Chemistry Commons^™

Facet Dependent Oxygen Evolution Activity Of Spinel Cobalt Oxides, Li-Hua Zhang, Hong-Yuan Chuai, Hai Liu, Qun Fan, Si-Yu Kuang, Sheng Zhang, Xin-Bin Ma

Journal of Electrochemistry

Water splitting is a promising technology to produce clean hydrogen if powered by renewable energies, where oxygen evolution is the rate determining step at an anode. Here we adjust the different crystal planes of the cobalt oxides catalyst to expose more effective active sites through a hydrothermal process, so as to improve the reaction activity for oxygen evolution. The samples were well characterized by TEM, SEM and XRD. Among the three synthetic crystal planes (100), (111) and (110) of spinel cobalt oxides, the (100) crystal plane has the highest intrinsic activity. Combining in-situ infrared and DFT calculations, we …

Selective Co2 Reduction To Formate On Heterostructured Sn/Sno2 Nanoparticles Promoted By Carbon Layer Networks, Xue Teng, Yanli Niu, Shuaiqi Gong, Xuan Liu, Zuofeng Chen

Journal of Electrochemistry

Tin (Sn)-based materials have emerged as promising electrocatalysts for selective reduction of CO₂ to formate, but their overall performances are still limited by electrode structures which govern the accessibility to active sites, the electron transfer kinetics, and the catalytic stability. In this study, the heterostructured Sn/SnO₂ nanoparticles dispersed by N-doped carbon layer networks (Sn/SnO₂@NC) were synthesized by a melt-recrystallization method taking the low melting point of Sn (m.p. 232^oC). The N-doped carbon layer networks derived from polydopamine could attract more electrons on the electrocatalyst, serve as conductive agents and protect the ultrafine nanoparticles from …

Structural Degradation Of Ni-Rich Layered Oxide Cathode For Li-Ion Batteries, Jia-Yi Wang, Sheng-Nan Guo, Xin Wang, Lin Gu, Dong Su

Journal of Electrochemistry

Nickel(Ni)-rich layered oxide has been regarded as one of the most important cathode materials for the lithium-ion batteries because of its low cost and high energy density. However, the concerns in safety and durability of this compound are still challenging for its further development. On this account, the in-depth understanding in the structural factors determining its capacity attenuation is essential. In this review, we summarize the recent advances on the degradation mechanisms of Ni-rich layered oxide cathode. Progresses in the structure evolution of Ni-rich oxide are carefully combed in terms of inner evolution, surface evolution, and the property under thermal …

Frontier Of Electrochemistry, Hong-Gang Liao, Zhang-Quan Peng, Wen-Bin Cai

Journal of Electrochemistry

No abstract provided.

Recent Advances In Electrochemical Kinetics Simulations And Their Applications In Pt-Based Fuel Cells, Ji-Li Li, Ye-Fei Li, Zhi-Pan Liu

Journal of Electrochemistry

Theoretical simulations of electrocatalysis are vital for understanding the mechanism of the electrochemical process at the atomic level. It can help to reveal the in-situ structures of electrode surfaces and establish the microscopic mechanism of electrocatalysis, thereby solving the problems such as electrode oxidation and corrosion. However, there are still many problems in the theoretical electrochemical simulations, including the solvation effects, the electric double layer, and the structural transformation of electrodes. Here we review recent advances of theoretical methods in electrochemical modeling, in particular, the double reference approach, the periodic continuum solvation model based on the modified Poisson-Boltzmann …

Recent Advances In Structural Regulation On Non-Precious Metal Catalysts For Oxygen Reduction Reaction In Alkaline Electrolytes, Xue Wang, Li Zhang, Chang-Peng Liu, Jun-Jie Ge, Jian-Bing Zhu, Wei Xing

Journal of Electrochemistry

Oxygen reduction reaction (ORR) in alkaline electrolytes is an important electrochemical process for metal-air batteries and anion exchange membrane fuel cells (AEMFCs). However, the sluggish kinetics spurs intensive research on searching robust electrocatalysts. Non-precious metal catalysts (NPMCs) that can circumvent the cost and scarcity issues associated with platinum (Pt)-based materials have been pursued and the challenges lie in the performance improvement to rival Pt-based benchmarks. As the composition and structure of the NPMCs have a significant impact on the catalytic performance, precise regulation on the catalyst structure holds great promise to bridge the activity gap between NPMCs and Pt-based benchmarks. …

A Beginners’ Guide To Modelling Of Electric Double Layer Under Equilibrium, Nonequilibrium And Ac Conditions, Lu-Lu Zhang, Chen-Kun Li, Jun Huang

Journal of Electrochemistry

In electrochemistry, perhaps also in other time-honored scientific disciplines, knowledge labelled classical usually attracts less attention from beginners, especially those pressured or tempted to quickly jam into research fronts that are labelled, not always aptly, modern. In fact, it is a normal reaction to the burden of history and the stress of today. Against this context, accessible tutorials on classical knowledge are useful, should some realize that taking a step back could be the best way forward. This is the driving force of this article themed at physicochemical modelling of the electric (electrochemical) double layer (EDL). We begin the exposition …

Magnetic Resonance In Metal-Ion Batteries: From Nmr (Nuclear Magnetic Resonance) To Epr (Electron Paramagnetic Resonance), Bing-Wen Hu, Chao Li, Fu-Shan Geng, Ming Shen

Journal of Electrochemistry

Metal-ion batteries have changed our quotidian lives. The research on the electrode materials for metal-ion battery is the key to improve the performance of the battery. Therefore, understanding the structure-performance relationship of the electrode materials can help to improve the energy density and power density of the materials. Magnetic resonance, including nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR), has been continuously improved during the past three decades, and has gradually become one of the important technologies to study the structure-performance relationship of electrode materials. This paper summarizes the progress of magnetic resonance research from our group on several …

Mass Loading Optimization For Ethylene Glycol Oxidation At Different Potential Regions, Sheng-Nan Sun, Zhi-Chuan Xu

Journal of Electrochemistry

Designing and fabricating the electrocatalysts is attracting more and more attention in recent years due to a global interest in developing techniques for electrochemical energy conversion and storage, as well as elelectro-synthesis of valuable chemicals. The activity is one of the key performance parameters for electrocatalysts, while the observed activity can be affected by mass loading of electrocatalysts. Here, we take cobalt oxide (Co₃O₄)/graphite paper electrode (Co₃O₄/GPE) as a model electrode to demon-strate how the mass loading of Co₃O₄ catalyst influences ethylene glycol (EG) oxidation in alkaline (KOH) by …

Development Of Effectual Substrates For Sers By Nanostructurs-Coated Porous Silicon, Fatima J. Moaen, Hammad R. Humud, Fouad G. Hamzah

Karbala International Journal of Modern Science

The current paper provides an efficient method for making active and effectual substrates used for detecting molecules by improving surface-enhanced Raman scattering (SERS). These substrates were fabricated using nanostructure-coated porous silicon. The nanostructures were prepared through the electrical exploding wire (EEW) technique. The silver nanowires (AgNWs) were coated with a polydopamine (PDA) layer to form an AgNWs@PDA colloidal solution. Then, the Ag wire was electrically exploded in the colloidal solution to form the (AgNWs@PDA@AgNPs) plasmonic nanostructures as a metal-insulator-metal. The effect of the plasmonic nanostructures’ morphologies on the absorptances spectra and SERS activities were studied utilising Rhodamine 6G (Rh6G) dye …

Preparation And Characteristics Study Of Porous Silicon For Vacuum Sensor Application, Noor S. Dawood, Mehdi Q. Zayer, Muslim F. Jawad

Karbala International Journal of Modern Science

Vacuum is a technique that can be employed to measure pressures less than atmosphere (101325 mbar), the vacuum is too important in numerous fields of life. In the present research, the sensor of vacuum has been produced using a porous layer of silicon (Psi). N-type of silicon wafer (Si) has been used for formulating Psi samples utilizing photo-electrochemical etching (PECE) technique. The experimental work was carried out under different etching times (30, 60, and 90 min) while fixing the other parameters, including (24%) Hydrofluoric (HF) acid and (20 mA/cm²) current density. The pore width and depth and porosity …

Synthesis And Evaluation Of 11c-Labeled Triazolones As Probes For Imaging Fatty Acid Synthase Expression By Positron Emission Tomography, James M. Kelly, Thomas M. Jeitner, Nicole N. Waterhouse, Wenchao Qu, Ethan J. Linstad, Banafshe Samani, Clarence Williams Jr., Anastasia Nikolopoulou, Alejandro Amor-Coarasa, Stephen G. Dimagno, John W. Babich

Department of Chemistry: Faculty Publications

Cancer cells require lipids to fulfill energetic, proliferative, and signaling requirements. Even though these cells can take up exogenous fatty acids, the majority exhibit a dependency on de novo fatty acid synthesis. Fatty acid synthase (FASN) is the rate-limiting enzyme in this process. Expression and activity of FASN is elevated in multiple cancers, where it correlates with disease progression and poor prognosis. These observations have sparked interest in developing methods of detecting FASN expression in vivo. One promising approach is the imaging of radiolabeled molecular probes targeting FASN by positron emission tomography (PET). However, although [¹¹C]acetate uptake by …

The Van Der Waals Mixture Construct Of A P-X Two-Component Gas=Liquid Phase Diagram, Carl W. David

Chemistry Education Materials

The van der Waals model, when applied to a mixture, is used to construct tie-line points on a liquid=vapor two phase p-x diagram.

Fortilin Interacts With Tgf-Β1 And Prevents Tgf-Β Receptor Activation, Decha Pinkaew, Erik Martinez-Hackert, Wei Jia, Matthew D. King, Fei Miao, Nicole R. Enger, Runglawan Silakit, Kota Ramana, Shi-You Chen, Ken Fujise

Chemistry and Biochemistry Faculty Publications and Presentations

Fortilin is a 172-amino acid multifunctional protein present in both intra- and extracellular spaces. Although fortilin binds and regulates various cellular proteins, the biological role of extracellular fortilin remains unknown. Here we report that fortilin specifically interacts with TGF-β1 and prevents it from activating the TGF-β1 signaling pathway. In a standard immunoprecipitation-western blot assay, fortilin co-immunoprecipitates TGF-β1 and its isoforms. The modified ELISA assay shows that TGF-β1 remains complexed with fortilin in human serum. Both bio-layer interferometry and surface plasmon resonance (SPR) reveal that fortilin directly bind TGF-β1. The SPR analysis also reveals that fortilin and the TGF-β receptor II …

Efficient Capture Of Co2 And Its Selective Reduction To Formic Acid Using Tin-Based Nanomaterials, Emmanuel Oluwaseun Abdul

Dissertations and Theses

CO₂ emissions from the combustion of fossil fuels and other anthropogenic sources have become the main contributing factors to global warming. Chemical methods of absorbing/capturing CO₂ from combustion flue gases have made it a sought-after approach in engineering emission solutions because of its simplistic and convenient operation and high absorption efficiency. The conversion of CO₂ into renewable fuels and high energy density chemicals by clean and economic processes has drawn scientists' attention over the decades. The electrocatalytic conversion of CO₂ using Sn-based materials has been demonstrated to be a promising method for producing formate, an important …

Computational Study On The Microscopic Adsorption Characteristics Of Linear Alkylbenzene Sulfonates With Different Chain Lengths On Anthracite Surface, Xuanlai Chen, Guochao Yan, Guang Xu, Xianglin Yang, Jinfa Dong, Zidong Liang, Shuai Wei

Mining Engineering Faculty Research & Creative Works

In order to explore the influence of different lengths of hydrophobic carbon chains on the diffusion characteristics of surfactants on the surface of anthracite, six linear alkyl benzene sulfonates with different hydrophobic carbon chain lengths were selected (mC, m = 8, 10, 12, 14, 16, 18; m represents the numbers of carbon atoms in the hydrophobic carbon chain), and molecular dynamics (MD) simulations were adopted. Models of surfactant-anthracite, surfactant-graphite layer, and water-surfactant-anthracite were constructed. After analyzing a series of properties such as adsorption energy, diffusion coefficient, radial distribution function (RDF), and hydrophobic tail order parameters, it was found that 12C …

Intramolecular Friedel-Crafts Addition Of Indoles To Tertiary Allylic Alcohols, Bryan H. Wakefield, Romie Barnes, Traeannah Brown, Ashley M. Jones, Victoria A. Knotts, Christina Martinetti

Journal of the South Carolina Academy of Science

An intermolecular Friedel-Crafts alkylation of indole and tertiary allylic alcohols has been developed. The allylic alcohols were synthesized using a two-step procedure, then exposure of these alcohols to diphenyl phosphate facilitated the desired annulation reaction. This reaction tolerated a variety of indole substitutions to yield 1H,2H,3H,4H-pyrido[1,2-a]indoles.

Disclosing The Role Of C4-Oxo Substitution In The Photochemistry Of Dna And Rna Pyrimidine Monomers: Formation Of Photoproducts From The Vibrationally Excited Ground State, Sean J. Hoehn, Sarah E. Krul, Carlos E. Crespo-Hernández

Faculty Scholarship

Oxo and amino substituted purines and pyrimidines have been suggested as protonucleobases participating in ancient pre-RNA forms. Considering electromagnetic radiation as a key environmental selection pressure on early Earth, the investigation of the photophysics of modified nucleobases is crucial to determine their viability as nucleobases’ ancestors and to understand the factors that rule the photostability of natural nucleobases. In this Letter, we combine femtosecond transient absorption spectroscopy and quantum mechanical simulations to reveal the photochemistry of 4-pyrimidinone, a close relative of uracil. Irradiation of 4-pyrimidinone with ultraviolet radiation populates the S1(ππ*) state, which decays to the vibrationally excited ground state …

Study Of Pore Length And Chemical Composition Of Charcoal That Results From The Pyrolysis Of Coconut Shell In Bolaang Mongondow, Sulawesi, Indonesia, Meytij Jeanne Rampe, Ignatius Rachmat S. Santoso, Henny Lieke Rampe, Vistarani Arini Tiwow, Tresia Eti Ayuningsi Rorano

Karbala International Journal of Modern Science

Charcoal of coconut shell is produced by pyrolysis at 300^oC and chemically activated using HCl. Both pyrolysis charcoal and chemical activation were measured and analyzed by Fourier Transform Infrared (FTIR), Scanning Electron Microscopy (SEM), and Energy Dispersive Spectroscopy (EDS). The functional groups found O-H, aliphatic C-H, aromatic C=C, C-O, and aromatic C-H. The distribution of pyrolysis charcoal pore length and chemical activation increased from 362 nm-1.02 µm to 1.10 µm-1.52 µm. The composition of carbon elements in the mass % of pyrolysis charcoal and chemical activation increased from 86.11% to 88.93%.

In-Vitro Evaluation Of High Dosage Of Curcumin Encapsulation In Palm-Oil-In-Water, Nanoemulsion Stabilized With A Sonochemical Approach, Uday Dasharath Bagale Phd, Aram Tsaturov, Irina Potoroko, Shital Potdar, Shirish Sonawane Phd

Karbala International Journal of Modern Science

Curcumin is unstable under different environmental conditions. To increase the bioavailability and stability of curcumin, it is proposed in the present study to encapsulate it in palm oil-in-water nanoemulsions using ultrasound. The present work deals with maximum curcumin encapsulation into oil forms stable nanoemulsion using a food-grade surfactant and examines its antioxidant assay and in-vitro study. The synthesized curcumin nanoemulsion (CuNE) shows particle size in the range of 14.7 ± 3 nm, 95 ± 0.5% encapsulation efficiency, and provides stability against different environmental parameters. Furthermore, in-vitro analysis of high dosage CuNE shows more than 80-90% retention during simulated gastric and …

Exploring Pathways From Data To Knowledge To Insights In The Pharmaceutical Industry: ‘Introducing The Pharmaceutical Knowledge Ecosystem’, Melanie J. Adams, Paige E. Kane, Anne Greene (Editor), Martin Lipa

Level 3

The ecosystem of how the pharmaceutical industry acquires data, transforms these data into tangible knowledge, and derives valuable insights throughout the process, is highly complex. Data, information, knowledge, and the resulting insights, are necessary to support decision- making, manage risk, problem solve, ensure product realisation, enable continual improvement, and enhance operational effectiveness. Building on the fundamental concepts established in the well-known Data Information Knowledge Wisdom (DIKW) hierarchy, this paper reviews the basic concepts involved in the DIKW pathway and begins to relate these concepts to both established capabilities (e.g., PAT), existing requirements (e.g., data integrity), and emerging trends in the …

Improving Risk-Based Decision Making (Rbdm) Effectiveness Through A Framework Which Integrates Knowledge And Risk, Martin Lipa, Valerie Mulholland, Anne Greene (Editor)

Level 3

This paper explores the emergence of the importance of knowledge in Risk-Based Decision Making (RBDM) and Quality Risk Management (QRM) through a detailed review of ICH Q9(R1) (Step 2) and presents a framework(the RKI cycle) to integrate knowledge and risk and associated six principles to operationalise it.

Reno, Carson City And Las Vegas - 1994, University Of Denver

United States Data - Nevada

Relevant Publications

Science Total Environment Publication

Amorphization Of Pseudocapacitive T−Nb2O5 Accelerates Lithium Diffusivity As Revealed Using Tunable Isomorphic Architectures, Wessel Van Den Bergh, Sean Wechsler, Hasala Nadeesini Lokupitiya, Lauren Jarocha, Kwangnam Kim, James Chapman, Kyoung E. Kweon, Brandon C. Wood, Steve Heald, Morgan Stefik Phd

Faculty Publications

Intercalationpseudocapacitancecan combinecapacitor-likepower densitieswith battery-likeenergy densities.Such surface-limitedbehaviorrequiresrapid diffusionwhere amorphizationcan increasesolid-statediffusivity.Here intercalationpseudoca-pacitivematerialswith tailoredextentsof amorphizationin T-Nb2O5are first reported.Amorphizationwas characterizedwithWAXS, XPS, XAFS, and EPR which suggesteda peroxide-rich(O22) surface that was consistentwith DFT predictions.A seriesof tunableisomorphicarchitecturesenabledcomparisonswhileindependentlyvaryingtransportparameters.Throughprocessof elimination,solid-statelithium diffusionwas identifiedas thedominantdiffusive-constraintdictatingthe maximumvoltagesweep rate for surface-limitedkinetics(vSLT), termed the Surface-LimitedThreshold(SLT). ThevSLTincreasedwith amorphizationhoweverstable cycling requiredcrystallineT-Nb2O5. A current-responsemodel using series-impedanceswell-matchedtheseobservations.This perspectiverevealedthat amorphizationof T-Nb2O5enhancedsolid-statediffusionby 12.2% and increasedsurface-limitationsby 17.0% (stablesamples).This approachenabledretaining95% lithiationcapacityat ~800mVs1(1,600C-rate equivalent).

Infrared Investigation Of Lithium Ion Electrolytes: Characterization Of Structure And Dynamics Via Linear And Nonlinear Spectroscopy, Jeramie Christopher Rushing

LSU Doctoral Dissertations

Lithium ion batteries are widely employed in energy storage, but the connection between the molecular interactions in their electrolytes and the macroscopic properties remains elusive. Across three vastly different electrolytes, speciation and dynamics were studied via linear and nonlinear infrared spectroscopy to shed light on this relationship. The impact of mixed solvation on ionic speciation was studied from the perspective of the anion, which revealed a significant energetic favorability for the formation of contact ion pairs in linear carbonate solvents over cyclic carbonates. Infrared spectroscopy and density functional theory calculations described a complete inversion of the speciation due to solvent …

Temporal Trends Of Persistent Organic Pollutants In Sarasota Bay Common Bottlenose Dolphins (Tursiops Truncatus), John Kucklick, Ashley Boggs, Kevin Huncik, Amanda Moors, Elizabeth Davis, Gina Ylitalo, Mary Mcconnell, Christina Makris, Randall S. Wells

Scholarship and Professional Work – COPHS

No abstract provided.

Chemical Reversible Crosslinking Enables Measurement Of Rna 3d Distances And Alternative Conformations In Cells, Ryan Van Damme, Kongpan Li, Minjie Zhang, Jianhui Bai, Wilson H. Lee, Joseph D. Yesselman, Zhipeng Lu, Willem A. Velema

Department of Chemistry: Faculty Publications

Three-dimensional (3D) structures dictate the functions of RNA molecules in a wide variety of biological processes. However, direct determination of RNA 3D structures in vivo is difficult due to their large sizes, conformational heterogeneity, and dynamics. Here we present a method, Spatial 2′-Hydroxyl Acylation Reversible Crosslinking (SHARC), which uses chemical crosslinkers of defined lengths to measure distances between nucleotides in cellular RNA. Integrating crosslinking, exonuclease (exo) trimming, proximity ligation, and high throughput sequencing, SHARC enables transcriptome-wide tertiary structure contact maps at high accuracy and precision, revealing heterogeneous RNA structures and interactions. SHARC data provide constraints that improves Rosetta-based RNA 3D …

Allosteric Determinants Of The Sars-Cov-2 Spike Protein Binding With Nanobodies: Examining Mechanisms Of Mutational Escape And Sensitivity Of The Omicron Variant, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

Structural and biochemical studies have recently revealed a range of rationally engineered nanobodies with efficient neutralizing capacity against the SARS-CoV-2 virus and resilience against mutational escape. In this study, we performed a comprehensive computational analysis of the SARS-CoV-2 spike trimer complexes with single nanobodies Nb6, VHH E, and complex with VHH E/VHH V nanobody combination. We combined coarse-grained and all-atom molecular simulations and collective dynamics analysis with binding free energy scanning, perturbation-response scanning, and network centrality analysis to examine mechanisms of nanobody-induced allosteric modulation and cooperativity in the SARS-CoV-2 spike trimer complexes with these nanobodies. By quantifying energetic and allosteric …

Highly Regioselective Copper-Catalyzed Transfer Hydrodeuteration Of Unactivated Terminal Alkenes, Albert Reyes, Emanuel Rivera Torres, Zoua Pa Vang, Joseph R. Clark

Chemistry Faculty Research and Publications

Catalytic transfer hydrodeuteration of unactivated alkenes is challenging because of the requirement that similar hydrogen and deuterium undergo selective insertion across a π-bond. We now report a highly regioselective catalytic transfer hydrodeuteration of unactivated terminal alkenes across a variety of heteroatom- or heterocycle-containing substrates. The base-metal-catalyzed reaction is also demonstrated on two complex natural products. Reaction studies indicate modular conditions that can also be extended to perform either an alkene transfer hydrogenation or transfer deuteration.

Silver Nanoparticles Synthesized By Nd: Yag Laser Ablation Technique: Characterization And Antibacterial Activity, Sahar Naji Rashid Msc., Kadhim A. Aadim Ph.D., Awatif Sabir Jasim Ph.D.

Karbala International Journal of Modern Science

The pulsed laser ablation in liquid (PLAL) technique can produce high purity nanoparticles, it is a top-down physical method based on the principle of dividing metal ion bulk precursors into metal atoms, this method was used in this work to synthesize silver nanoparticles (AgPNs) by using Nd: YAG laser with two wavelengths (355 nm) and (532 nm) at energies (500 mJ) and (600 mJ) respectively, with the number of pulses (500, 600, 700, 800, and 900 pulses) for each wavelength. The properties of the prepared nanoparticles were investigated by UV-Vis, XRD, SEM with EDX, AFM, and FTIR analysis and then …