ESR Study of Interfacial Hydration Layers of Polypeptides in Water-Filled Nanochannels and in Vitrified Bulk Solvents

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Title:	ESR Study of Interfacial Hydration Layers of Polypeptides in Water-Filled Nanochannels and in Vitrified Bulk Solvents
Authors:	陳儀帆;Lai, Yei-Chen;Chen, Yi-Fan;Chiang, Yun-Wei
Contributors:	工學院化學工程與材料工程學系
Keywords:	Accessibility;Biology;Bulk density;Chemistry;Density;Electron Spin Resonance Spectroscopy - methods;Heterogeneity;Hydration;Materials Science;Multidisciplinary;Mutation;Nanotechnology - methods;Nitroxide;Peptides;Peptides - chemistry;Physics;Polypeptides;Pore size;Porosity;Protein structure;Protein Structure, Secondary;Proteins;Proteins - chemistry;Shells;Solvents;Solvents - chemistry;Spin labeling;Spin Labels;Structure-function relationships;Studies;Surface water;Water - chemistry
Date:	2013-06-28
Issue Date:	2026-04-21 14:12:39 (UTC+8)
Publisher:	Public Library of Science;United States: Public Library of Science (PLoS)
Abstract:	摘要： There is considerable evidence for the essential role of surface water in protein function and structure. However, it is unclear to what extent the hydration water and protein are coupled and interact with each other. Here, we show by ESR experiments (cw, DEER, ESEEM, and ESE techniques) with spin-labeling and nanoconfinement techniques that the vitrified hydration layers can be evidently recognized in the ESR spectra, providing nanoscale understanding for the biological interfacial water. Two peptides of different secondary structures and lengths are studied in vitrified bulk solvents and in water-filled nanochannels of different pore diameter (6.1~7.6 nm). The existence of surface hydration and bulk shells are demonstrated. Water in the immediate vicinity of the nitroxide label (within the van der Waals contacts, ~0.35 nm) at the water-peptide interface is verified to be non-crystalline at 50 K, and the water accessibility changes little with the nanochannel dimension. Nevertheless, this water accessibility for the nanochannel cases is only half the value for the bulk solvent, even though the peptide structures remain largely the same as those immersed in the bulk solvents. On the other hand, the hydration density in the range of ~2 nm from the nitroxide spin increases substantially with decreasing pore size, as the density for the largest pore size (7.6 nm) is comparable to that for the bulk solvent. The results demonstrate that while the peptides are confined but structurally unaltered in the nanochannels, their surrounding water exhibits density heterogeneity along the peptide surface normal. The causes and implications, especially those involving the interactions between the first hydration water and peptides, of these observations are discussed. Spin-label ESR techniques are proven useful for studying the structure and influences of interfacial hydration. 其他題名： PLoS One 出版者： United States: Public Library of Science (PLoS) 出版日期： 2013-06-28 出處： PLoS ONE, 2013-06, Vol.8 (6), p.e68264- 資源來源： Agricultural & Environmental Science Collection 版權： COPYRIGHT 2013 Public Library of Science 版權： 2013 Lai et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License: https://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. 版權： 2013 Lai et al 2013 Lai et al 識別號： ISSN: 1932-6203 識別號： EISSN: 1932-6203 識別號： DOI: 10.1371/journal.pone.0068264 識別號： PMID: 23840841
Appears in Collections:	[Department of Chemical and Materials Engineering] journal & Dissertation

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