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http://dx.doi.org/10.1002/jms.4598 | DOI Listing |
Nat Commun
January 2025
School of Environmental Science and Engineering, Sun Yat-sen University, Guangzhou, China.
Thin-film composite polyamide (TFC PA) membranes hold promise for energy-efficient liquid separation, but achieving high permeance and precise separation membrane via a facile approach that is compatible with present manufacturing line remains a great challenge. Herein, we demonstrate the use of lignin alkali (LA) derived from waste of paper pulp as an aqueous phase additive to regulate interfacial polymerization (IP) process for achieving high performance nanofiltration (NF) membrane. Various characterizations and molecular dynamics simulations revealed that LA can promote the diffusion and partition of aqueous phase monomer piperazine (PIP) molecules into organic phase and their uniform dispersion on substrate, accelerating the IP reaction and promoting greater interfacial instabilities, thus endowing formation of TFC NF membrane with an ultrathin, highly cross-linked, and crumpled PA layer.
View Article and Find Full Text PDFBiophys Chem
December 2024
Theoretical Molecular Science Laboratory, RIKEN Cluster for Pioneering Research, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan; Computational Biophysics Research Group, RIKEN Center for Computational Science, 7-1-26 Minatojima-Minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan; Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research, 1-6-5 Minatojima-Minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan.
Membrane potential is essential in biological signaling and homeostasis maintained by voltage-sensitive membrane proteins. Molecular dynamics (MD) simulations incorporating membrane potentials have been extensively used to study the structures and functions of ion channels and protein pores. They can also be beneficial in designing and characterizing artificial ion channels and pores, which will guide further amino acid sequence optimization through comparison between the predicted models and experimental data.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Mathematics, College of Natural and Computational Sciences, Wollega University, Nekemte, Ethiopia.
Amino acids, as the fundamental constituents of proteins and enzymes, play a vital role in various biological processes. Amino acids such as histidine, cysteine, and methionine are known to coordinate with metal ions in proteins and enzymes, playing critical roles in their structure and function. In metalloproteins, metal ions are often coordinated by specific amino acid residues, contributing to the protein's stability and catalytic activity.
View Article and Find Full Text PDFChem Asian J
January 2025
University of Shanghai for Science and Technology, School of Materials and Chemistry, Shanghai, CHINA.
Ln-MOFs, composed of lanthanide ions and functional organic ligands, are porous materials with tunable structures and unique luminescent properties. However, the interplay between ligand AIE properties and the framework's "antenna effect" on MOF morphology is understudied. Here, Tb-D-Cam-TPTB was synthesized via solvothermal method using TPTB (persulfurated arene) as the primary ligand, D-Cam as the auxiliary ligand, and Tb3+ as the metal ion.
View Article and Find Full Text PDFJ Colloid Interface Sci
December 2024
Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, PR China. Electronic address:
Localized high-concentration electrolytes (LHCEs) offer a new methodology to improve the functionality of conventional electrolytes. Understanding the impact of antisolvents on bulk electrolytes is critical to the construction of sophisticated LHCEs. However, the mechanism of how antisolvent modulates the electrochemical reactivity of the solvation structure in LHCEs remains unclear.
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