Physical Chemistry Commons^™

Highly Sensitive Detection Of Strontium Ions Using Metal-Organic Frameworks Functionalized Solid-State Nanochannels, Xu-Gang Wang, Zheng-Xu He, De-Fang Ding, Xue-Qin Luo, Li Dai, Wei-Qi Zhang, Qun Ma, Yu Huang, Fan Xia

Journal of Electrochemistry

Strontium-90, a highly radioactive isotope, accumulates within the food chain and skeletal structure, posing significant risks to human health. There is a critical need for a sensitive detection strategy for Strontium-90 in complex environmental samples. Here, solid-state nanochannels, modified with metal-organic frameworks (MOF) and specific aptamers, were engineered for highly sensitive detection of strontium ion (Sr²⁺). The synergistic effect between the reduced effective diameter of the nanochannels due to MOF and the specific binding of Sr²⁺ by aptamers amplifies the difference in ionic current signals, enhancing detection sensitivity significantly. The MOF-modified nanochannels exhibit highly sensitive detection of …

Goodbye With Tears! Deep Condolences To Academician Zhao-Wu Tian!, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The Adviser Of Journal Of Electrochemistry Professor Christian Amatore Received The Chinese Government Friendship Award, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Effect Of Electronegativity On Environmentally Persistent Free Radical (Epfr) Formation, Persistence, And Toxicity On Transition Metal Oxides, Syed Monjur Ahmed

LSU Doctoral Dissertations

Environmentally persistent free radicals (EPFRs) are a group of emerging environmental pollutants. Owing to their resonance structures, EPFRs have significantly higher lifetimes than typical free radicals, and can induce the formation of reactive oxygen species (ROS) known to cause pulmonary and cardiovascular dysfunction. EPFRs form by the adsorption of organic precursors on a transition metal oxide (TMO) surface and exhibit enough stability to cause negative health and environmental effects. While aromatic and substituted aromatic precursors form EPFRs on TMO surface at elevated temperatures and numerous substituted organics are ubiquitous in various industrial processes and household products, studies have largely overlooked …

Substrate Interference And Strain In The Second-Harmonic Generation From Mose2 Monolayers, Sudeep Puri, Sneha Patel, Jose Luis Cabellos, Luis Enrique Rosas-Hernandez, Kaitlin Reynolds, Hugh O.H. Churchill, Salvador Barraza-Lopez, Bernardo S. Mendoza, Hiroyuki Nakamura

Physics Faculty Publications and Presentations

Nonlinear optical materials of atomic thickness, such as non-centrosymmetric 2H transition metal dichalcogenide monolayers, have a second-order nonlinear susceptibility (χ⁽²⁾) whose intensity can be tuned by strain. However, whether χ⁽²⁾ is enhanced or reduced by tensile strain is a subject of conflicting reports. Here, we grow high-quality MoSe₂ monolayers under controlled biaxial strain created by two different substrates and study their linear and nonlinear optical responses with a combination of experimental and theoretical approaches. Up to a 15-fold overall enhancement in second-harmonic generation (SHG) intensity is observed from MoSe₂ monolayers grown on SiO₂ when …

Selective Hydrolysis Of Heterooligosaccharides By Poly(Acrylate) Gel Catalysts, Susanna Striegler

Chemistry & Biochemistry Faculty Publications and Presentations

Natural glycoside hydrolases are distinguished by their ability to hydrolyze glycosidic bonds with high efficiency and selectivity. This feature is achieved through specific interactions in the active site during catalytic turnover and is not just facilitated by two catalytically active amino acids. Intrigued by these features, a biomimetic α-galactosidase mimic was developed using an empirical catalyst design. Starting with a library of 704 gels of which 250 have a unique composition synthesized from TEGDMA cross-linker and 7 selected monomers, 238 monomodal gels are evaluated for their ability to hydrolyze the 1→6 α-glycosidic bond in the disaccharide melibiose. Among those, 13 …

Aging Characteristics Of Lithium-Ion Battery Under Fast Charging Based On Electrochemical-Thermal-Mechanical Coupling Model, Dong-Xu Zuo, Pei-Chao Li

Journal of Electrochemistry

The aging characteristics of lithium-ion battery (LIB) under fast charging is investigated based on an electrochemical-thermal-mechanical (ETM) coupling model. Firstly, the ETM coupling model is established by COMSOL Multiphysics. Subsequently, a long cycle test was conducted to explore the aging characteristics of LIB. Specifically, the effects of charging (C) rate and cycle number on battery aging are analyzed in terms of nonuniform distribution of solid electrolyte interface (SEI), SEI formation, thermal stability and stress characteristics. The results indicate that the increases in C rate and cycling led to an increase in the degree of nonuniform distribution of SEI, and thus …

Optimization Of Channel Structure Of Alkaline Water Electrolyzer By Using An Expanded Mesh As A Bipolar Plate, Hai-Yan Xiong, Zhen-Xiao Zhu, Xin Gao, Chen-Ming Fan, Hui-Bao Luan, Bing Li

Journal of Electrochemistry

Alkaline water electrolysis (AWE) is the most mature technology for hydrogen production by water electrolysis. Alkaline water electrolyzer consists of multiple electrolysis cells, and a single cell consists of a diaphragm, electrodes, bipolar plates and end plates, etc. The existing industrial bipolar plate channel is concave-convex structure, which is manufactured by complicated and high-cost mold punching. This structure still results in uneven electrolyte flow and low current density in the electrolytic cell, further increasing in energy consumption and cost of AWE. Thereby, in this article, the electrochemical and flow model is firstly constructed, based on the existing industrial concave and …

Chinese Chemical Society: First Young Scholars' Symposium On Electrosynthesis Held Successfully, Chinese Society Of Electrochemistry (Cse)

Journal of Electrochemistry

No abstract provided.

Zhong-Qun Tian, Academician And Honorary Member Of Electrochemistry Committee Chinese Chemical Society, Achieved "Raman Lifetime Award", Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

2024 Tianmulake Advanced Anode Materials Innovation Forum And Sixth National Conference Of Advanced Battery Failure Analysis And Testing Technology Concluded Successfully, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Electronic Communication Between Co And Ru Sites Decorated On Nitrogen-Doped Carbon Nanotubes Boost The Alkaline Hydrogen Evolution Reaction, Meng-Ting Gao, Ying Wei, Xue-Meng Hu, Wenj-Jie Zhu, Qing-Qing Liu, Jin-Yuan Qiang, Wan-Wan Liu, Ying Wang, Xu Li, Jian-Feng Huang, Yong-Qiang Feng

Journal of Electrochemistry

Designing highly efficient Pt-free electrocatalysts with low overpotential for an alkaline hydrogen evolution reaction (HER) remains a significant challenge. Here, a novel and efficient cobalt (Co), ruthenium (Ru) bimetallic electrocatalyst composed of CoRu nanoalloy decorated on the N-doped carbon nanotubes (CoRu@N-CNTs), was prepared by reacting fullerenol with melamine via hydrothermal treatment and followed by pyrolysis. Benefiting from the electronic communication between Co and Ru sites, the as-obtained CoRu@N-CNTs catalyst exhibited superior electrocatalytic HER activity. To deliver a current density of 10 mA·cm^–2, it required an overpotential of merely 19 mV along with a Tafel slope of 26.19 mV·dec …

Destiny Functional Theory (Dft) Study Of Water Autoionization In Solvated Clusters, Kurt Kolasinski, Alex M. Salkowski

Chemistry Faculty Publications

We have implemented a cluster-continuum method using density functional theory (DFT) to model water clusters and various charged species derived from water. Two aims of this study are to determine the minimal basis required for proper modeling of water autoionization and the minimum number of explicit water molecules that are required to properly model the energetics of solvation. The thermodynamics of water autoionization converge following a modified power law to deliver chemically accurate values of the Gibbs energy change for autoionization with tractably small clusters. Convergence is slower and not exponential as assumed in previous work. We identify the n …

Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. The aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement's aggregate by solvent extraction. Solvent extraction will, at …

Nuclear Magnetic Resonance (Nmr) Assessment Of Bio And Crude Oil-Based Rejuvenation, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt binders in pavements lose their stability through aging and eventually fail in the field. Using nuclear magnetic resonance (NMR) to monitor the primary longitudinal relaxation time of asphalt samples and the ratio of material that carries this primary relaxation time has been shown to indicate the impact of ultraviolet (UV) radiation on the aging of asphalt pavements. Longitudinal NMR relaxation was used to investigate two types of proposed asphalt rejuvenators, a bio-oil-based rejuvenator and a crude-oil-based rejuvenator. Two different binders with the performance grades (PG) 64-22 and 76-22 were considered for their interactions with the rejuvenators. After 72 h …

Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. the aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement's aggregate by solvent extraction. Solvent extraction will, at …

Incorporating Solvation Thermodynamic Mapping In Computer-Aided Drug Design, Yeonji Ji

Dissertations, Theses, and Capstone Projects

Advancements in computational techniques have revolutionized structure-based drug design, substantially improving the efficiency and effectiveness of the drug discovery process by reducing time, costs, and labor requirements. These advancements include various methods, such as investigating small molecule ligands binding to proteins, exploring alternative protein conformations, and solvation mapping on the protein surfaces. Among these methods, understanding the correlation between protein-ligand binding and the role of solvation is important.

A fundamental concept in protein-ligand binding is shape and electrostatic complementarity, which is complicated by the inherent flexibility of proteins. In the absence of small molecule ligands, proteins are complementary to surface …

Deciphering The Interdomain Coupling In A Gram-Negative Bacterial Membrane Insertase, Adithya Polasa, Shadi A. Badiee, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

YidC is a membrane protein that plays an important role in inserting newly generated proteins into lipid membranes. The Sec-dependent complex is responsible for inserting proteins into the lipid bilayer in bacteria. YidC facilitates the insertion and folding of membrane proteins, both in conjunction with the Sec complex and independently. Additionally, YidC acts as a chaperone during the folding of proteins. Multiple investigations have conclusively shown that Gram-positive bacterial YidC has Sec-independent insertion mechanisms. Through the use of microsecond-level all-atom molecular dynamics (MD) simulations, we have carried out an in-depth investigation of the YidC protein originating from Gram-negative bacteria. This …

Winning Results Of The 2Nd Xiamen University Short Video Abstract Contest For Science And Technology Papers, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Winning Works From Journal Of Electrochemistry: The 2Nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.