Article
Chemistry, Physical
Rekha Gaba, Sapna Devi, Amalendu Pal, Dinkar Sharma, Harsh Kumar
Summary: The thermodynamic and physicochemical properties of lysine and arginine in aqueous solutions of 1-heptyl-3-methyl imidazolium tetrafluoroborate [C(7)mim][BF4] were studied. Density and speed of sound data were measured, and various parameters such as limiting partial molar volume, limiting partial molar compression, and apparent molar expansivity were calculated. The structure making and structure breaking ability of the solute were discussed based on the evaluation of these parameters.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Leiqiang Zhao, Ze Zhang, Jian Xu, Yu Ji, Jianxin Cai, Rongbin Zhang, Zhenyu Yang
Summary: This study investigated the volumetric and viscosity behaviors of three ammonium salts in acetonitrile solutions, revealing their interactions at different temperatures and providing valuable insights for understanding the interactions between ions and solvents in new electrolyte systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Multidisciplinary Sciences
Andrey Malkovskiy, Ariane Tom, Lydia-Marie Joubert, Zhenan Bao
Summary: CLARITY is a tissue preservation and optical clearing technique that forms a hydrogel directly within ex vivo brain tissue. In this study, Raman spectroscopy and rheology were used to evaluate the extent of polymer gel formation and crosslinking in CLARITY samples with different concentrations of acrylamide monomer (AAm). The results showed that the presence and distribution of polyacrylamide in individual neurons could be observed using Raman spectroscopy. In addition, lower concentrations of AAm resulted in a decrease in shear elastic modulus, indicating higher sample permeability and protein retention.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Rekha Gaba, Jigyasa Malhotra, Amalendu Pal, Dinkar Sharma, Harsh Kumar
Summary: The molecular interactions in ternary mixtures containing a common solvent with amino acids were studied by measuring densities and speed of sound at different temperatures. Various properties such as apparent molar volume, isentropic compression, molar expansion, and hydration numbers were calculated to understand the solvation behavior and interactions in the solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Hisashi Matsuyama, Kota Motoyoshi
Summary: The empirical equation relating limiting ionic molar conductivity (lambda(infinity)) to self-diffusion coefficient (D) in water and methanol was investigated in an acetonitrile solution, showing excellent agreement with experimental data. Molecular dynamics simulations successfully obtained self-diffusion coefficients at different temperatures, demonstrating the value of combining this method with simulations for calculating D and s.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Yung-Chi Yang, Jyh-Ping Hsu
Summary: The feasibility of detecting trace concentrations of multivalent ions using nanopore-based ionic current rectification (ICR) in the presence of impurity ions is assessed in this study. The lower the background ion concentration, the better the detection performance. The optimal detection ranges for Cu2+ and Fe3+ are [0.5, 1000 mu M] and [1, 1000 nM], respectively, with detection limits of 0.5 mu M for Cu2+ and 1 nM for Fe3+. The study also considers the presence of multiple ions, which can lead to complicated ICR behaviors.
Article
Biochemistry & Molecular Biology
Jun-ichi Horinaka, Soma Ogawa
Summary: The effects of gelation concentration (c0) on the cyclic deformation behavior of agarose hydrogels were investigated. Agarose hydrogels prepared at c0 = 10 g L-1 (A10) exhibited smaller Young's modulus than those prepared at c0 = 30 g L-1 (A30), even when the agarose concentration was the same at 50 g L-1. Additionally, A10 showed a stronger tendency to exhibit residual strain in cyclic deformation curves compared to A30. These findings can be explained by the gelation mechanism specific to agarose, where agarose helices aggregate via hydrogen bonding to form crosslinks. It was observed that the helix content just after gelation increased with c0, while the helix content for A10 was higher than that for A30 at 50 g L-1. The cyclic deformation behavior and Young's modulus of agarose hydrogels primarily reflect the network structure determined by c0, as lower helix content at c0 for A10 resulted in less stable agarose helix aggregates.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Acoustics
Yao Yao, Rong Han, Feng Li, Juming Tang, Yang Jiao
Summary: The influence of different NaCl concentrations and ultrasound on salt diffusion and other kinetic parameters in the brining process of tuna was investigated. A 5% brine concentration resulted in the highest yield and the highest salt effective diffusion coefficient.
ULTRASONICS SONOCHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Haohao Fan, Kai Wang, Xiaowei Zhai, Lihong Hu
Summary: The study found that the reburning characteristics of oxidized coal are influenced by oxygen concentration, with coal pre-oxidized at 15% oxygen concentration being more prone to combustion. Key active groups affecting weight change during combustion were identified as -CH3 and C-O, providing guidance for preventing and controlling coal spontaneous combustion during re-mining and unsealing of closed fire areas.
Article
Chemistry, Physical
Xizhuo Wu, Cheng Zhai, Yangfeng Zheng, Aikun Chen, Xu Yu, Jizhao Xu, Yong Sun, Yuzhou Cong, Wei Tang, Xiaoqin Liu
Summary: This study investigates the mechanism of the effect of salt ion concentration on the stability of C/W foam fracturing fluids through experiments and molecular dynamics simulations. The results demonstrate that salt ions can reduce the surface tension and change the viscoelastic modulus of the C/W foam. Sodium ions improve the stability of the C/W foam fracturing fluid. The stability of the C/W foam decreases as the concentration of magnesium or calcium ions increases, reaching the lowest point at a concentration of 400 mg/L.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Thermodynamics
Jian Xu, Leiqiang Zhao, Donggen Xiong, Ze Zhang, Ji Yu, Jianxin Cai, Zhenyu Yang
Summary: The study measured the densities and viscosities of three phosphonium tetrafluoroborate compounds in acetonitrile solutions, along with calculating important parameters to discuss ion-ion and ion-solvent interactions. The results indicate that the hydrodynamic volume of ions decreases with increasing temperature in the solution, with the solutes acting as structure makers in the medium.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Environmental Sciences
Runhua Su, Lina Zhou, Lili Ding, Bo Fu, Huimin Fu, Yanan Shuang, Lin Ye, Haidong Hu, Haijun Ma, Hongqiang Ren
Summary: High concentrations of ammonium, nitrite, and nitrate can inhibit anaerobic wastewater treatment. The microbial mechanism in anaerobic sludge under such inhibition is not well understood. This study compared the shifts of microbial communities in anaerobic sludge under increasing levels of nitrite, nitrate, and ammonium ions. It was found that bacteria genera Kosmotoga and Brooklawnia dominated in all three high-stress inhibitory systems. Network analysis and redundancy analysis showed that nitrate and nitrite treatments decreased the modularity of anaerobic microorganisms.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Minsung Hong, Ho Lun Chan, John R. Scully, Peter Hosemann
Summary: The corrosion properties of Alloy 625 in molten FLiNaK salt were studied at 700 degrees C as a function of tellurium concentrations. It was found that under specific tellurium concentrations, tellurium-induced corrosion can be suppressed and protect the alloy against corrosion. The sample with 0.1 wt.% tellurium showed the lowest corrosion depth and mass loss, with the highest charge transfer resistance.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Xiaoxiao Wang, Jun Huang, Yuwen Liu, Shengli Chen
Summary: This article explores the mechanism of slow lithium ion transport kinetics in LiFePO4 and identifies the coupled transfer between electrons and ions and the phase segregation of Li+ as the main reasons. Through model Hamiltonian analysis and DFT calculations, it is revealed that electrostatic interactions play a crucial role in this process.
Article
Thermodynamics
Shugang Li, Dongjie Yan, Min Yan, Yang Bai, Bo Zhao, Hang Long, Haifei Lin
Summary: The injection of surfactant solutions into coal seams is an important technical means to prevent coal mine disasters. This study investigates the microkinetic mechanism of inhibiting gas desorption in coal by injecting different concentrations of alkyl poly glucoside surfactant (APG) into CH4-containing coal. The results reveal that with the increase in APG concentration, the diffusion coefficient of CH4 decreases gradually, and the interaction energy between APG and CH4-containing coal decreases, effectively inhibiting the diffusion of CH4 in coal.
Article
Materials Science, Biomaterials
Tzu-Yang Lin, Kuo-Chen Wei, Shin-Pon Ju, Chiung-Yin Huang, Hung-Wei Yang
JOURNAL OF MATERIALS CHEMISTRY B
(2018)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Cheng-Chia Yang
COMPUTATIONAL MATERIALS SCIENCE
(2018)
Article
Nanoscience & Nanotechnology
Aditi Roy, Shin-pon Ju, Shiliang Wang, Han Huang
Article
Nanoscience & Nanotechnology
Jiantong Dong, Ryan Y. Zhang, Na Sun, Matthew Smalley, Zipeng Wu, Anqi Zhou, Shih-Jie Chou, Yu Jen Jan, Peng Yang, Lirong Bao, Dongping Qi, Xinghong Tang, Patrick Tseng, Yue Hua, Dianwen Xu, Rueihung Kao, Meng Meng, Xirun Zheng, Ying Liu, Tatyana Vagner, Xiaoshu Chai, Dongjing Zhou, Mengyuan Li, Shih-Hwa Chiou, Guangjuan Zheng, Dolores Di Vizio, Vatche G. Agopian, Edwin Posadas, Steven J. Jonas, Shin-Pon Ju, Paul S. Weiss, Meiping Zhao, Hsian-Rong Tseng, Yazhen Zhu
ACS APPLIED MATERIALS & INTERFACES
(2019)
Article
Chemistry, Physical
Shin-Pon Ju, Jia-Wei Su, Che-Hsin Lin, Hsing-Yin Chen
APPLIED SURFACE SCIENCE
(2019)
Article
Materials Science, Multidisciplinary
Po-Yu Yang, Shin-Pon Ju, Hua-Sheng Hsieh, Jenn-Sen Lin, Jin-Yuan Hsieh
COMPUTATIONAL MATERIALS SCIENCE
(2019)
Article
Materials Science, Biomaterials
Hung-Wei Yang, Shin-Pon Ju, Hsing-Yin Chen, Yi-Chi Cheng, Wen-Lin Hsu
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2019)
Article
Materials Science, Multidisciplinary
Chia-Hao Su, Hui-Lung Chen, Shin-Pon Ju, Bo-Yuan Liao, Cheng-Tang Pan
MATERIALS RESEARCH EXPRESS
(2019)
Article
Physics, Condensed Matter
Shin-Pon Ju, I-Jui Lee, Chen-Chun Li, Huai-Ting Shih, Wen-Zhi Wang
Summary: This study investigates the configurational entropy effect on the thermal and mechanical properties of Pt1Pd1Rh1Co1 and Pt41Pd18Rh5Co32 face-centered cubic high-entropy alloys through molecular dynamics simulation. The results show that the local structures around Co atoms become more distorted above certain temperatures for both alloys. The diffusion barriers and pre-exponential factors in Pt1Pd1Rh1Co1 are higher than those in Pt41Pd18Rh5Co32, and the ultimate and yielding stresses are also higher in Pt1Pd1Rh1Co1. Additionally, Pt1Pd1Rh1Co1 has a higher Young's modulus compared to Pt41Pd18Rh5Co32.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Huai-Ting Shih, Hsing-Yin Chen, Wen-Zhi Wang
Summary: The mechanical responses of Al20.4Mo10.5Nb22.4Ta10.1-Ti17.8Zr18.8 refractory high entropy alloy nanopillars with crystallographic orientations [001], [110], and [111] under uniaxial compression were investigated using molecular dynamics simulation. The results showed that the [001]-orientated nanopillar had the widest elastic deformation regime, while the [111]-orientated nanopillar had the highest strength. Different orientations exhibited different deformation mechanisms.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Chao-Chuan Huang, Hsing-Yin Chen
Summary: Amorphous boron nitride (a-BN) is a promising ultralow-dielectric-constant material for interconnect isolation in integrated circuits. This study establishes a deep learning potential (DLP) for different forms of boron nitride and uses molecular dynamics simulations to investigate the mechanical behaviors of a-BN. The results reveal the structure-property relationships of a-BN, providing useful insights for integrating it in device applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Chao-Hsu Yang, Hsing-Yin Chen
Summary: In this study, the mechanical properties and self-healing behavior of FCC and BCC dual-phase high-entropy alloy multilayers were investigated using molecular dynamics simulations. The multilayers exhibited ductile behavior under uniaxial tensile loading and showed self-healing ability, which was influenced by the interlayer distance between BCC/FCC interfaces.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Nahid Kaisar, Anupriya Singh, Po-Yu Yang, Yu-Ting Chen, Shenghan Li, Chun-Wei Pao, Shankay Jou, Chih-Wei Chu
JOURNAL OF MATERIALS CHEMISTRY A
(2020)
Article
Chemistry, Multidisciplinary
Chia-Hao Su, Hui-Lung Chen, Shih-Jye Sun, Shin-Pon Ju, Tsu-Hsun Hou, Che-Hsin Lin