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Effect of an electric field on dewetting transition of nitrogen-water system

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Chinese Physics B 2022年第3期31卷 455-460页

作者： Qi Feng Jiaxian Li Xiaoyan Zhou Hangjun Lu Department of Physics Zhejiang Normal UniversityJinhua 321004China

We investigate the influence of an external electric field on the dewetting behavior of nitrogen-water systems between two hydrophobic plates using molecular dynamics simulations. It is found that the critical distance of dewetting increases obviously with the electric field strength, indicating that the effective range of hydrophobic attraction is extended. The mechanism behind this interesting phenomenon is related to the rearrangement of hydrogen bond networks between water molecules induced by the external electric field. Changes in the hydrogen bond networks and in the dipole orientation of the water molecules result in the redistribution of the neutral nitrogen molecules, especially in the region close to the hydrophobic plates. Our findings may be helpful for understanding the effects of the electric field on the long-range hydrophobic interactions.

关键词： dewetting transition hydrophobic interactions electric field

Molecular Mechanism of the Early Stage of Amyloidogenic Hexapeptides(NFGAIL) Aggregation

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Communications in Theoretical Physics 2013年第10期60卷 515-520页

作者：施碧云周波蔡卓伟修鹏杨再兴 Bio-X Lab Department of Physics Zhejiang University Department of Engineering Mechanics and Soft Matter Research Center Zhejiang University

Peptides/proteins aggregation can give rise to pathological conditions of many human *** partially ordered oligomers formed in the early stage of aggregation,rather than mature fibrils,are thought to be the main toxicity agent for the living ***,understanding the pathway and the underlying physical mechanism in the early stage of aggregation is very important for prevention and treatment of these protein functional *** we use all-atom molecular dynamics simulations to study the aggregation of four NFGAIL hexapeptides(NFGAIL peptide is a core segment of human islet amyloid polypeptide and exhibits similar aggregation kinetics as the full-length polypeptide).We observe that the peptide monomers in water mainly adopt non-structural coil configurations;the four peptides which are randomly placed in water aggregate spontaneously to partially ordered oligomer(β-sheets)through dimerization or trimerization,with the dimerization *** parallel and anti-parallelβ-sheets are *** hydrophobic interactions drive the initial peptides associations,and the subsequent conformational fluctuations promote the formation of more hydrogen bonds between the dangling hydrogen sites in the main chains of peptides.

关键词： peptides aggregation dimerization and trimerization hydrophobic interactions molecular dy-namics simulations

Carbon dioxide-controlled assembly based on conjugated polymer and boron nitride

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Chinese Chemical Letters 2020年第1期31卷 261-264页

作者： Bo Wang Chengfen Xing Dong Gao Hongbo Yuan Liang Qiu Xue Yang Yang Huang Yong Zhan Institute of Biophysics Hebei University of TechnologyTianjin 300401China Hebei Key Laboratory of Boron Nitride Micro and Nano Materials Hebei University of TechnologyTianjin 300130China

C02-controlled assembly of conjugated polymer and boron nitride(BN)was fabricated via electrostatic and hydrophobic interactions between the BN fiber and conjugated polymer of PFBT containing fluorene units and 2,1,3-benzothiadiazole units.C02,an effective and green stimulus for regulating the assembly of PFBT and BN fibers,leads to an obvious fluorescence ***,PFBT enables the assembly with the signal amplification and light-harvesting *** work provides a new triggering method to construct intelligent conjugated polymer-based platform,and offers fluorescence monitoring strategy for carbon dioxide capture.

关键词： Conjugated polymers Energy transfer Boron nitride Electrostatic interactions hydrophobic interactions CO2

Recent progress in polymerization-induced self-assembly:From the perspective of driving forces

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Aggregate

Aggregate 2024年第1期5卷 47-66页

作者： Zizhuo Zhao Shujing Lei Min Zeng Meng Huo Department of Chemistry Key Laboratory of Surface and Interface Science of Polymer Materials of Zhejiang ProvinceZhejiang Sci-Tech UniversityHangzhouP.R.China Department of Chemistry University of WarwickCoventryUK

Polymerization-induced self-assembly(PISA)enables the simultaneous growth and self-assembly of block copolymers in one pot and therefore has developed into a high-efficiency platform for the preparation of polymer assemblies with high concentration and excellent *** the past decade,the driving force of PISA has extended from hydrophobic interactions to other supramolecular interactions,which has greatly innovated the design of PISA,enlarged the monomer/solvent toolkit,and endowed the polymer assemblies with intrinsic dynamicity and *** unravel the important role of driving forces in the formation of polymeric assemblies,this review summarized the recent development of PISA from the perspective of driving *** by this goal,here we give a brief overview of the basic principles of PISA and systematically discuss the various driving forces in the PISA system,including hydrophobic interactions,hydrogen bonding,electrostatic interactions,andπ-π***,PISA systems that are driven and regulated by crystallization or liquid crystalline ordering were also highlighted.

关键词： driving forces electrostatic interactions hydrogen bonding hydrophobic interactions polymerizationinduced self-assembly

*** binding properties of the C-terminal segment of retinol dehydrogenase 8

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Annals of Eye Science 2018年第1期 428-428页

作者： AndréHädicke Ana I.A.Coutinho François Otis Mustapha Lhor Line Cantin Manuel Prieto Normand Voyer Christian Salesse PROTEO and CUO-Recherche Centre de recherche du CHU de Québec-UniversitéLavalHôpital St-SacrementQuébecCanada Centro Química-Física Molecular Instituto Superior TécnicoUniversidade de LisboaLisboaPortugal PROTEO and Dépt.Chimie FacultéSciences et génieUniversitéLavalQuébecCanada

Background:Retinol dehydrogenase 8(RDH8)is a 312-amino acid(aa)protein involved in the visual *** to the outer segment disk membranes of photoreceptors,it reduces all-trans-retinal to all-trans-retinol1 as one of the rate-limiting steps of the visual ***8 is a member of the short-chain dehydrogenase/reductase *** C-terminal segment allows its membrane-anchoring through the postulated presence of an amphipathicα-helix and of 1 to 3 acyl groups at positions 299,302 and *** secondary structure and membrane binding characteristics of RDH8 and its C-terminal segment have not yet been ***:To evaluate the membrane binding of RDH8,the full-length protein(aa 1-312),a truncated form(aa 1-296),its C-terminal segment(aa 281-312 and 297-312)as well as different additional variants of this segment were *** truncated protein binds membranes less efficiently than the full-length ***,the C-terminal segment of RDH8 is essential for the binding and has thus been further *** intrinsic fluorescence of tryptophan residues at positions 289 and 310 of the wild-type C-terminal segment of RDH8 and the mutants W289F,W310F and W310R have thus been used to determine their extent of binding to lipid vesicles and to monitor their local *** lipid vesicles composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine(POPC)or a mixture of POPC and 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine(POPS)were used to mimic the phospholipid content of the outer segment disk membranes of ***:An increase in fluorescence intensity and in fluorescence lifetime is observed upon increasing the concentration of lipid *** data allowed calculating values of partition coefficient of the C-terminal segment of RDH8 varying between Kp=1.1 E6 to 1.7 *** is noteworthy that the observation of a more intense shift to lower wavelengths upon membrane binding of the mutant W310R and W310F indicates a deeper inco

关键词： Peptide-membrane binding electrostatic interactions hydrophobic interactions fluorescence spectroscopy