A coarse-grained model of simple monovalent electrolyte solution in contact with a zwitterionic lipid layer in continuum solvent is studied by canonical Monte Carlo computer simulations and extended Poisson-Boltzmann theory. A structure of zwitterionic layer as well as concentration profiles of positively and negatively charged monovalent ions were obtained from simulations and compared to theoretical predictions. A relatively good agreement between the Monte Carlo computer simulations and theory was observed.
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http://dx.doi.org/10.17344/acsi.2015.1561 | DOI Listing |
J Hazard Mater
January 2025
School of Environmental and Municipal Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, China; Shaanxi Key Laboratory of Environmental Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, China. Electronic address:
Nitrate pollution poses severe risks to aquatic ecosystems and human health. The electrocatalytic nitrate reduction reaction (NITRR) offers a promising environmental and economic solution for nitrate pollution treatment and nitrogen source recovery; however, it continues to experience limited efficiency in neutral electrolytes. This study explores the heterointerface activation effects of TiO/CuO heterogeneous catalysts with rutile (R-TiO) and anatase (A-TiO) phases and reveals that R-TiO is an active crystal phase with high nitrate reduction performance.
View Article and Find Full Text PDFAcc Chem Res
January 2025
Department of Chemistry, Shanghai Key Laboratory of Catalysis and Innovative Materials, Center of Chemistry for Energy Materials Shanghai, Fudan University, Shanghai 200433, PR China.
ConspectusZinc metal batteries (ZMBs) appear to be promising candidates to replace lithium-ion batteries owing to their higher safety and lower cost. Moreover, natural reserves of Zn are abundant, being approximately 300 times greater than those of Li. However, there are some typical issues impeding the wide application of ZMBs.
View Article and Find Full Text PDFAnal Chem
January 2025
Department of Chemistry, University of Pittsburgh, 219 Parkman Avenue, Pittsburgh, Pennsylvania 15260, United States.
The nuclear pore complex (NPC) is the proteinous nanopore that solely regulates molecular transport between the nucleus and cytoplasm of a eukaryotic cell. Hypothetically, the NPC utilizes the hydrophobic barriers based on the repeats of phenylalanine-glycine (FG) units to selectively and efficiently transport macromolecules. Herein, we quantitatively assess the hydrophobicity of transport barriers confined in the nanopore by applying scanning electrochemical microscopy (SECM).
View Article and Find Full Text PDFHeliyon
January 2025
Department of Electrical Engineering, Feng Chia University, Taichung, 407802, Taiwan.
This study presents an innovative glucose detection platform, featuring a highly sensitive, non-enzymatic glucose sensor. The sensor integrates nickel nanowires and a graphene thin film deposited on the gate region of an extended-gate electric double-layer field-effect transistor (EGEDL-FET). This unique combination of materials and device structure enables superior glucose sensing performance.
View Article and Find Full Text PDFInt J Nanomedicine
January 2025
Department of Biopharmacy, School of Pharmaceutical Sciences, Jilin University, Changchun, People's Republic of China.
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