Source:http://linkedlifedata.com/resource/pubmed/id/12115130
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
5
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pubmed:dateCreated |
2002-7-12
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pubmed:abstractText |
Interactions between the diketopiperazine cyclo-alanylglycine and four fluorinated alcohols in water-fluoroalcohol mixtures were examined by (1)H[(19)F] intermolecular nuclear Overhauser effects (NOE) experiments. The alcohols studied were trifluoroethanol, hexafluoroacetone trihydrate, 1,1,1,3,3,3-hexafluoroisopropanol and perfluoro-t-butanol. The experimental methods used permit detection of solvent-solute NOEs of 0.1% or less. Solute and solvent diffusion coefficients were determined and apparent molecular radii of the fluoroalcohols estimated. Using these data, it was shown that observed (1)H[(19)F] intermolecular NOEs are consistent with expectations based on theory. A method for extending conventional theory to take into account the shape of a solute and the exposure of its hydrogens to solvent is described. This approach gives reasonable agreement with experimental results, particularly if it is assumed that solute-solvent interactions take place in such a way that the fluorines of a fluoroalcohol are preferentially oriented toward the solute during solute-solvent encounters. The results support the suggestion that intermolecular (1)H[(19)F] NOEs may become a useful tool for studies of peptide and protein conformations in fluoroalcohol-water solvent mixtures.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical |
http://linkedlifedata.com/resource/pubmed/chemical/Alcohols,
http://linkedlifedata.com/resource/pubmed/chemical/Biopolymers,
http://linkedlifedata.com/resource/pubmed/chemical/Dipeptides,
http://linkedlifedata.com/resource/pubmed/chemical/Peptides, Cyclic,
http://linkedlifedata.com/resource/pubmed/chemical/Solutions
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pubmed:status |
MEDLINE
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pubmed:month |
Aug
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pubmed:issn |
0006-3525
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pubmed:author | |
pubmed:copyrightInfo |
Copyright 2002 Wiley Periodicals, Inc.
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pubmed:issnType |
Print
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pubmed:day |
15
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pubmed:volume |
64
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
227-35
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pubmed:dateRevised |
2006-11-15
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pubmed:meshHeading |
pubmed-meshheading:12115130-Alcohols,
pubmed-meshheading:12115130-Biopolymers,
pubmed-meshheading:12115130-Dipeptides,
pubmed-meshheading:12115130-Nuclear Magnetic Resonance, Biomolecular,
pubmed-meshheading:12115130-Peptides, Cyclic,
pubmed-meshheading:12115130-Protein Conformation,
pubmed-meshheading:12115130-Solutions
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pubmed:year |
2002
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pubmed:articleTitle |
Intermolecular Overhauser effects in fluoroalcohol solutions of cyclo-alanylglycine.
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pubmed:affiliation |
Department of Chemistry and Biochemistry, University of California, Santa Barbara 93106, USA.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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