perfect Polar Alignment Of Parallel Beloamphiphile Layers: Improved Structural Design Bias Realized In Ferroelectric Crystals Of The Novel “Methoxyphenyl Series Of Acetophenone Azines”, Harmeet Bhoday, Nathan Knotts, Rainer Glaser
Perfect Polar Alignment Of Parallel Beloamphiphile Layers: Improved Structural Design Bias Realized In Ferroelectric Crystals Of The Novel “Methoxyphenyl Series Of Acetophenone Azines”, Harmeet Bhoday, Nathan Knotts, Rainer Glaser
Chemistry Faculty Research & Creative Works
An Improved Design Is Described For Ferroelectric Crystals And Implemented With The "Methoxyphenyl Series" Of Acetophenone Azines, (MeO−Ph, Y)-Azines With Y=F (1), Cl (2), Br (3), Or I (4). The Crystal Structures Of These Azines Exhibit Polar Stacking Of Parallel Beloamphiphile Monolayers (PBAMs). Azines 1, 3, And 4 Form True Racemates Whereas Chloroazine 2 Crystallizes As A Kryptoracemate. Azines 1–4 Are Helical Because Of The N−N Bond Conformation. In True Racemates The Molecules Of Opposite Helicity (M And P) Are Enantiomers A(M) And A*(P) While In Kryptoracemates They Are Diastereomers A(M) And B*(P). The Stacking Mode Of PBAMs Is Influenced …
A Comparative Study Of Cationic Copper(I) Reagents Supported By Bipodal Tetramethylguanidinyl-Containing Ligands As Nitrene-Transfer Catalysts, Suraj Kumar Sahoo, Brent Harfmann, Himanshu Bhatia, Harish Singh, Srikanth Balijapelly, Amitava Choudhury, Pericles Stavropoulos
A Comparative Study Of Cationic Copper(I) Reagents Supported By Bipodal Tetramethylguanidinyl-Containing Ligands As Nitrene-Transfer Catalysts, Suraj Kumar Sahoo, Brent Harfmann, Himanshu Bhatia, Harish Singh, Srikanth Balijapelly, Amitava Choudhury, Pericles Stavropoulos
Chemistry Faculty Research & Creative Works
The Bipodal Compounds [(TMG2biphenN-R)CuI-NCMe](PF6) (R = Me, Ar (4-CF3Ph-)) And [(TMG2biphenN-Me)CuI-I] Have Been Synthesized With Ligands That Feature A Diarylmethyl- And Triaryl-Amine Framework And Superbasic Tetramethylguanidinyl Residues (TMG). The Cationic Cu(I) Sites Mediate Catalytic Nitrene-Transfer Reactions Between The Imidoiodinane PhI = NTs (Ts = Tosyl) And A Panel Of Styrenes In MeCN, To Afford Aziridines, Demonstrating Comparable Reactivity Profiles. The Copper Reagents Have Been Further Explored To Execute C-H Amination Reactions With A Variety Of Aliphatic And Aromatic Hydrocarbons And Two Distinct Nitrene Sources PhI = NTs And PhI = NTces (Tces = 2,2,2-Trichloroethylsulfamate) In Benzene/HFIP (10:2 V/v). Good Yields …
Fabrication Process Independent And Robust Aggregation Of Detonation Nanodiamonds In Aqueous Media, Inga C. Kuschnerus, Haotian Wen, Xinrui Zeng, Yee Yee Khine, Juanfang Ruan, Chun Jen Su, U. Ser Jeng, Hugues A. Girard, Jean Charles Arnault, Eiji Ōsawa, Olga Shenderova, Vadym Mochalin, Ming Liu, Masahiro Nishikawa
Fabrication Process Independent And Robust Aggregation Of Detonation Nanodiamonds In Aqueous Media, Inga C. Kuschnerus, Haotian Wen, Xinrui Zeng, Yee Yee Khine, Juanfang Ruan, Chun Jen Su, U. Ser Jeng, Hugues A. Girard, Jean Charles Arnault, Eiji Ōsawa, Olga Shenderova, Vadym Mochalin, Ming Liu, Masahiro Nishikawa
Chemistry Faculty Research & Creative Works
In the past detonation nanodiamonds (DNDs), sized 3–5 nm, have been praised for their colloidal stability in aqueous media, thereby attracting vast interest in a wide range of applications including nanomedicine. More recent studies have challenged the consensus that DNDs are monodispersed after their fabrication process, with their aggregate formation dynamics poorly understood. Here we reveal that DNDs in aqueous solution, regardless of their post-synthesis de-agglomeration and purification methods, exhibit hierarchical aggregation structures consisting of chain-like and cluster aggregate morphologies. With a novel characterization approach combining machine learning with direct cryo-transmission electron microscopy and with X-ray scattering and vibrational spectroscopy, …
Oxidative Stress In Health And Disease, V. Prakash Reddy
Oxidative Stress In Health And Disease, V. Prakash Reddy
Chemistry Faculty Research & Creative Works
Oxidative stress, resulting from the excessive intracellular accumulation of reactive oxygen species (ROS), reactive nitrogen species (RNS), and other free radical species, contributes to the onset and progression of various diseases, including diabetes, obesity, diabetic nephropathy, diabetic neuropathy, and neurological diseases, such as Alzheimer's disease (AD), amyotrophic lateral sclerosis (ALS), and Parkinson's disease (PD). Oxidative stress is also implicated in cardiovascular disease and cancer. Exacerbated oxidative stress leads to the accelerated formation of advanced glycation end products (AGEs), a complex mixture of crosslinked proteins and protein modifications. Relatively high levels of AGEs are generated in diabetes, obesity, AD, and other …
Ab Initio Quantum Scattering Calculations And A New Potential Energy Surface For The Hcl(X¹Σ+)-O2( X 3 Σ G − ) System: Collision-Induced Line Shape Parameters For O2-Perturbed R(0) 0-0 Line In H35cl, Artur Olejnik, Hubert Jóźwiak, Maciej Gancewski, Ernesto Quintas-Sánchez, Richard Dawes, Piotr Wcisło
Ab Initio Quantum Scattering Calculations And A New Potential Energy Surface For The Hcl(X¹Σ+)-O2( X 3 Σ G − ) System: Collision-Induced Line Shape Parameters For O2-Perturbed R(0) 0-0 Line In H35cl, Artur Olejnik, Hubert Jóźwiak, Maciej Gancewski, Ernesto Quintas-Sánchez, Richard Dawes, Piotr Wcisło
Chemistry Faculty Research & Creative Works
The Remote Sensing of Abundance and Properties of HCl—the Main Atmospheric Reservoir of Cl Atoms that Directly Participate in Ozone Depletion—is Important for Monitoring the Partitioning of Chlorine between "Ozone-Depleting" and "Reservoir" Species. Such Remote Studies Require Knowledge of the Shapes of Molecular Resonances of HCl, Which Are Perturbed by Collisions with the Molecules of the Surrounding Air. in This Work, We Report the First Fully Quantum Calculations of Collisional Perturbations of the Shape of a Pure Rotational Line in H35Cl Perturbed by an Air-Relevant Molecule [As the First Model System We Choose the R(0) Line in HCl Perturbed by …
Modulation Of Electrocatalytic Activity By Tuning Anion Electronegativity: Case Study With Copper Chalcogenides, Harish Singh, David Prendergast, Manashi Nath
Modulation Of Electrocatalytic Activity By Tuning Anion Electronegativity: Case Study With Copper Chalcogenides, Harish Singh, David Prendergast, Manashi Nath
Chemistry Faculty Research & Creative Works
Anion-tuning in metallic chalcogenides has been shown to have a significant impact on their electrocatalytic ability for overall water splitting. In this article, copper-based chalcogenides (Cu2 X, X= O, S, Se, and Te) have been systematically studied to examine the effect of decreasing anion electronegativity and increasing covalency on the electrocatalytic performance. Among the copper chalcogenides, Cu2Te has the highest oxygen evolution reaction (OER) activity and can sustain high current density of 10 and 50 mA cm−2 for 12 h. The difference in intrinsic catalytic activity of these chalcogenide surfaces have been also probed through density functional theory calculations, which …
Ambient Processed Rgo/Ti3cntx Mxene Thin Film With High Oxidation Stability, Photosensitivity, And Self-Cleaning Potential, Muhammad Abiyyu Kenichi Purbayanto, Dominika Bury, Madhurya Chandel, Zhila Dehghan Shahrak, Vadym Mochalin, Anna Wójcik, Dorota Moszczyńska, Anita Wojciechowska, Anika Tabassum, Michael Naguib, Agnieszka Maria Jastrzębska
Ambient Processed Rgo/Ti3cntx Mxene Thin Film With High Oxidation Stability, Photosensitivity, And Self-Cleaning Potential, Muhammad Abiyyu Kenichi Purbayanto, Dominika Bury, Madhurya Chandel, Zhila Dehghan Shahrak, Vadym Mochalin, Anna Wójcik, Dorota Moszczyńska, Anita Wojciechowska, Anika Tabassum, Michael Naguib, Agnieszka Maria Jastrzębska
Chemistry Faculty Research & Creative Works
Solution-Based Processing Offers Advantages for Producing Thin Films Due to Scalability, Low Cost, Simplicity, and Benignity to the Environment. Here, We Develop Conductive and Photoactivated Self-Cleaning Reduced Graphene Oxide (RGO)/Ti3CNTx MXene Thin Films Via Spin Coating under Ambient Conditions. the Addition of a Thin RGO Layer on Top of Ti3CNTx Resulted in Up to 45-Fold Improvement in the Environmental Stability of the Film Compared to the Bare Ti3CNTx Film. the Optimized RGO/Ti3CNTx Thin Film Exhibits an Optical Transmittance of 74% in the Visible Region of the Spectrum and …
Crystal Environment Induced Symmetry Reduction (Ceisr): Deep Analysis Of Para-Chloroacetophenone Azine And Generalization, Harmeet Bhoday, Kaidi Yang, Steven P. Kelley, Rainer Glaser
Crystal Environment Induced Symmetry Reduction (Ceisr): Deep Analysis Of Para-Chloroacetophenone Azine And Generalization, Harmeet Bhoday, Kaidi Yang, Steven P. Kelley, Rainer Glaser
Chemistry Faculty Research & Creative Works
The morphologies of sixteen crystal structures of ten symmetrical Xpara-Ph-(Me)C 00000000 00000000 00000000 00000000 11111111 = N-N = C (Me)-Ph-Xpara azines: 1 (Cl), 2 (Br), 3 (I), 4 (OH), 5 (PhO), 6 (CF3), 7 (F), 8 (Me), 9 (NO2), and 10 (PrO) are described. All the azines crystallize forming idioteloamphiphile monolayers (IAMs) and their morphologies fall into the two main classes of "flat" and "shiplap" depending on the lateral offsets between next neighbors in the monolayer. Ab initio studies show that the (E,E)-configured p-disubstituted acetophenone azines are C2-symmetric in the gas phase and that the azine and phenyl twists are …
Outgassing Behavior And Heat Treatment Optimization Of Jsc-1a Lunar Regolith Simulant, Ryan P. Wilkerson, Mihail P. Petkov, Gerald E. Voecks, Catherine S. Lynch, Holly S. Shulman, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Douglas L. Rickman, Michael R. Effinger
Outgassing Behavior And Heat Treatment Optimization Of Jsc-1a Lunar Regolith Simulant, Ryan P. Wilkerson, Mihail P. Petkov, Gerald E. Voecks, Catherine S. Lynch, Holly S. Shulman, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Douglas L. Rickman, Michael R. Effinger
Chemistry Faculty Research & Creative Works
As NASA Strives towards a Long Duration Presence on the Moon, It Has Become Increasingly Important to Learn How to Better Utilize Resources from the Lunar Surface for Everything from Habitats, Vehicle Infrastructure, and Chemical Extraction. to that End, a Variety of Lunar Simulants Have Been Sourced from Terrestrially Available Volcanic Minerals and Glass as Apollo Regolith is Unavailable for Experimentation Needing Large Masses. However, While Mineralogy and Chemical Composition Can Approach that of Lunar Material in These Simulants, There Are Still Distinct Non-Lunar Phases Such as Hydrates, Carbonates, Sulfates, and Clays that Can Cause Simulants to Behave Distinctly Non-Lunar …
Cationic Divalent Metal Sites (M = Mn, Fe, Co) Operating As Both Nitrene-Transfer Agents And Lewis Acids Toward Mediating The Synthesis Of Three- And Five-Membered N-Heterocycles, Suraj Kumar Sahoo, Brent Harfmann, Lin Ai, Qiuwen Wang, Sudip Mohapatra, Amitava Choudhury, Pericles Stavropoulos
Cationic Divalent Metal Sites (M = Mn, Fe, Co) Operating As Both Nitrene-Transfer Agents And Lewis Acids Toward Mediating The Synthesis Of Three- And Five-Membered N-Heterocycles, Suraj Kumar Sahoo, Brent Harfmann, Lin Ai, Qiuwen Wang, Sudip Mohapatra, Amitava Choudhury, Pericles Stavropoulos
Chemistry Faculty Research & Creative Works
The tripodal compounds [(TMG3trphen)MII-solv](PF6)2 (M = Mn, Fe, Co; solv = MeCN, DMF) and bipodal analogues [(TMG2biphen)MII(NCMe)x](PF6)2 (x = 3 for Mn, Fe; x = 2 for Co) and [(TMG2biphen)MIICl2] have been synthesized with ligands that feature a triaryl- or diarylmethyl-amine framework and superbasic tetramethylguanidinyl residues (TMG). The dicationic M(II) sites mediate catalytic nitrene-transfer reactions between the imidoiodinane PhI═NTs (Ts = tosyl) and a panel of styrenes in MeCN to afford aziridines and low yields of imidazolines (upon …
Repeated Low-Level Blast Exposure Alters Urinary And Serum Metabolites, Austin Sigler, Jiandong Wu, Annalise Pfaff, Olajide Adetunji, Paul Ki-Souk Nam, Donald James, Casey Burton, Honglan Shi
Repeated Low-Level Blast Exposure Alters Urinary And Serum Metabolites, Austin Sigler, Jiandong Wu, Annalise Pfaff, Olajide Adetunji, Paul Ki-Souk Nam, Donald James, Casey Burton, Honglan Shi
Chemistry Faculty Research & Creative Works
Repeated exposure to low-level blast overpressures can produce biological changes and clinical sequelae that resemble mild traumatic brain injury (TBI). While recent efforts have revealed several protein biomarkers for axonal injury during repetitive blast exposure, this study aims to explore potential small molecule biomarkers of brain injury during repeated blast exposure. This study evaluated a panel of ten small molecule metabolites involved in neurotransmission, oxidative stress, and energy metabolism in the urine and serum of military personnel (n = 27) conducting breacher training with repeated exposure to low-level blasts. The metabolites were analyzed using HPLC—tandem mass spectrometry, and the Wilcoxon …
Collisional Excitation Of C2h- By H2: New Interaction Potential And Scattering Calculations, Fabien Dumouchel, Ernesto Quintas-Sánchez, Christian Balança, Richard Dawes, François Lique, Nicole Feautrier
Collisional Excitation Of C2h- By H2: New Interaction Potential And Scattering Calculations, Fabien Dumouchel, Ernesto Quintas-Sánchez, Christian Balança, Richard Dawes, François Lique, Nicole Feautrier
Chemistry Faculty Research & Creative Works
Interstellar Anions Play an Important Role in Astrochemistry as Being Tracers of the Physical and Chemical Conditions in Cold Molecular Clouds and Circumstellar Gas. the Local Thermodynamic Equilibrium is Generally Not Fulfilled in Media Where Anions Are Detected and Radiative and Collisional Data Are Required to Model the Observed Lines. the C2H- Anion Has Not Yet Been Detected in the Interstellar Medium; However, Collisional Data Could Be Used for Non-LTE Models that Would Help in Identifying the Most Intense Lines. for This Purpose, We Have Computed the First 4D Potential Energy Surface (PES) of the C2H--H2 Complex using an Explicitly …
Epitaxial Single-Domain Cu-Btc Metal-Organic Framework Thin Films And Foils By Electrochemical Conversion Of Cuprous Oxide, Xiaoting Zhang, Bin Luo, Avishek Banik, John Z. Tubbesing, Jay A. Switzer
Epitaxial Single-Domain Cu-Btc Metal-Organic Framework Thin Films And Foils By Electrochemical Conversion Of Cuprous Oxide, Xiaoting Zhang, Bin Luo, Avishek Banik, John Z. Tubbesing, Jay A. Switzer
Chemistry Faculty Research & Creative Works
Metal-Organic Frameworks (MOFs) Are an Important Class of Crystalline Porous Materials with Extensive Chemical and Structural Merits. However, the Fabrication of MOF Thin Films Oriented Along All Crystallographic Axes to Achieve Well-Aligned Nanopores and Nanochannels with Uniform Apertures Remains a Challenge. Here, We Achieved Highly Crystalline Single-Domain MOF Thin Films with the [111] Out-Of-Plane Orientation by Electrochemical Conversion of Cuprous Oxide. Copper(II)-Benzene-1,3,5-Tricarboxylate, Cu3(BTC)2 (Referred to as Cu-BTC), is a Well-Known Metal-Organic Open Framework Material with a Cubic Crystal System. Epitaxial Cu-BTC(111) Thin Films Were Manufactured by Electrochemical Oxidation of Cu2O(111) Films Electrodeposited on Single-Crystal Au(111). …
Molecular Cluster Complex Of High-Valence Chromium Selenide Carbonyl As Effective Electrocatalyst For Water Oxidation, Ibrahim Munkaila Abdullahi, Manashi Nath
Molecular Cluster Complex Of High-Valence Chromium Selenide Carbonyl As Effective Electrocatalyst For Water Oxidation, Ibrahim Munkaila Abdullahi, Manashi Nath
Chemistry Faculty Research & Creative Works
Developing Simple, Affordable, and Environmentally Friendly Water Oxidation Electrocatalysts with High Intrinsic Activity and Low overpotential Continues to Be an Area of Intense Research. in This Article, a Trichromium Diselenide Carbonyl Cluster Complex (Et4N)2[Se2Cr3(CO)10], with a Unique Bonding Structure Comprising Bridging Se Groups, Has Been Identified as a Promising Electrocatalyst for Oxygen Evolution Reaction (OER). This Carbonyl Cluster Exhibits a Promising overpotential of 310 MV and a Low Tafel Slope of 82.0 MV Dec−1 at 10 MAcm−2, with Superior Durability in an Alkaline Medium, for a Prolonged …
Rage Inhibitors In Neurodegenerative Diseases, V. Prakash Reddy, Puspa Aryal, Pallavi Soni
Rage Inhibitors In Neurodegenerative Diseases, V. Prakash Reddy, Puspa Aryal, Pallavi Soni
Chemistry Faculty Research & Creative Works
Nonenzymatic Reactions of Reducing Sugars with Primary Amino Groups of Amino Acids, Proteins, and Nucleic Acids, Followed by Oxidative Degradations Would Lead to the Formation of Advanced Glycation Endproducts (AGEs). the AGEs Exert Multifactorial Effects on Cell Damage Leading to the Onset of Neurological Disorders. the Interaction of AGEs with the Receptors for Advanced Glycation Endproducts (RAGE) Contribute to the Activation of Intracellular Signaling and the Expression of the Pro-Inflammatory Transcription Factors and Various Inflammatory Cytokines. This Inflammatory Signaling Cascade is Associated with Various Neurological Diseases, Including Alzheimer's Disease (AD), Secondary Effects of Traumatic Brain Injury (TBI), Amyotrophic Lateral Sclerosis …
Synthesis Of Enantiomers Of Chiral Ester Derivatives Containing An Amide Group And Their Chiral Recognition By ¹H Nmr Spectroscopy, Yan Lin Li, Hong Mei Zhao, Yu Qing Ren, Meng Qiu, Hai Tong Zhang, Guang Peng Gao, Li Zheng, Pericles Stavropoulos, Lin Ai
Synthesis Of Enantiomers Of Chiral Ester Derivatives Containing An Amide Group And Their Chiral Recognition By ¹H Nmr Spectroscopy, Yan Lin Li, Hong Mei Zhao, Yu Qing Ren, Meng Qiu, Hai Tong Zhang, Guang Peng Gao, Li Zheng, Pericles Stavropoulos, Lin Ai
Chemistry Faculty Research & Creative Works
Enantiomers of Chiral Ester Derivatives Containing an Amide Group and Possessing One or Two Stereogenic Centers Were Prepared from L- and D-Α-Amino Acids, and Glycine with (S)- and (R)-Mandelic Acid for Probing their Chiral Recognition as a New Class of Chiral Guests by 1H NMR Spectroscopy, Since Chiral Ester Derivatives Have Been Rarely Used as Chiral Substrates for Chiral Recognition by 1H NMR Technology. the Results Indicated that These Chiral Ester Derivatives Have Been Successfully Differentiated in the Presence of Tetraaza Macrocyclic Chiral Solvating Agents (TAMCSAs) 1 A–1 C. in Order to Better Understand their Chiral Discriminating Behavior, Job Plots, …
Perspectives Of 2d Mxene Tribology, Andreas Rosenkranz, Maria Clelia Righi, Anirudha V. Sumant, Babak Anasori, Vadym Mochalin
Perspectives Of 2d Mxene Tribology, Andreas Rosenkranz, Maria Clelia Righi, Anirudha V. Sumant, Babak Anasori, Vadym Mochalin
Chemistry Faculty Research & Creative Works
The Large and Rapidly Growing Family of 2D Early Transition Metal Carbides, Nitrides, and Carbonitrides (MXenes) Raises Significant Interest in the Materials Science and Chemistry of Materials Communities. Discovered a Little More Than a Decade Ago, MXenes Have Already Demonstrated Outstanding Potential in Various Applications Ranging from Energy Storage to Biology and Medicine. the Past Two Years Have Witnessed Increased Experimental and Theoretical Efforts toward Studying MXenes' Mechanical and Tribological Properties When Used as Lubricant Additives, Reinforcement Phases in Composites, or Solid Lubricant Coatings. Although Research on the Understanding of the Friction and Wear Performance of MXenes under Dry and …