Xe NMR Lineshapes in Channels of Peptide Molecular Crystals

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DOIResolve DOI: http://doi.org/10.1073/pnas.0405348101
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TypeArticle
Proceedings titleProceedings of the National Academy of Sciences of the United States of America
ConferenceDec. 28, 2004
ISSN00278424
Volume101
Issue52
Pages1792417929; # of pages: 6
AbstractTo further an understanding of the nature of information available from Xe chemical shifts in cavities in biological systems, it would be advantageous to start with Xe in regular nanochannels that have well known ordered structures built from amino acid units. In this paper, we report the experimental observation of Xe NMR lineshapes in peptide channels, specifically the self-assembled nanochannels of the dipeptide l-Val-l-Ala and its retroanalog l-Ala-l-Val in the crystalline state. We carry out grand canonical Monte Carlo simulations of Xe in these channels to provide a physical understanding of the observed Xe lineshapes in these two systems.
Publication date
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
Identifier10062105
NPARC number12338297
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Record identifier55c8defc-d5b0-4a63-a692-59e4c53fd0eb
Record created2009-09-10
Record modified2016-05-09
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