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The effect of chain length and side chains on the solubility of peptides in water from 278.15 K to 313.15 K: a case study in glycine homopeptides and dipeptides
File(s)
Author(s)
Guo, Mingxia
Chang, Zhen Hong
Liang, Enshu
Mitchell, Hamish
Zhou, Ling
Type
Journal Article
Abstract
The thermodynamic properties of peptides are significant in terms of the crystallization conditions of biomaterials. In this work, we seek to understand and explain the effect of side chains and chain length on the solubility of peptides. The amino acid residues of dipeptides investigated here were chosen based on their difference in side chain properties. The modified Apelblat equation was used to correlate the relationship between the solubility in water and temperature. In order to explore solute–solvent interactions, the solvation free energies of these peptides were calculated by Molecular Dynamic simulations. This work gives an indication of the effects of side chains and chain length on the solubility of amino acids and peptides in water under different temperatures, which not only provides the thermodynamic data for peptides, but is also critical in the prediction of peptide solubility using Statistical Associating Fluid Theory (SAFT).
Date Issued
2022-02-17
Date Acceptance
2022-02-01
Citation
Journal of Molecular Liquids, 2022, 352, pp.1-14
URI
URL
DOI
ISSN
0167-7322
Publisher
Elsevier
Start Page
1
End Page
14
Journal / Book Title
Journal of Molecular Liquids
Volume
352
Copyright Statement
Copyright © Elsevier Ltd. All rights reserved. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/
License URL
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000820452000005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
BINARY SOLVENTS
Chemistry
Chemistry, Physical
Dipeptides
Glycine homopeptides
Molecular dynamics
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
Science & Technology
Side chains of peptides
Solubility
Publication Status
Published
Article Number
118681
Date Publish Online
2022-02-09