Journal Article

PreJuSER-18981

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins

Kusmin, A.FZJ* ; Lechner, R. E. ; Saenger, W.

2011
American Institute of Physics Melville, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/7378  doi:10.1063/1.3518367

Abstract: 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.

Keyword(s): Cyclodextrins: chemistry (MeSH) ; Deuterium Oxide: chemistry (MeSH) ; Diffusion (MeSH) ; Rotation (MeSH) ; Scattering, Small Angle (MeSH) ; Solutions (MeSH) ; X-Ray Diffraction (MeSH) ; Cyclodextrins ; Solutions ; Deuterium Oxide ; J

Note: 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.

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Contributing Institute(s):

1. Neutronenstreuung (ICS-1)
2. Neutronenstreuung (JCNS-1)

Research Program(s):

1. BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung (P45)
2. Großgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI) (P55)

Appears in the scientific report 2011

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