Article
Polymer Science
Boxin Xue, Weidong Cui, Shengyang Zhou, Qifeng Zhang, Jifu Zheng, Shenghai Li, Suobo Zhang
Summary: A novel imidazolium-ionized monomer was used to prepare poly(arylene-imidazolium) polymers with excellent stability in high alkaline conditions. The polymer membranes showed high hydroxide conductivities and chemical stability even after treatment in a 10 M NaOH solution at 80 degrees C, demonstrating a simple and cost-effective strategy for preparation.
Article
Polymer Science
Sixian Chen, Anqiang Zhang, Xiaohui He, Defu Chen
Summary: This study presents the preparation of anion exchange membranes (AEMs) using cross-linked hydrogenated benzo-norbornadiene diblock copolymer with multi-imidazolium cations clusters, which exhibit high conductivity, low swelling ratio, alkaline stability, and promising fuel cell performance.
Article
Chemistry, Multidisciplinary
Khondker R. Hossain, Daniel R. Turkewitz, Stephen A. Holt, Anton P. Le Brun, Stella M. Valenzuela
Summary: This study reveals the importance of the free sterol 3 beta-OH group for the interaction between CLIC1 protein and cholesterol. It also shows that the presence of additional hydroxyl groups, methylation of the sterol skeleton, and the structure of the sterol alkyl side chain modulate the magnitude of CLIC1 interaction with sterols and its membrane insertion. Furthermore, CLIC1 is able to interact with other naturally existing sterol molecules.
Article
Chemistry, Multidisciplinary
Dapeng Zhang, Qi Xiao, Mehrnoush Rahimzadeh, Matthew Liu, Cesar Rodriguez-Emmenegger, Yusuke Miyazaki, Wataru Shinoda, Virgil Percec
Summary: The principles for the selection of the stereo-chemistry of phospholipids of biological membranes are still unclear, and new experiments in this field can help make progress. Three libraries of glycerol-amphiphilic Janus dendrimers (JDs) were synthesized to study the self-assembly of these molecules and the formation of dendrimersomes (DSs). The results showed that non-symmetric homochiral JDs mainly formed unilamellar DSs, while racemic JDs favored multilamellar DSs, indicating a new rationale for chiral selection and suggesting the preference for symmetric achiral lipid assemblies in prebiotic cell membranes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Guoling Zhang, Guogang Yang, Shian Li, Qiuwan Shen, Ziheng Jiang, Zheng Li, Hao Wang, Jiadong Liao, Hongpeng Zhang
Summary: This study evaluated the effects of K+ and Mg2+ in marine atmosphere on the transport performance of Nafion 117 membranes through molecular dynamics simulations. It was found that these cations significantly weaken the diffusion of H3O+ and H2O, with Mg2+ having a more serious impact. The diffusion coefficients increase significantly with the increase of temperature, along with the increase of interaction between cations and sulfonic groups.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Xiaoyuan Wang, Shixin Xu, Fredric S. Cohen, Jiwei Zhang, Yongqiang Cai
Summary: The effect of cholesterol content on biological membranes was studied using a polymer system. The liquid-crystal behavior of certain components was found to strongly influence the chemical potential of cholesterol in bilayer membranes.
Article
Biochemistry & Molecular Biology
Jakub Hoser, Adrianna Dabrowska, Miroslaw Zajac, Piotr Bednarczyk
Summary: Living organisms have cell membranes that act as barriers and gatekeepers, protecting cells from harmful substances and interacting with foreign particles. In this study, the effect of particulate matter (PM) on the electrical properties of biological membranes was investigated. The results showed that PM reduced ion currents and decreased ion channel activity while having no significant effect on the electric membrane capacitance. Understanding the interaction between PM and biological membranes could help in finding cytoprotective strategies.
Article
Engineering, Chemical
Xiaoli Chen, Ruyu Li, Guangxu Zhang, Ying Sun, Qisu Hao, Tiegen Guo, Yinghua Shen, Yizheng Fu, Sheng Dai
Summary: Blending NPBI with SI can improve the dimensional stability of AEBMs, but the mechanism of its effect on OH- transport is unclear. Molecular dynamics simulation revealed that increasing NPBI content facilitated OH- transport by increasing free water content, but decreased distance between NSQAs and increased OH- correlation hindered OH- transport. AEBMs with 20 wt % NPBI content and 50% NPBI deprotonation degree achieved a balance between OH- transport and dimensional stability.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Engineering, Chemical
Lincan Yang, Zhiqian Wang, Fanghui Wang, Zhongming Wang, Hong Zhu
Summary: The study synthesized PBP as the main chain of AEMs with good chemical stability and mechanical strength, and introduced quaternary ammonium cations with different types of sidechains. Among the resulting AEMs, PBP-PEG exhibited the highest ions conductivity and lowest water uptake, as well as the highest peak power density in single cell evaluations.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Chemistry, Physical
M. Schneemilch, N. Quirke
Summary: A new approach is described for predicting the level of internalisation or complete wrapping of nanoparticles by liposomes in solution, based on thin film theory and physical property data. This approach can be used to identify and/or design nanoparticles with different uptakes, and potentially for designing nanoscale separations process.
MOLECULAR SIMULATION
(2022)
Article
Chemistry, Medicinal
Giuseppe Licari, Sepehr Dehghani-Ghahnaviyeh, Emad Tajkhorshid
Summary: Molecular dynamics simulations of biological membranes are sophisticated and can predict lipid structures and properties, while improving lipid sampling remains a challenge. A method to improve sampling involves randomizing lipid initial arrangements in multiple replicas without changing overall membrane composition.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Thermodynamics
Timing Fang, Chunlei Wei, Xiangshuai Meng, Guohui Zhou, Xiaomin Liu
Summary: The behavioral processes of gas separation and transfer in homogeneous and biphasic cellulose/ionic liquid membranes have been studied using molecular dynamics simulations. Structural homogeneity is the main criterion for separation. It is revealed that solvent homogeneity affects gas separation at the molecular level, which may enhance the creation and design of two-dimensional materials in the future.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Oncology
Mahlet Z. Tamirat, Kari J. Kurppa, Klaus Elenius, Mark S. Johnson
Summary: This study investigates the structural implications of two common EGFR exon 20 insertions in NSCLC, V769insASV and D770insNPG. The insertions stabilize key structural elements in the active EGFR conformation and disrupt interactions essential for maintaining the inactive state, potentially driving the transition to an active state. The mutations also alter the ATP-binding pocket, which may contribute to the observed tyrosine kinase inhibitor insensitivity.
Article
Engineering, Chemical
Lexuan Wu, Xixing Zhou, Guangxu Zhang, Ning Zhang, Yingda Huang, Sheng Dai, Yinghua Shen
Summary: Imidazolium-based groups have a significant impact on the OH- transport and alkaline stability of anion exchange membrane (AEM) materials, with methyl or phenyl substituents at specific sites showing a sterically inhibitory effect on OH- transport but enhancing alkaline stability. Introduction of alkyl spacer chains promotes OH- transport efficiency, while the interaction of PPO with imidazolium weakens the alkaline stability of AEMs. A balance between OH- transport and alkaline stability is achieved with specific modifications, providing a design principle for fuel cell applications.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Chemistry, Physical
Natalia Rojas-Valencia, Sara Gomez, Francisco Nunez-Zarur, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Summary: The insertion process of Naproxen into DMPC membranes was studied using molecular dynamics simulations and quantum mechanical computational methods. The insertion process faces a small energy barrier and is mainly driven by entropy changes due to structural reorganization. The formation of an attractive fluxional wall of noncovalent interactions is crucial for stabilizing the tertiary drug/water/membrane system.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Multidisciplinary
Hongwei Zhang, Candy Li-Fen Lim, Muhammad Zaki, Stephan Jaenicke, Gaik Khuan Chuah
Article
Chemistry, Inorganic & Nuclear
Yu Cheng, Xiao Dong (Tony) Wang, Stephan Jaenicke, Gaik-Khuan Chuah
INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Physical
Hongwei Zhang, Aijuan Han, Kazu Okumura, Lixiang Zhong, Shuzhou Li, Stephan Jaenicke, Gaik-Khuan Chuah
JOURNAL OF CATALYSIS
(2018)
Review
Biochemistry & Molecular Biology
A. Fan, G. K. Chuah, Stephan Jaenicke
CARBOHYDRATE RESEARCH
(2019)
Article
Chemistry, Physical
Hongwei Zhang, Weijia Yang, Irwan Iskandar Roslan, Stephan Jaenicke, Gaik-Khuan Chuah
JOURNAL OF CATALYSIS
(2019)
Article
Chemistry, Physical
Aijuan Han, Jiulong Sun, Hongwei Zhang, Gaik-Khuan Chuah, Stephan Jaenicke
Article
Chemistry, Applied
Hongwei Zhang, Joanne Chiew Ling Tee, Stephan Jaenicke, Mohammed A. Gondal, Mohamed A. Dastageer, Chanbasha Basheer, Gaik-Khuan Chuah
Summary: A novel family of visible-light-sensitive photocatalysts, bismuth oxyhalide solid solutions, were synthesized by a nonaqueous solvothermal method. By tuning the band gap, the material exhibited excellent photocatalytic activity for the degradation of organic compounds, with BiOBr0.75I0.25 showing the best performance. Its efficiency was attributed to a matching bandgap, balance between light absorption and redox potential, and efficient charge separation.
Article
Chemistry, Applied
Hongwei Zhang, Xiang Li, Kah Sing Chooi, Stephan Jaenicke, Gaik-Khuan Chuah
Summary: Encapsulation of gold nanostar particles with TiO2 effectively stabilizes the particles and enhances their photocatalytic activity. The encapsulated nanoparticles show retention of metal particle size, morphology, and associated LSPR properties, leading to significantly higher catalytic efficiency under visible light irradiation.
Review
Chemistry, Multidisciplinary
Ismail Bin Samsudin, Hongwei Zhang, Stephan Jaenicke, Gaik-Khuan Chuah
CHEMISTRY-AN ASIAN JOURNAL
(2020)
Article
Chemistry, Physical
Hongwei Zhang, Zhan Jiang Quek, Stephan Jaenicke, Gaik-Khuan Chuah
Summary: Heterogeneous catalysis using Zr-containing zeolites allows for the green synthesis of trans-anethole from 4'-methoxypropiophenone via a cascade of Meerwein-Ponndorf-Verley reduction followed by dehydration. Zr-HY was found to be more active than other catalysts, with the impact of solvent and acidity levels also being investigated.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Physical
Hongwei Zhang, Lixiang Zhong, Ismail Bin Samsudin, Kazu Okumura, Hui-Ru Tan, Shuzhou Li, Stephan Jaenicke, Gaik-Khuan Chuah
Summary: In this study, stable subnanometric Rh particles were prepared in Mg-doped zeolite Beta based on electrostatic interaction. These particles showed high selectivity in the hydrogenation reaction of phenol, making them important intermediates for Nylon production.
JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Multidisciplinary
Ismail Bin Samsudin, Stephan Jaenicke, Gaik-Khuan Chuah
Summary: The ammonia evaporation method was used to synthesize magnesia-silica catalysts for the conversion of ethanol to 1,3-butadiene. These catalysts showed enhanced selectivity and productivity compared to catalysts prepared by a conventional wet-kneading method. The presence of magnesium silicate hydrates in the catalysts contributed to improved butadiene formation and stability.
CHEMISTRY-SWITZERLAND
(2023)
Article
Chemistry, Physical
Yanglin Chen, Limo He, Hui-Ru Tan, Xuanhao Lin, Stephan Jaenicke, Gaik-Khuan Chuah
Summary: The research team synthesized a highly crystalline graphitic carbon nitride homojunction by calcination of a mixture of NH4SCN and urea, using NaCl/KCl molten salts as the preparation medium. The homogeneity of the liquid precursor ensured an intimate homojunction interface, facilitating the charge separation, and the highly crystalline bulk structure built a highway for rapidly transferring charge to the surface. As a result, bulk charge recombination was suppressed, and the spatial separation and transfer efficiency of charges were significantly improved. Compared to low crystalline homojunctions, this highly crystalline homojunction showed 15 times higher activity for the selective photocatalytic oxidation of benzyl alcohol to benzaldehyde. This work provides a simple strategy to construct a highly crystalline graphitic carbon nitride homojunction for solar energy conversion.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Hongwei Zhang, Ismail bin Samsudin, Stephan Jaenicke, Gaik-Khuan Chuah
Summary: Zeolites are versatile catalysts with applications in petrochemical processes, fine chemical synthesis, biomass conversion, and CO2 utilization. The introduction of mesopores and heteroatoms allows for additional applications and tunability in acidity and redox properties. The synthesis conditions and pore wall properties greatly influence the catalytic ability of zeolites.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Irwan Iskandar Roslan, Kian-Hong Ng, Stephan Jaenicke, Gaik-Khuan Chuah
CATALYSIS SCIENCE & TECHNOLOGY
(2019)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)