Linked Life Data

21241131

Source:http://linkedlifedata.com/resource/pubmed/id/21241131

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PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
2
pubmed:dateCreated
2011-1-18
pubmed:abstractText
We present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions. The extension of the static theory of the excluded volume effect [A. K. Soper, J. Phys.: Condens. Matter 9, 2399 (1997)] to the time-dependent (dynamic) case allows us to obtain simplified model expressions for QENS spectra in the low Q region in the uniform fluid approximation. The resulting expressions describe the quasielastic small-angle neutron scattering (QESANS) spectra of D(2)O solutions of native and methylated cyclodextrins well, yielding in particular translational and rotational diffusion coefficients of these compounds in aqueous solution. Finally, we discuss the full potential of the QESANS analysis (that is, beyond the uniform fluid approximation), in particular, the information on solute-solvent interactions (e.g., hydration shell properties) that such an analysis can provide, in principle.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
1089-7690
pubmed:author
pubmed:issnType
Electronic
pubmed:day
14
pubmed:volume
134
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
024518
pubmed:meshHeading
pubmed:year
2011
pubmed:articleTitle
Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins.
pubmed:affiliation
Institute for Chemistry and Biochemistry/Crystallography, Freie Universita?t Berlin, Taku Str. 6, 14195 Berlin, Germany. a.kusmin@fz-juelich.de
pubmed:publicationType
Journal Article