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Articles 211 - 240 of 1552

Full-Text Articles in Chemistry

Mechanistic Insights Into Electrocatalytic Carbon−Bromine Bond Cleavage In Polybrominated Phenols, Eric C.R. Mckenzie, Seyyedamirhossein Hosseini, Mayank Tanwar, Matthew Neurock, Shelley D. Minteer, Stephen C. Jacobson Sep 2023

Mechanistic Insights Into Electrocatalytic Carbon−Bromine Bond Cleavage In Polybrominated Phenols, Eric C.R. Mckenzie, Seyyedamirhossein Hosseini, Mayank Tanwar, Matthew Neurock, Shelley D. Minteer, Stephen C. Jacobson

Chemistry Faculty Research & Creative Works

Carbon−halogen bond cleavage has been studied extensively for many years as a simple electrosynthesis step in the formation of more complex natural products. Reduction of halogenated phenols has received less attention, in part, due to the lowered faradaic efficiency resulting from the competing hydrogen evolution reaction. Herein, we report the electroreduction of a series of brominated phenols through a homogeneous electrocatalytic (EC′) mechanism. Beginning with the structurally simple 2-bromophenol, we use foot-of-the-wave analysis to determine optimal catalysts. Nickel (II) salen requires the lowest overpotential for C−Br reduction and was used across all substrates. Chronoamperometric studies and density functional theory calculations …

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Comparative Efficacy Of Systemic And Combination Fungicides For The Control Of Alternaria Leaf Spot Of Cabbage, Patience U. Ishieze, Chinedu F. Amuji, Kevin I. Ugwuoke, Paul K. Baiyeri, Michael O. Eze Sep 2023

Comparative Efficacy Of Systemic And Combination Fungicides For The Control Of Alternaria Leaf Spot Of Cabbage, Patience U. Ishieze, Chinedu F. Amuji, Kevin I. Ugwuoke, Paul K. Baiyeri, Michael O. Eze

Chemistry Faculty Research & Creative Works

Alternaria leaf spot of cabbage, caused by the Alternaria brassicicola, affects leaves of cabbages and often results in head rots causing severe decline in yield. in this work, the effects of systemic and combination fungicides on A. brassicicola mycelia growth in vitro and disease severity in field trials were investigated. the results of in vitro evaluation revealed that both fungicides significantly inhibited (p < 0.05) the growth of A. brassicicola under in vitro conditions. However, metal Axyl-M 6% was less effective with 100 μg/mL having only 30 ± 3.5% inhibition. on the other hand, 100 μg/mL of mancozeb 63% + carbendazim 12% had 94 ± 3.5% growth inhibition of A. brassicicola, respectively, under the same conditions. Dose-response analysis of the efficacy of the two fungicides showed that the LC50 of metal Axyl-M 6% and mancozeb 63% + carbendazim 12% were 125.52 ppm and 57.22 ppm, respectively, indicating the superiority of combination fungicide over systemic fungicide alone. Field studies showed that while manure type significantly impacted on biomass production (p < 0.001), it did not significantly affect disease severity. on the other hand, the frequency of fungicide application impacted on disease severity, with biweekly application leading to a significant reduction in disease severity after 10 weeks.

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Reproducibly Defining Electrode Area Of Carbon Paper Electrodes Via Machine Cutting And High-Throughput Waxing, Rokas Gerulskis, Shelley D. Minteer Sep 2023

Reproducibly Defining Electrode Area Of Carbon Paper Electrodes Via Machine Cutting And High-Throughput Waxing, Rokas Gerulskis, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Carbon paper is one of the most common carbon electrode materials employed in electrochemical research due to its low cost, disposability, and controllable dimensions and scaling. Carbon paper is usually hand cut, and a variety of strategies are used to define electrode area. This procedure is tedious, imprecise, and inaccurate, yielding coefficients of variation in peak current output as high as 20%. Imprecision in hand-preparation translates directly to poor reproducibility in electrochemical data leading to challenges in directly comparing data across research groups and research fields. This work introduces an inexpensive and precise method to automatically cut and rapidly wax …

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Development Of An Enhanced Hybrid Bi-Catalytic Electrode Containing Bimetallic Composite Catalyst And Immobilized Enzyme For Complete Glucose Electrooxidation, Jefferson Honorio Franco, João Victor Bonaldo, Rodrigo Garcia Da Silva, Shelley D. Minteer, Adalgisa R. De Andrade Sep 2023

Development Of An Enhanced Hybrid Bi-Catalytic Electrode Containing Bimetallic Composite Catalyst And Immobilized Enzyme For Complete Glucose Electrooxidation, Jefferson Honorio Franco, João Victor Bonaldo, Rodrigo Garcia Da Silva, Shelley D. Minteer, Adalgisa R. De Andrade

Chemistry Faculty Research & Creative Works

We describe an enzymatic fuel cell (EFC) that can electrooxidize glucose completely. the EFC contains the hybrid Ni@Pt-CNT/OxOx bioanode, composed of a bimetallic composite catalyst (Ni@Pt-CNT) and the enzyme oxalate oxidase (OxOx), which can cleave carbon-carbon bonds. Ni@Pt-CNT/OxOx displayed 3-fold higher catalytic activity in the presence than in the absence of glucose (1.3 and 0.4 mA cm−2, respectively), indicating that Ni@Pt-CNT and OxOx acted synergistically. Electrochemical impedance spectroscopy showed that Ni@Pt-CNT/OxOx had higher charge transfer resistance and double layer capacitance than Ni@Pt-CNT. Long-term bulk electrolysis (18 h) revealed that the EFC operating with Ni@Pt-CNT/OxOx presented better current density and stability …

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Change Is The Only Constant: A Virtual Issue On Contemporary Catalysis, Shelley Minteer, Stephanie L. Brock, Géraldine Masson, Raymond E. Schaak Aug 2023

Change Is The Only Constant: A Virtual Issue On Contemporary Catalysis, Shelley Minteer, Stephanie L. Brock, Géraldine Masson, Raymond E. Schaak

Chemistry Faculty Research & Creative Works

No abstract provided.

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Unraveling Hydrogen Atom Transfer Mechanisms With Voltammetry: Oxidative Formation And Reactivity Of Cobalt Hydride, Dylan G. Boucher, Andrew D. Pendergast, Xiangyu Wu, Zachary A. Nguyen, Rohit G. Jadhav, Song Lin, Henry S. White, Shelley D. Minteer Aug 2023

Unraveling Hydrogen Atom Transfer Mechanisms With Voltammetry: Oxidative Formation And Reactivity Of Cobalt Hydride, Dylan G. Boucher, Andrew D. Pendergast, Xiangyu Wu, Zachary A. Nguyen, Rohit G. Jadhav, Song Lin, Henry S. White, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

The utility of transition metal hydride catalyzed hydrogen atom transfer (MHAT) has been widely demonstrated in organic transformations such as alkene isomerization and hydro functionalization reactions. However, the highly reactive nature of the hydride and radical intermediates has hindered mechanistic insight into this pivotal reaction. Recent advances in electrochemical MHAT have opened up the possibility for new analytical approaches for mechanistic diagnosis. Here, we report a voltametric interrogation of Co-Based MHAT reactivity, describing in detail the oxidative formation and reactivity of the key Co-H intermediate and its reaction with aryl alkenes. Insights from cyclic voltammetry and finite element simulations help …

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Enhancing The Performance Of Microbial Fuel Cells Via Metabolic Engineering Of Escherichia Coli For Phenazine Production, Olja Simoska, Dale A. Cummings, Erin M. Gaffney, Claire Langue, Tommy G. Primo, Courtney J. Weber, Corbin E. Witt, Shelley D. Minteer Aug 2023

Enhancing The Performance Of Microbial Fuel Cells Via Metabolic Engineering Of Escherichia Coli For Phenazine Production, Olja Simoska, Dale A. Cummings, Erin M. Gaffney, Claire Langue, Tommy G. Primo, Courtney J. Weber, Corbin E. Witt, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

One of the central roles in the design, development, and application advances in mediator-Based microbial electrochemical systems, such as microbial fuel cells (MFCs), is the establishment of efficient and successful communication between conductive electrode surfaces and microorganisms via modes of extracellular electron transfer (EET). Most microbial-Based systems require the use of artificial electroactive mediators in order to facilitate and/or enhance electron transfer. Our previous work established an exogenous phenazine-Based library as a mediator system to enable EET from the model microorganism Escherichia coli as a promising biotechnological host. However, the addition of exogenous mediators to a microbial electrochemical system has …

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Crystal Environment Induced Symmetry Reduction (Ceisr): Deep Analysis Of Para-Chloroacetophenone Azine And Generalization, Harmeet Bhoday, Kaidi Yang, Steven P. Kelley, Rainer Glaser Aug 2023

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 …

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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 Aug 2023

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 …

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Understanding Formation And Roles Of Niᴵᴵ Aryl Amido And Niiii Aryl Amido Intermediates In Ni-Catalyzed Electrochemical Aryl Amination Reactions, Jian Luo, Michael T. Davenport, Chad Callister, Shelley D. Minteer, Daniel H. Ess, T. Leo Liu Jul 2023

Understanding Formation And Roles Of Niᴵᴵ Aryl Amido And Niiii Aryl Amido Intermediates In Ni-Catalyzed Electrochemical Aryl Amination Reactions, Jian Luo, Michael T. Davenport, Chad Callister, Shelley D. Minteer, Daniel H. Ess, T. Leo Liu

Chemistry Faculty Research & Creative Works

Ni-catalyzed electrochemical aryl amination (e-amination) is an attractive, emerging approach to building C-N bonds. Here, we report in-depth experimental and computational studies that examined the mechanism of Ni-catalyzed e-amination reactions. Key NiII-amine dibromide and NiII aryl amido intermediates were chemically synthesized and characterized. the combination of experiments and DFT calculations suggest (1) there is coordination of an amine to the NiII catalyst before the cathodic reduction and oxidative addition steps, (2) a stable NiII aryl amido intermediate is produced from the cathodic half-reaction, a critical step in controlling the selectivity between cross-coupling and undesired homo-coupling reaction pathways, (3) the diazabicycloundecene …

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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 Jul 2023

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 …

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Salinivibrio Sp. Eagsl As A Halophilic And Ectoine-Producing Bacteria For Broad Microbial Electrochemistry Applications, Isaac P.A. Guynn, Kevin Beaver, Erin M. Gaffney, Ana Bonizol Zani, Ashwini Dantanarayana, Shelley D. Minteer Jun 2023

Salinivibrio Sp. Eagsl As A Halophilic And Ectoine-Producing Bacteria For Broad Microbial Electrochemistry Applications, Isaac P.A. Guynn, Kevin Beaver, Erin M. Gaffney, Ana Bonizol Zani, Ashwini Dantanarayana, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Salini vibrio sp. EAGSL (S. EAGSL) is an extremophile that was isolated from the Great Salt Lake (UT, USA) in 2017, and this strain has since been the focus of promising research in the field of microbial electrochemistry. Namely, S. EAGSL is an organism with both halotolerance and electroactivity, giving this microbe the unique ability to bridge the gap between power output and halotolerance in microbial fuel cells. While studying the genome, a biosynthetic gene for ectoine was identified. Ectoine is an osmolyte that is deemed a value-added chemical due to its ability to stabilize proteins and other biomolecules in …

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Fate And Distribution Of Orally-Ingested Ceo2-Nanoparticles Based On A Mouse Model: Implication For Human Health, Xingmao Ma, Xiaoxuan Wang, Lei Xu, Honglan Shi, Hu Yang, Kerstin K. Landrock, Virender K. Sharma, Robert S. Chapkin Jun 2023

Fate And Distribution Of Orally-Ingested Ceo2-Nanoparticles Based On A Mouse Model: Implication For Human Health, Xingmao Ma, Xiaoxuan Wang, Lei Xu, Honglan Shi, Hu Yang, Kerstin K. Landrock, Virender K. Sharma, Robert S. Chapkin

Chemistry Faculty Research & Creative Works

The use of nanoparticles in agrichemical formula and food products as additives has increased their chances of accumulation in humans via oral intake. Due to their potential toxicity, it is critical to understand their fate and distribution following oral intake. Cerium oxide nanoparticle (CeO2NP) is commonly used in agriculture and is highly stable in the environment. as such, it has been used as a model chemical to investigate nanoparticle's distribution and clearance. based on their estimated human exposure levels, 0.15–0.75 mg/kg body weight/day of CeO2NPs with different sizes and surface charges (30–50 nm with negative charge and <25 >nm with positive …

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Exploring Electrolyte Effects On Metal-Alkyl Bond Stability: Impact And Implications For Electrosynthesis, Dylan G. Boucher, Zachary A. Nguyen, Shelley D. Minteer May 2023

Exploring Electrolyte Effects On Metal-Alkyl Bond Stability: Impact And Implications For Electrosynthesis, Dylan G. Boucher, Zachary A. Nguyen, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Transition metal catalysis hinges on the formation of metal-carbon bonds during catalytic cycles. the stability and reactivity of these bonds are what determine product chemo-, regio-, and enantioselectivity. the advent of electro synthetic methodologies has placed the current understanding of these metal-alkyl bonds into a new environment of charged species and electrochemically induced reactivity. in this paper, we explore the often-neglected impact of supporting electrolyte on homogeneous electrocatalytic mechanisms using the catalytic reduction of benzyl chlorides via Co and Fe tetraphenyl porphyrins as a model reaction. the mechanism of this reaction is confirmed to proceed through the formation of the …

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Detection Of Acetaminophen In Groundwater By Laccase-Based Amperometric Biosensors Using Mos2 Modified Carbon Paper Electrodes, Marcela Herrera-Domínguez, Koun Lim, Iris Aguilar-Hernández, Alejandra García-García, Shelley D. Minteer, Nancy Ornelas-Soto, Raúl Garcia-Morales May 2023

Detection Of Acetaminophen In Groundwater By Laccase-Based Amperometric Biosensors Using Mos2 Modified Carbon Paper Electrodes, Marcela Herrera-Domínguez, Koun Lim, Iris Aguilar-Hernández, Alejandra García-García, Shelley D. Minteer, Nancy Ornelas-Soto, Raúl Garcia-Morales

Chemistry Faculty Research & Creative Works

The use of enzyme-Based biosensors for the detection and quantification of analytes of interest such as contaminants of emerging concern, including over-the-counter medication, provides an attractive alternative compared to more established techniques. However, their direct application to real environmental matrices is still under investigation due to the various drawbacks in their implementation. Here, we report the development of bioelectrodes using laccase enzymes immobilized onto carbon paper electrodes modified with nanostructured molybdenum disulfide (MoS2). the laccase enzymes were two isoforms (LacI and LacII) produced and purified from the fungus Pycnoporus sanguineus CS43 that is native to Mexico. a commercial purified enzyme …

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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 May 2023

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 …

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Dual Crosslinked Poly(Acrylamide-Co-N-Vinylpyrrolidone) Microspheres With Re-Crosslinking Ability For Fossil Energy Recovery, Jingyang Pu, Baojun Bai, Jiaming Geng, Na Zhang, Thomas P. Schuman May 2023

Dual Crosslinked Poly(Acrylamide-Co-N-Vinylpyrrolidone) Microspheres With Re-Crosslinking Ability For Fossil Energy Recovery, Jingyang Pu, Baojun Bai, Jiaming Geng, Na Zhang, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Microspheres have been proposed to be applied in controlling wastewater production for mature oilfields and migrating leakage for gas and nuclear waste storage. However, it remains challenging for stacked microspheres to maintain strong blocking ability in micron-sized small pores or fractures. In this study, a novel microsphere was developed with comprehensive properties including high deformability and long re-crosslinking time upon tunable swelling ratio for the applications. A dual covalent and physical crosslinking strategy was used to develop novel microspheres reinforced by a hydrogen bond (H-bond, between pyrrole ring and amide group) and coordination bond (between chromium acetate (CrAc) and carboxyl …

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Dual Crosslinked Poly(Acrylamide-Co-N-Vinylpyrrolidone) Microspheres With Re-Crosslinking Ability For Fossil Energy Recovery, Jingyang Pu, Baojun Bai, Jiaming Geng, Na Zhang, Thomas Schuman May 2023

Dual Crosslinked Poly(Acrylamide-Co-N-Vinylpyrrolidone) Microspheres With Re-Crosslinking Ability For Fossil Energy Recovery, Jingyang Pu, Baojun Bai, Jiaming Geng, Na Zhang, Thomas Schuman

Chemical and Biochemical Engineering Faculty Research & Creative Works

Microspheres have been proposed to be applied in controlling wastewater production for mature oilfields and migrating leakage for gas and nuclear waste storage. However, it remains challenging for stacked microspheres to maintain strong blocking ability in micron-sized small pores or fractures. in this study, a novel microsphere was developed with comprehensive properties including high deformability and long re-crosslinking time upon tunable swelling ratio for the applications. a dual covalent and physical crosslinking strategy was used to develop novel microspheres reinforced by a hydrogen bond (H-bond, between pyrrole ring and amide group) and coordination bond (between chromium acetate (CrAc) and carboxyl …

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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 Apr 2023

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 …

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Transannular Functionalization Of Multiple C(Sp3)-H Bonds Of Tropane Via An Alkene-Bridged Palladium(I) Dimer, Ellen Y. Aguilera, En Chih Liu, Scott M. Thullen, Melanie S. Sanford Apr 2023

Transannular Functionalization Of Multiple C(Sp3)-H Bonds Of Tropane Via An Alkene-Bridged Palladium(I) Dimer, Ellen Y. Aguilera, En Chih Liu, Scott M. Thullen, Melanie S. Sanford

Chemistry Faculty Research & Creative Works

This Communication describes the Pd-catalyzed C(sp3)-H functionalization of a tropane derivative to generate products with functionalization at two (β/γ) or three (β/γ/β) different sites on the alicyclic amine core. These reactions proceed via an initial dehydrogenation to generate an alkene product that can react further to form a Pd(I) alkene-bridged dimer. Functionalization of this dimer affords β/γ/β-functionalized allylic arylation and allylic acetoxylation products.

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In Situ Confocal Raman Microscopy Of Redox Polymer Films On Bulk Electrode Supports, Jiahe Xu, Miharu Koh, Shelley D. Minteer, Carol Korzeniewski Apr 2023

In Situ Confocal Raman Microscopy Of Redox Polymer Films On Bulk Electrode Supports, Jiahe Xu, Miharu Koh, Shelley D. Minteer, Carol Korzeniewski

Chemistry Faculty Research & Creative Works

A Spectro electrochemical cell is described that enables confocal Raman microscopy studies of electrode-supported films. the confocal probe volume (∼1 μm3) was treated as a fixed-volume reservoir for the observation of potential-induced changes in chemical composition at microscopic locations within an ∼20 μm thickness layer of a redox polymer cast onto a 3 mm diameter carbon disk electrode. using a Raman system with high collection efficiency and wavelength reproducibility, spectral subtraction achieved excellent rejection of background interferences, opening opportunities for measuring within micrometer-scale thickness redox films on widely available, low-cost, and conventional carbon disk electrodes. the cell performance and spectral …

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New Guidelines For Presenting Electrochemical Data In All Acs Journals, Shelley Minteer, Jingguang Chen, Song Lin, Cathleen Crudden, Stefanie Dehnen, Prashant V. Kamat, Marisa Kozlowski, Géraldine Masson, Scott J. Miller Apr 2023

New Guidelines For Presenting Electrochemical Data In All Acs Journals, Shelley Minteer, Jingguang Chen, Song Lin, Cathleen Crudden, Stefanie Dehnen, Prashant V. Kamat, Marisa Kozlowski, Géraldine Masson, Scott J. Miller

Chemistry Faculty Research & Creative Works

No abstract provided.

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Conformational Comparison Of Urea And Thiourea Near The Ccsd(T) Complete Basis Set Limit, Kayleigh R. Barlow, Gregory S. Tschumper Apr 2023

Conformational Comparison Of Urea And Thiourea Near The Ccsd(T) Complete Basis Set Limit, Kayleigh R. Barlow, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

The global minima of urea and thiourea were characterized along with other low-lying stationary points. Each structure was optimized with the CCSD(T) method, and triple-ζ correlation consistent basis sets followed by harmonic vibrational frequency computations. Relative energies evaluated near the complete basis set limit with both canonical and explicitly correlated CCSD(T) techniques reveal several subtle but important details about both systems. These computations resolve a discrepancy by demonstrating that the electronic energy of the C2v second-order saddle point of urea lies at least 1.5 kcal mol−1 above the C2 global minimum regardless of whether the structures were optimized with MP2, …

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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 Apr 2023

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). …

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Nitric Oxide As A Signaling Molecule For Biofilm Formation And Dispersal In Mediated Electron Transfer Microbial Electrochemical Systems, Kevin Beaver, Ashwini Dantanarayana, Ana Bonizol Zani, Danielle L. Lehto, Shelley D. Minteer Apr 2023

Nitric Oxide As A Signaling Molecule For Biofilm Formation And Dispersal In Mediated Electron Transfer Microbial Electrochemical Systems, Kevin Beaver, Ashwini Dantanarayana, Ana Bonizol Zani, Danielle L. Lehto, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

With applications in bioremediation, biosensing, and bioenergy, microbial electrochemical systems are a rapidly growing, multidisciplinary field within biological, chemical, and materials science. Since these systems use living microorganisms as biocatalysts, it is important to understand how microbial physiology, namely biofilm formation, affects these electrochemical systems. Specifically, the literature lacks research that assesses the effects of biofilm on metabolic current output in mediated electron transfer systems. in this study, Rhodobacter capsulates and Pseudomonas putida GPo1 were used as model, nonpathogenic strains that facilitate electron transfer via diffusible redox mediators. Nitric oxide has gained attention in biomedicine as a gaseous signaling molecule, …

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Rage Inhibitors In Neurodegenerative Diseases, V. Prakash Reddy, Puspa Aryal, Pallavi Soni Apr 2023

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 …

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Molecular Cluster Complex Of High-Valence Chromium Selenide Carbonyl As Effective Electrocatalyst For Water Oxidation, Ibrahim Munkaila Abdullahi, Manashi Nath Apr 2023

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 …

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Sharprazor: Automatic Removal Of Hair And Ruler Marks From Dermoscopy Images, Reda Kasmi, Jason Hagerty, Reagan Harris Young, Norsang Lama, Januka Nepal, Jessica Miinch, William V. Stoecker, R. Joe Stanley Apr 2023

Sharprazor: Automatic Removal Of Hair And Ruler Marks From Dermoscopy Images, Reda Kasmi, Jason Hagerty, Reagan Harris Young, Norsang Lama, Januka Nepal, Jessica Miinch, William V. Stoecker, R. Joe Stanley

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Background: The removal of hair and ruler marks is critical in handcrafted image analysis of dermoscopic skin lesions. No other dermoscopic artifacts cause more problems in segmentation and structure detection. Purpose: The aim of the work is to detect both white and black hair, artifacts and finally inpaint correctly the image. Method: We introduce a new algorithm: SharpRazor, to detect hair and ruler marks and remove them from the image. Our multiple-filter approach detects hairs of varying widths within varying backgrounds, while avoiding detection of vessels and bubbles. The proposed algorithm utilizes grayscale plane modification, hair enhancement, segmentation using tri-directional …

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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 Feb 2023

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, …

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Perspectives Of 2d Mxene Tribology, Andreas Rosenkranz, Maria Clelia Righi, Anirudha V. Sumant, Babak Anasori, Vadym Mochalin Feb 2023

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 …

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