Molecular Mechanics Study of the Inclusion Complexes of 2-Methyl Naphthoate with α- and β-Cyclodextrins

Madrid, Jose Manuel; Pozuelo de Diego, Javier; Mendicuti, Francisco; Mattice, Wayne L.

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Molecular Mechanics Study of the Inclusion Complexes of 2-Methyl Naphthoate with α- and β-Cyclodextrins

Author(s): Madrid, Jose Manuel; Pozuelo de Diego, Javier; Mendicuti, Francisco; Mattice, Wayne L.

Publisher: Elsevier

Issued date: 1997-06

Citation: Journal of Colloid and Interface Science, 1997, 193 (1), pp.: 112-120.

ISSN: 0021-9797

DOI: https://doi.org/10.1006/jcis.1997.5061

Sponsor: This research was supported by CICYT Grant PB94-0364, by the University of Alcalá, (UAH 017/95), and by National Science Foundation Grant DMR 9523278. We express our thanks to Mrs. Heijnen for assistance with the preparation of the manuscript.

Project: Gobierno de España. PB94-0364

Keywords: Cyclodextrins , Inclusion complexes

URI: http://hdl.handle.net/10016/24503

Rights: © Elsevier, 1997
Atribución-NoComercial-SinDerivadas 3.0 España

Abstract:

Molecular mechanics calculations were employed to study the inclusion of 2-methyl naphthoate in α- and β-cyclodextrinin vacuoand in the presence of water as a solvent. The driving forces for complexation are dominated by nonbonded van der Waals host:guest inte [+]

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