We have studied the temperature dependence of the stacking periodicity, d, of oriented phospholipid multilayers using grazing angle neutron scattering techniques. d is found to increase substantially at higher temperatures, just before the bilayers peel off from the substrate. Although we do not observe thermal unbinding, our results are consistent with the notion that the unbinding transition is driven by steric repulsion arising from thermal fluctuations of the membranes, in contrast to those of a recent study by Vogel et al. [Phys. Rev. Lett. 84, 390 (2000)].
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http://dx.doi.org/10.1103/PhysRevLett.88.128101 | DOI Listing |
Sci Rep
January 2025
Department of Technical Education, Uttar Pradesh, India.
In this work, Density Functional Theory (DFT) on Gaussian 09 W software was utilized to investigate the phenylephrine (PE) molecule (C9H13NO2). Firstly, the optimized structure of the PE molecule was obtained using B3LYP/6-311 + G (d, p) and CAM-B3LYP/6-311 + G (d, p) basis sets. The electron charge density is shown in Mulliken atomic charge as a bar chart and also as a color-filled map in Molecular Electrostatic Potential (MEP).
View Article and Find Full Text PDFEcotoxicol Environ Saf
December 2024
School of Geography and Environmental Sciences, Guizhou Normal University, Guiyang 550025, China. Electronic address:
In aquatic environments, the deposition behaviors of nanoplastics (NPs) are closely associated with interfacial interaction between NPs and iron (hydr)oxides minerals, which are typically coupled with solution chemistry and organic matter. However, the roles of solution chemistry and organic matter in the deposition behavior of NPs with iron (hydr)oxides minerals and related interfacial interaction mechanism are still poorly understood. In this study, the deposition behaviors of carboxyl-modified polystyrene nanoparticles (COOH-PSNPs) with magnetite were systematically investigated.
View Article and Find Full Text PDFSoft Matter
December 2024
Institute for Bioscience and Biotechnology Research, University of Maryland, Rockville, MD 20850, USA.
Self-assembly of proteins and polyelectrolytes in aqueous solutions is a promising approach for the development of advanced biotherapeutics and engineering efficient biotechnological processes. Synthetic polyions containing sterically repulsive ethylene oxide moieties are especially attractive as protein modifying agents, as they can potentially induce a PEGylation-like stabilizing effect without the need for complex covalent binding reactions. In this study, we investigated the protein-binding properties of anionic polyelectrolytes based on an inorganic polyphosphazene backbone, with ethylene oxide groups incorporated into both grafted and linear macromolecular topologies.
View Article and Find Full Text PDFInt J Biol Macromol
December 2024
School of Chemistry and Chemical Engineering, North University of China, NO. 3 Xueyuan Road, Jiancaoping District, Taiyuan 030051, China. Electronic address:
The spontaneous self-organization of naturally-occurring polysaccharide particles into a thick and robust gel network at interface in Pickering emulsion is challenging. Inspired by the phenomenon that chitosan microgels (CSMs) with a certain size could self-associate into a solidified gel phase upon freezing, here we tentatively used CSMs to construct a highly-stable Pickering emulsion. CSMs can form a stable Langmuir's layer at the water/oil interface through the network deformation and re-arrangement of dangling chains, while the subsequent negative polymer coating can avoid the bridging resulting from the cross-association for CSMs on different emulsion droplets upon freezing.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States.
Many terpene glycosides exhibit contrasteric patterns of 1,2-diol glycosylation in which the more hindered alcohol bears a sugar; protection of the less hindered alcohol only increases steric repulsion. Here, we report a method for contrasteric glycosylation using a new sugar-linker that forms a cleavable, 10-membered ring with high efficiency, leading to syntheses of cotylenin E, J, and ISIR-050. Linker selection was aided by DFT calculations of side reactions and stereoselectivity, as well as conformational analyses using autoDFT, a Python script that converts SMILES strings to DFT-optimized conformational ensembles.
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