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001     18981
005     20240619091906.0
024 7 _ |a pmid:21241131
|2 pmid
024 7 _ |a 10.1063/1.3518367
|2 DOI
024 7 _ |a WOS:000286471900059
|2 WOS
024 7 _ |a 2128/7378
|2 Handle
024 7 _ |a altmetric:21807302
|2 altmetric
037 _ _ |a PreJuSER-18981
041 _ _ |a eng
082 _ _ |a 540
084 _ _ |2 WoS
|a Physics, Atomic, Molecular & Chemical
100 1 _ |a Kusmin, A.
|b 0
|u FZJ
|0 P:(DE-Juel1)130781
245 _ _ |a Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins
260 _ _ |a Melville, NY
|b American Institute of Physics
|c 2011
300 _ _ |a 024518
336 7 _ |a Journal Article
|0 PUB:(DE-HGF)16
|2 PUB:(DE-HGF)
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|0 0
|2 EndNote
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a article
|2 DRIVER
440 _ 0 |a Journal of Chemical Physics
|x 0021-9606
|0 3145
|y 2
|v 134
500 _ _ |a R.E.L. thanks G. Steiner and B. Urban for very valuable technical assistance during the NEAT experiment. Two of us (A.K. and RE.L.) thank the Hahn-Meitner-Institut for its hospitality. Financial support for A.K. by the Institute of Chemistry and Biochemistry of the Freie Universitat Berlin is gratefully acknowledged.
520 _ _ |a 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.
536 _ _ |a BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung
|c P45
|2 G:(DE-HGF)
|0 G:(DE-Juel1)FUEK505
|x 0
536 _ _ |a Großgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)
|c P55
|0 G:(DE-Juel1)FUEK415
|x 1
588 _ _ |a Dataset connected to Web of Science, Pubmed
650 _ 2 |2 MeSH
|a Cyclodextrins: chemistry
650 _ 2 |2 MeSH
|a Deuterium Oxide: chemistry
650 _ 2 |2 MeSH
|a Diffusion
650 _ 2 |2 MeSH
|a Rotation
650 _ 2 |2 MeSH
|a Scattering, Small Angle
650 _ 2 |2 MeSH
|a Solutions
650 _ 2 |2 MeSH
|a X-Ray Diffraction
650 _ 7 |0 0
|2 NLM Chemicals
|a Cyclodextrins
650 _ 7 |0 0
|2 NLM Chemicals
|a Solutions
650 _ 7 |0 7789-20-0
|2 NLM Chemicals
|a Deuterium Oxide
650 _ 7 |a J
|2 WoSType
700 1 _ |a Lechner, R.E.
|b 1
|0 P:(DE-HGF)0
700 1 _ |a Saenger, W.
|b 2
|0 P:(DE-HGF)0
773 _ _ |a 10.1063/1.3518367
|g Vol. 134, p. 024518
|p 024518
|q 134<024518
|0 PERI:(DE-600)1473050-9
|t The @journal of chemical physics
|v 134
|y 2011
|x 0021-9606
856 7 _ |u http://dx.doi.org/10.1063/1.3518367
856 4 _ |u https://juser.fz-juelich.de/record/18981/files/FZJ-18981.pdf
|y Published under German "Allianz" Licensing conditions on 2011-01-12. Available in OpenAccess from 2011-01-12
|z Published final document.
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|v BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung
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913 1 _ |k P55
|v Großgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)
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|b Struktur der Materie
|0 G:(DE-Juel1)FUEK415
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913 2 _ |a DE-HGF
|b Forschungsbereich Materie
|l In-house research on the structure, dynamics and function of matter
|1 G:(DE-HGF)POF3-620
|0 G:(DE-HGF)POF3-623
|2 G:(DE-HGF)POF3-600
|v Neutrons for Research on Condensed Matter
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914 1 _ |y 2011
915 _ _ |0 StatID:(DE-HGF)0010
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915 _ _ |a OpenAccess
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915 _ _ |a Allianz-OA
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981 _ _ |a I:(DE-Juel1)IBI-8-20200312
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