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The Top Ten Scientific Questions In Electrochemistry, Chinese Society of Electrochemistry 2024 Chinese Chemical Society | Xiamen University

The Top Ten Scientific Questions In Electrochemistry, Chinese Society Of Electrochemistry

Journal of Electrochemistry

No abstract provided.


Rational Design Of Heterostructured Nanomaterials For Accelerating Electrocatalytic Hydrogen Evolution Reaction Kinetics In Alkaline Media, Hai-Bin Ma, Xiao-Yan Zhou, Jia-Yi Li, Hong-Fei Cheng, Ji-Wei Ma 2024 Shanghai Key Laboratory for R&D and Application of Metallic Functional Materials, Institute of New Energy for Vehicles, School of Materials Science and Engineering, Tongji University, Shanghai 201804, China

Rational Design Of Heterostructured Nanomaterials For Accelerating Electrocatalytic Hydrogen Evolution Reaction Kinetics In Alkaline Media, Hai-Bin Ma, Xiao-Yan Zhou, Jia-Yi Li, Hong-Fei Cheng, Ji-Wei Ma

Journal of Electrochemistry

Owing to the merits of high energy density, as well as clean and sustainable properties, hydrogen has been deemed to be a prominent alternative energy to traditional fossil fuels. Electrocatalytic hydrogen evolution reaction (HER) has been considered to be mostly promising for achieving green hydrogen production, and has been widely studied in acidic and alkaline solutions. In particular, HER in alkaline media has high potential to achieve large-scale hydrogen production because of the increased durability of electrode materials. However, for the currently most prominent catalyst Pt, its HER kinetics in an alkaline solution is generally 2–3 orders lower than that …


Stability Of A Solid Oxide Cell Stack Under Direct Internal-Reforming Of Hydrogen-Blended Methane, Ya-Fei Tang, An-Qi Wu, Bei-Bei Han, Hua Liu, Shan-Jun Bao, Wang-Lin Lin, Ming Chen, Wan-Bing Guan, Subhash C. Singhal 2024 Key Laboratory of Advanced Fuel Cells and Electrolyzers cell Technology of Zhejiang Province, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, Zhejiang, China

Stability Of A Solid Oxide Cell Stack Under Direct Internal-Reforming Of Hydrogen-Blended Methane, Ya-Fei Tang, An-Qi Wu, Bei-Bei Han, Hua Liu, Shan-Jun Bao, Wang-Lin Lin, Ming Chen, Wan-Bing Guan, Subhash C. Singhal

Journal of Electrochemistry

In this work, the long-term stability and degradation mechanism of a direct internal-reforming solid oxide fuel cell stack (IR-SOFC stack) using hydrogen-blended methane steam reforming were investigated. An overall degradation rate of 2.3%·kh–1 was found after the stack was operated for 3000 hours, indicating a good long-term stability. However, the voltages of the two cells in the stack were increased at the rates of 3.38 mV·kh–1 and 3.78 mV·kh–1, while the area specific resistances of the three metal interconnects in the stack were increased to 0.276 Ω·cm2, 0.254 Ω·cm2 and 0.249 Ω·cm2 …


Monodispersed Cu-Tcpp/Cu2O Hybrid Microspheres: A Superior Cascade Electrocatalyst Toward Co2 Reduction To C2 Products, Zi-Xuan Wan, Aidar Kuchkaev, Dmitry Yakhvarov, Xiong-Wu Kang 2024 New Energy Research Institute, School of Environment and Energy, South China University of Technology, Higher Education Mega Center, Guangzhou 510006, Guangdong, China

Monodispersed Cu-Tcpp/Cu2O Hybrid Microspheres: A Superior Cascade Electrocatalyst Toward Co2 Reduction To C2 Products, Zi-Xuan Wan, Aidar Kuchkaev, Dmitry Yakhvarov, Xiong-Wu Kang

Journal of Electrochemistry

The electrochemical conversion of carbon dioxide (CO2) into valuable chemicals is a feasible way to mitigate the negative impacts of overmuch CO2 emissions. Porphyrin-based metal organic frameworks (MOFs) are expected to be used for selective and efficient electrochemical CO2 reduction (ECR) with porous structure and ordered active sites. Herein, we report the synthesis of a monodispersed and spherical organic/inorganic hybrid Cu-TCPP@Cu2O electrocatalyst composed of Cu-TCPP (TCPP=tetrakis (4-carboxyphenyl) porphyrin) and Cu2O, where TCPP plays significant roles in regulating the morphology. In-situ formed Cu during ECR process in combination with Cu-TCPP (Cu-TCPP@Cu) can suppress …


De Novo Drug Design Using Transformer-Based Machine Translation And Reinforcement Learning Of An Adaptive Monte Carlo Tree Search, Dony Ang, Cyril Rakovski, Hagop S. Atamian 2024 Chapman University

De Novo Drug Design Using Transformer-Based Machine Translation And Reinforcement Learning Of An Adaptive Monte Carlo Tree Search, Dony Ang, Cyril Rakovski, Hagop S. Atamian

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The discovery of novel therapeutic compounds through de novo drug design represents a critical challenge in the field of pharmaceutical research. Traditional drug discovery approaches are often resource intensive and time consuming, leading researchers to explore innovative methods that harness the power of deep learning and reinforcement learning techniques. Here, we introduce a novel drug design approach called drugAI that leverages the Encoder–Decoder Transformer architecture in tandem with Reinforcement Learning via a Monte Carlo Tree Search (RL-MCTS) to expedite the process of drug discovery while ensuring the production of valid small molecules with drug-like characteristics and strong binding affinities towards …


Analyzing Novel Metal Alloys For Glucose Sensing And Electrocatalysis, Anna Grace Boddy 2024 Rowan University

Analyzing Novel Metal Alloys For Glucose Sensing And Electrocatalysis, Anna Grace Boddy

Theses and Dissertations

In pharmaceutical and medicinal chemistry, metals and metal alloys often receive less attention compared to biological or organic compounds due to many factors including toxicity in the body for drug development or the cost of these metals. However, metals can play an important role in pharmaceuticals, having an impact on original cancer drugs, such as platinum used for head and neck tumors. Electrocatalysis is also another topic that receives less attention over topics such as chromatography in pharmaceuticals due to its potential toxic catalysts and voltages that could be harmful to the body. Electrocatalytic sensors can play an important role …


Development Of Stochastic And Time-Dependent Quantum Chemical Methods For Accurate Description Of Light-Matter Interactions With Applications In Photoionization And Inverse Photoemission In Nanomaterials, Nicole Spanedda 2024 Syracuse University

Development Of Stochastic And Time-Dependent Quantum Chemical Methods For Accurate Description Of Light-Matter Interactions With Applications In Photoionization And Inverse Photoemission In Nanomaterials, Nicole Spanedda

Dissertations - ALL

There are three main focuses of this work. First, the theoretical details of the Stratified Stochastic Enumeration of Molecular Orbitals (SSE-MO) method is presented, along with its application for calculating ionization potentials (IPs) of quantum dots. The SSE-MO method can readily be applied for the purpose of efficiently and accurately calculating ionization potentials, by constructing the frequency-dependent self-energy operator and then subsequently, solving the associated Dyson equation. Constructing the frequency-dependent self-energy operator is challenging because the scaling of the computational cost with respect to system size, becomes prohibitive for large systems, such as quantum dots. This is due to the …


Synthetic Studies On Ship Modulators, Hif-2Α Antagonists, And New Rhodium Carboxylate Catalysts, Angela Pacherille 2024 Syracuse University

Synthetic Studies On Ship Modulators, Hif-2Α Antagonists, And New Rhodium Carboxylate Catalysts, Angela Pacherille

Dissertations - ALL

The PI3K pathway is a major cell signaling axis in eukaryotic cells. This pathway employs the second messenger, inositol phospholipid PI(3,4,5)P3, which is responsible for activating Akt and other kinases creating a cascade of signals. The enzyme, SH2-containing inositol-5’-phosphatase (SHIP), plays a key role in this pathway by maintaining the delicate balance of PI(3,4,5)P3. Modulation of SHIP activity through the use of small molecule inhibitors may be utilized for the treatment of certain types of cancer, Alzheimer’s disease, and diabetes. A high-throughput screen identified the small molecule SHIP1 inhibitor, NSC23922, a mixture of 3α- and 3β-aminocholestane. These diastereomers were synthesized …


Biochemical And Structural Analysis Of The Bacterial Enzyme Succinyl-Diaminopimelate Desuccinylase (Dape) From Acinetobacter Baumannii, Emma H. Kelley, George Minasov, Katherine Konczak, Ludmilla Shuvalova, Joseph S. Brunzelle, Shantanu Shukla, Megan Beulke, Teerana Thabthimthong, Ken W. Olsen, Nicole L. Inniss, Karla JF Satchell, Daniel P. Becker Ph.D. 2024 Loyola University Chicago

Biochemical And Structural Analysis Of The Bacterial Enzyme Succinyl-Diaminopimelate Desuccinylase (Dape) From Acinetobacter Baumannii, Emma H. Kelley, George Minasov, Katherine Konczak, Ludmilla Shuvalova, Joseph S. Brunzelle, Shantanu Shukla, Megan Beulke, Teerana Thabthimthong, Ken W. Olsen, Nicole L. Inniss, Karla Jf Satchell, Daniel P. Becker Ph.D.

Chemistry: Faculty Publications and Other Works

There is an urgent need for new antibiotics given the rise of antibiotic resistance, and succinyl-diaminopimelate desuccinylase (DapE, E.C. 3.5.1.18) has emerged as a promising bacterial enzyme target. DapE from Haemophilus influenzae (HiDapE) has been studied and inhibitors identified, but it is essential to explore DapE from different species to assess selective versus broad-spectrum therapeutics. We have determined the structure of DapE from the ESKAPE pathogen Acinetobacter baumannii (AbDapE) and studied inhibition by known inhibitors of HiDapE. AbDapE is inhibited by captopril and sulfate comparable to HiDapE, but AbDapE was not significantly …


Table Of Contents, 2024 University of South Carolina

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


Virgin Coconut Oil (Vco) Supplementation Relieves Symptoms And Inflammation Among Covid-19 Positive Adults: A Single-Blind Randomized Trial, Imelda Angeles-Agdeppa, Jacus S. Nacis, Fabian M. Dayrit, Keith V. Tanda 2024 Food and Nutrition Research Institute

Virgin Coconut Oil (Vco) Supplementation Relieves Symptoms And Inflammation Among Covid-19 Positive Adults: A Single-Blind Randomized Trial, Imelda Angeles-Agdeppa, Jacus S. Nacis, Fabian M. Dayrit, Keith V. Tanda

Chemistry Faculty Publications

A clinical study conducted in 2020 showed that virgin coconut oil (VCO) has been found effective in the rapid relief of COVID-19 symptoms and normalization of the C-reactive protein (CRP) concentration among probable and suspected cases of COVID-19. This present study aimed to validate those results and to evaluate the effects of VCO among COVID-19 patients through a 28-day randomized, single-blind trial conducted among 76 SARS-CoV-2 RT-PCR (reverse transcription-polymerase chain report)-confirmed adults, with VCO given as a COVID-19 adjunct therapy. The results showed that VCO recipients were free from symptoms and had normal CRP concentrations by day 14. In comparison, …


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 2024 Missouri University of Science and Technology

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, …


Luminescent Group 11 Metal (I) Chalcogen Clusters With A Conjugated Diphosphine Ligand, Kai Yu Jeffrey Li 2024 Western University

Luminescent Group 11 Metal (I) Chalcogen Clusters With A Conjugated Diphosphine Ligand, Kai Yu Jeffrey Li

Electronic Thesis and Dissertation Repository

Polynuclear Au (I) complexes exhibit rich photochemical properties and have the potential to find applications as molecular sensors, switches, or energy storage devices. Although dinuclear Au (I) complexes with bridging diphosphines have been extensively examined, most of those reported do not contain rigid-diphosphine ligands.

This thesis examines how the rigid diphosphine, 4,6-bis(diphenylphosphino)dibenzofuran (DBFDP) can be incorporated for the controlled assembly of photoluminescent gold (I) metal – chalcogenolate (chalcogenolate = RS-, RSe-; R = organic moiety) and gold (I) chalcogenide (chalcogenide = S2-, Se2-) bimetallic complexes. In these studies, the chalcogen …


Cyclobutanone Inhibitors Of Diaminopimelate Desuccinylase (Dape) As Potential New Antibiotics, Thahani Shifna Habeeb Mohammad, Emma H. Kelley, Cory T. Reidl Dr., Katherine Konczak, Megan Beulke, Janielle Javier, Ken W. Olsen, Daniel P. Becker Ph.D. 2024 Loyola University Chicago

Cyclobutanone Inhibitors Of Diaminopimelate Desuccinylase (Dape) As Potential New Antibiotics, Thahani Shifna Habeeb Mohammad, Emma H. Kelley, Cory T. Reidl Dr., Katherine Konczak, Megan Beulke, Janielle Javier, Ken W. Olsen, Daniel P. Becker Ph.D.

Chemistry: Faculty Publications and Other Works

Based on our previous success in using cyclobutanone derivatives as enzyme inhibitors, we have designed and prepared a 37-member library of α-aminocyclobutanone amides and sulfonamides, screened for inhibition of the bacterial enzyme diaminopimelate desuccinylase (DapE), which is a promising antibiotic target, and identified several inhibitors with micromolar inhibitory potency. Molecular docking suggests binding of the deprotonated hydrate of the strained cyclobutanone, and thermal shift analysis with the most potent inhibitor (3y, IC50 = 23.1 µM) enabled determination of a Ki value of 10.2 +/− 0.26 µM and observed two separate Tm values for H. influenzae DapE (HiDapE).


Effect Of Passivation And Surface Treatment Of A Laser Powder Bed Fusion Biomedical Titanium Alloy On Corrosion Resistance And Protein Adsorption, Saman Nikpour, Jeffrey Henderson, Sina Matin, Heng-Yong Nie, Jonas Hedberg, Vahid Dehnavi, Yara Hosein, David Holdsworth, Mark Biesinger, Yolanda Hedberg 2024 Western University

Effect Of Passivation And Surface Treatment Of A Laser Powder Bed Fusion Biomedical Titanium Alloy On Corrosion Resistance And Protein Adsorption, Saman Nikpour, Jeffrey Henderson, Sina Matin, Heng-Yong Nie, Jonas Hedberg, Vahid Dehnavi, Yara Hosein, David Holdsworth, Mark Biesinger, Yolanda Hedberg

Chemistry Publications

The biomedical titanium alloy Ti6Al4V has excellent corrosion resistance and biocompatibility and is, therefore, widely used in orthopedic and orthodontic implants. Biomedical implants are increasingly fabricated by additive manufacturing, such as laser powder bed fusion (LPBF). These manufacturing protocols often include sandblasting, surface finish, and passivation. This study aims to investigate the effect of different surface finishes and the commonly used ASTM F86-13 nitric acid passivation for LPBF Ti6Al4V on its corrosion resistance, metal release, and surface changes in benign (bovine serum albumin in a pH 7.4 buffer) and harsh (hydrochloric acid at pH 1.5) solutions using various electrochemical and …


Exploring The Reactivity Of Metal-Ligand Cooperative Complexes With Dioxazolones, Terminal Alkynes, And 2-Ethynylbenzyl Alcohol, megan A. Hoffer Miss 2024 Western University

Exploring The Reactivity Of Metal-Ligand Cooperative Complexes With Dioxazolones, Terminal Alkynes, And 2-Ethynylbenzyl Alcohol, Megan A. Hoffer Miss

Electronic Thesis and Dissertation Repository

N-Acyl ketenimines were attempted to be synthesized catalytically by [Ru(Cp)(PPh2NPh2)(NCMe)]PF6 with phenylacetylene and 3-phenethynyl-1,2,4-dioxazol-5-one. Trapping agents were employed to identify the major product of the reaction, as many products were formed. [Ru(Cp)(PPh2NPh2)(NCMe)]PF6 reacts with 3-phenethynyl-1,2,4-dioxazol-5-one generating an isocyanate via the Curtius rearrangement, confirmed by a forced Curtius rearrangement with 3-phenethynyl-1,2,4-dioxazol-5-one and 1,2,4-triazole. Rates of vinylidene formation using [Ru(Cp)(PPh2NPh2)(NCMe)]PF6 and various terminal alkynes of different sterics and electronics were evaluated using a Hammett analysis for and simple rate comparisons. …


Genome-Wide Profiling Of Novel Conserved Zea Mays Micrornas Along With Their Key Biological, Molecular And Cellular Targets And Validation Using An Rt-Pcr Platform, Abdul Baqi, Sami Ullah, Muhammad Ayub, Muhammad Zafar Saleem, Ghulam Mustafa Khan, Asad Ullah 2024 Colleges, Higher and Technical Education Department, Balochistan, Quetta-Pakistan

Genome-Wide Profiling Of Novel Conserved Zea Mays Micrornas Along With Their Key Biological, Molecular And Cellular Targets And Validation Using An Rt-Pcr Platform, Abdul Baqi, Sami Ullah, Muhammad Ayub, Muhammad Zafar Saleem, Ghulam Mustafa Khan, Asad Ullah

Karbala International Journal of Modern Science

MicroRNAs (miRNAs), which are typically non-coding RNAs that start off as endogenous molecules and regulate post-transcriptional levels of gene expression by mRNA degradation or translational repression. They are 18–26 nucleotides long, evolutionarily conserved and essential for predicting novel miRNAs in a variety of plants. Maize (Zea mays) is a significant food and forage crop in the globe today. In the present study, many maize miRNAs have been found to be associated with both plant development and responses to stress. In this study, 66 unique conserved maize miRNAs from 65 different miRNA families were predicted using several genomics-based methods …


The Role Of Cu (0-0.03) And Zn (0.02) Substitution On The Structural, Optical And Magnetic Properties Of Mgo Nanoparticles, S. Naseem Shah, Atif Dawar, Yasmeen Bibi, Abid Ali, M. Asif Siddiqui 2024 Department of Physics, Federal Urdu University of Arts, Science and Technology, Karachi, Pakistan,

The Role Of Cu (0-0.03) And Zn (0.02) Substitution On The Structural, Optical And Magnetic Properties Of Mgo Nanoparticles, S. Naseem Shah, Atif Dawar, Yasmeen Bibi, Abid Ali, M. Asif Siddiqui

Karbala International Journal of Modern Science

The co-precipitation method was employed to prepared Cu (0-0.03) and Zn (0.02) dual doped MgO nanoparticles. The secondary phases of CuO and Cu2O were observed along with the cubical phase of MgO. The doping induced effect was noticed for the crystallite size variations (14.39-19.89 nm). The morphological transformation from spherical to rice-like shape were observed. The estimated values of optical bandgap (4.66-4.45 eV) were well correlated with the crystallite size and dopant concentrations. The ferromagnetic ordering was observed at room temperature and the enchantment in the coercivity (142.27 Oe) with Zn (0.02) doping was noticed. Such type of …


Hyperstructures In Chemical Hyperstructures Of Redox Reactions With Three And Four Oxidation States, Fakhry Asad Agusfrianto, Sonea Andromeda, Mariam Hariri 2024 State University of Jakarta

Hyperstructures In Chemical Hyperstructures Of Redox Reactions With Three And Four Oxidation States, Fakhry Asad Agusfrianto, Sonea Andromeda, Mariam Hariri

All Works

Hyperstructures find numerous applications across various disciplines. One notable application is in chemistry, particularly in the context of chemical reactions. In 2014, Davvaz introduced the concept of bi-hyperstructures, but their application specifically in chemical reactions, has yet to be thoroughly explored in previous studies. Thus, the primary aim of this paper is to examine and analyze the different types of bi-hyperstructures present within chemical hyperstructures. The scope of this study focuses on two types of chemical hyperstructures: redox reactions and reactions in electrochemical cells. Within these chemical hyperstructures, we investigate the possibility of bi-hyperstructures among bi-semihypergroups, bi-hypergroups, bi-H_v-semigroups, and bi-H_v-groups. …


Predicting The Reactions Of Cs2, Ocs, And Co2 With Group Iv And Group Vi Transition Metal Oxides, Marissa Shea Blair, Zachary Ryan Lee PhD, David A. Dixon PhD 2024 Morehead State University

Predicting The Reactions Of Cs2, Ocs, And Co2 With Group Iv And Group Vi Transition Metal Oxides, Marissa Shea Blair, Zachary Ryan Lee Phd, David A. Dixon Phd

Posters-at-the-Capitol

Building on a recent serious of high level electronic structure studies of Lewis acid gas reactions with metal oxide sorbents, DFT (B3LYP and ωB97X-D) and CCSD(T) methods are being used to predict the Lewis acid-base addition (physisorption) and formation of metal oxide carbonate/thiocarbonate formation (chemisorption) reactions of CS2, OCS, and CO2 of CS2, OCS, and CO2 with Group IV (MO2)n and Group VI (MO3)n (n = 1 - 3) nanoclusters. For the Group IV oxides, chemisorption to form terminal carbonates and thiocarbonates is predicted to be the most favored, with thiocarbonate ligand binding energies slightly more exothermic than their carbonate …


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