Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD.

Abstract

The structural simplicity of native cyclodextrins (CDs) contrasts with their complex behavior in the bulk of aqueous solutions, mainly when they are combined with other cosolutes. Many scientific and industrial applications based on these molecules are supported only by empirical information. The lack of fundamental knowledge, which would allow one to… (More)
DOI: 10.1021/jp412533b

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Cite this paper

@article{Mixcoha2014SurfaceAA, title={Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD.}, author={Edgar Mixcoha and Jos{\'e} Campos-Ter{\'a}n and {\'A}ngel Pi{\~n}eiro}, journal={The journal of physical chemistry. B}, year={2014}, volume={118 25}, pages={6999-7011} }