Templated crystallization of glycine homopeptides: experimental and computational developments
File(s)Chem Eng Technol - 2023 - Verma.pdf (1.17 MB)
Published version
Author(s)
Verma, Vivek
Mitchell, Hamish
Errington, Ethan
Guo, Mingxia
Heng, Jerry YY
Type
Journal Article
Abstract
The usage of glass beads as heterogeneous additives for the crystallization of glycine homopeptides is investigated, whereby glass beads are shown experimentally to increase the rate of crystallization. Induction time analysis indicates that the presence of glass beads acts enhances the kinetic factor for nucleation. These results are compared to those previously obtained by the authors for glycine and diglycine, and it is demonstrated that the increase in nucleation rate is proportional to the peptide chain length. Molecular dynamics simulations confirm that larger molecules exhibit faster nucleation in the presence of glass beads due to an increased number of interactions as observed with the longest hydrogen bond lifetime for triglycine, followed by diglycine and glycine.
Date Issued
2023-06
Date Acceptance
2023-02-22
Citation
Chemical Engineering and Technology, 2023, 46 (6), pp.1271-1278
ISSN
0930-7516
Publisher
Wiley
Start Page
1271
End Page
1278
Journal / Book Title
Chemical Engineering and Technology
Volume
46
Issue
6
Copyright Statement
© 2023 The Authors. Chemical Engineering & Technology published by Wiley-VCH GmbH
This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
License URL
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000949956500001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a2bf6146997ec60c407a63945d4e92bb
Subjects
Crystallization
DESIGN
Engineering
Engineering, Chemical
FORCE-FIELD
HETEROGENEOUS NUCLEATION
LIFETIME
Molecular dynamics
Nucleation
PEPTIDE
Peptides
Science & Technology
Seeding
SILICA
SIMULATIONS
Technology
WATER
Publication Status
Published
Date Publish Online
2023-02-22