000018981 001__ 18981
000018981 005__ 20240619091906.0
000018981 0247_ $$2pmid$$apmid:21241131
000018981 0247_ $$2DOI$$a10.1063/1.3518367
000018981 0247_ $$2WOS$$aWOS:000286471900059
000018981 0247_ $$2Handle$$a2128/7378
000018981 0247_ $$2altmetric$$aaltmetric:21807302
000018981 037__ $$aPreJuSER-18981
000018981 041__ $$aeng
000018981 082__ $$a540
000018981 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000018981 1001_ $$0P:(DE-Juel1)130781$$aKusmin, A.$$b0$$uFZJ
000018981 245__ $$aQuasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins
000018981 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2011
000018981 300__ $$a024518
000018981 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000018981 3367_ $$2DataCite$$aOutput Types/Journal article
000018981 3367_ $$00$$2EndNote$$aJournal Article
000018981 3367_ $$2BibTeX$$aARTICLE
000018981 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000018981 3367_ $$2DRIVER$$aarticle
000018981 440_0 $$03145$$aJournal of Chemical Physics$$v134$$x0021-9606$$y2
000018981 500__ $$aR.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.
000018981 520__ $$aWe present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions. The extension of the static theory of the excluded volume effect [A. K. Soper, J. Phys.: Condens. Matter 9, 2399 (1997)] to the time-dependent (dynamic) case allows us to obtain simplified model expressions for QENS spectra in the low Q region in the uniform fluid approximation. The resulting expressions describe the quasielastic small-angle neutron scattering (QESANS) spectra of D(2)O solutions of native and methylated cyclodextrins well, yielding in particular translational and rotational diffusion coefficients of these compounds in aqueous solution. Finally, we discuss the full potential of the QESANS analysis (that is, beyond the uniform fluid approximation), in particular, the information on solute-solvent interactions (e.g., hydration shell properties) that such an analysis can provide, in principle.
000018981 536__ $$0G:(DE-Juel1)FUEK505$$2G:(DE-HGF)$$aBioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung$$cP45$$x0
000018981 536__ $$0G:(DE-Juel1)FUEK415$$aGroßgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)$$cP55$$x1
000018981 588__ $$aDataset connected to Web of Science, Pubmed
000018981 650_2 $$2MeSH$$aCyclodextrins: chemistry
000018981 650_2 $$2MeSH$$aDeuterium Oxide: chemistry
000018981 650_2 $$2MeSH$$aDiffusion
000018981 650_2 $$2MeSH$$aRotation
000018981 650_2 $$2MeSH$$aScattering, Small Angle
000018981 650_2 $$2MeSH$$aSolutions
000018981 650_2 $$2MeSH$$aX-Ray Diffraction
000018981 650_7 $$00$$2NLM Chemicals$$aCyclodextrins
000018981 650_7 $$00$$2NLM Chemicals$$aSolutions
000018981 650_7 $$07789-20-0$$2NLM Chemicals$$aDeuterium Oxide
000018981 650_7 $$2WoSType$$aJ
000018981 7001_ $$0P:(DE-HGF)0$$aLechner, R.E.$$b1
000018981 7001_ $$0P:(DE-HGF)0$$aSaenger, W.$$b2
000018981 773__ $$0PERI:(DE-600)1473050-9$$a10.1063/1.3518367$$gVol. 134, p. 024518$$p024518$$q134<024518$$tThe @journal of chemical physics$$v134$$x0021-9606$$y2011
000018981 8567_ $$uhttp://dx.doi.org/10.1063/1.3518367
000018981 8564_ $$uhttps://juser.fz-juelich.de/record/18981/files/FZJ-18981.pdf$$yPublished under German "Allianz" Licensing conditions on 2011-01-12. Available in OpenAccess from 2011-01-12$$zPublished final document.
000018981 8564_ $$uhttps://juser.fz-juelich.de/record/18981/files/FZJ-18981.jpg?subformat=icon-1440$$xicon-1440
000018981 8564_ $$uhttps://juser.fz-juelich.de/record/18981/files/FZJ-18981.jpg?subformat=icon-180$$xicon-180
000018981 8564_ $$uhttps://juser.fz-juelich.de/record/18981/files/FZJ-18981.jpg?subformat=icon-640$$xicon-640
000018981 909CO $$ooai:juser.fz-juelich.de:18981$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000018981 9131_ $$0G:(DE-Juel1)FUEK505$$bSchlüsseltechnologien$$kP45$$lBiologische Informationsverarbeitung$$vBioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung$$x0
000018981 9131_ $$0G:(DE-Juel1)FUEK415$$bStruktur der Materie$$kP55$$lGroßgeräteforschung mit Photonen, Neutronen und Ionen$$vGroßgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)$$x1
000018981 9132_ $$0G:(DE-HGF)POF3-623$$1G:(DE-HGF)POF3-620$$2G:(DE-HGF)POF3-600$$aDE-HGF$$bForschungsbereich Materie$$lIn-house research on the structure, dynamics and function of matter$$vNeutrons for Research on Condensed Matter$$x0
000018981 9141_ $$y2011
000018981 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000018981 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000018981 915__ $$0StatID:(DE-HGF)0520$$2StatID$$aAllianz-OA
000018981 9201_ $$0I:(DE-Juel1)ICS-1-20110106$$gICS$$kICS-1$$lNeutronenstreuung$$x0
000018981 9201_ $$0I:(DE-Juel1)JCNS-1-20110106$$gJCNS$$kJCNS-1$$lNeutronenstreuung$$x1
000018981 970__ $$aVDB:(DE-Juel1)133697
000018981 9801_ $$aFullTexts
000018981 980__ $$aVDB
000018981 980__ $$aConvertedRecord
000018981 980__ $$ajournal
000018981 980__ $$aI:(DE-Juel1)ICS-1-20110106
000018981 980__ $$aI:(DE-Juel1)JCNS-1-20110106
000018981 980__ $$aUNRESTRICTED
000018981 980__ $$aJUWEL
000018981 980__ $$aFullTexts
000018981 981__ $$aI:(DE-Juel1)IBI-8-20200312
000018981 981__ $$aI:(DE-Juel1)JCNS-1-20110106