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Title: Water structure around peptide fragments in aqueous solutions

Abstract

The bulk water structure around small peptide fragments - glycyl-L-alanine, glycyl-L-proline and L-alanyl-L-proline - has been determined by a combination of neutron diffraction with isotopic substitution and empirical potential structural refinement techniques. The addition of each of the dipeptides to water yields a decreased water-water coordination in the surrounding water solvent. Additionally both the Ow-Ow radial distribution functions and the water-water spatial density functions in all of the solutions indicate an electrostrictive effect in the second water coordination shell of the bulk water network. This effect is not observed in similar experiments on the amino acid L-proline alone in solution, which is one component of two of the peptides measured here.

Authors:
 [1];  [1];  [2]
  1. ORNL
  2. University of Oxford
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
936541
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Conference
Resource Relation:
Conference: Neutrons in Biology, Didcot, United Kingdom, 20070710, 20070713
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; AMINO ACIDS; AQUEOUS SOLUTIONS; BIOLOGY; ISOTOPIC EXCHANGE; NEUTRON DIFFRACTION; NEUTRONS; PEPTIDES; SPATIAL DISTRIBUTION; WATER

Citation Formats

McLain, Sylvia E, Soper, Alan K, and Watts, Prof Anthony. Water structure around peptide fragments in aqueous solutions. United States: N. p., 2008. Web.
McLain, Sylvia E, Soper, Alan K, & Watts, Prof Anthony. Water structure around peptide fragments in aqueous solutions. United States.
McLain, Sylvia E, Soper, Alan K, and Watts, Prof Anthony. 2008. "Water structure around peptide fragments in aqueous solutions". United States. doi:.
@article{osti_936541,
title = {Water structure around peptide fragments in aqueous solutions},
author = {McLain, Sylvia E and Soper, Alan K and Watts, Prof Anthony},
abstractNote = {The bulk water structure around small peptide fragments - glycyl-L-alanine, glycyl-L-proline and L-alanyl-L-proline - has been determined by a combination of neutron diffraction with isotopic substitution and empirical potential structural refinement techniques. The addition of each of the dipeptides to water yields a decreased water-water coordination in the surrounding water solvent. Additionally both the Ow-Ow radial distribution functions and the water-water spatial density functions in all of the solutions indicate an electrostrictive effect in the second water coordination shell of the bulk water network. This effect is not observed in similar experiments on the amino acid L-proline alone in solution, which is one component of two of the peptides measured here.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2008,
month = 1
}

Conference:
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