INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
Structural Characterization of N-methylcarbamate:beta-cyclodextrin Complexes by Experimental Methods and Molecular Dynamics Simulations
Autor/es:
NATALIA L. PACIONI; ADRIANA B. PIERINI; ALICIA V. VEGLIA
Revista:
SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.
Editorial:
PERGAMON-ELSEVIER SCIENCE LTD
Referencias:
Lugar: Amsterdam; Año: 2012
ISSN:
1386-1425
Resumen:
(Disponible on-line 10 Noviembre 2012). Cita completa actualizada: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 103 (2013) 319 - 324.
Detailed insights regarding the inclusion process between beta-cyclodextrin and the N-methylcarbamates insecticides like Bendiocarb, Carbaryl, Carbofuran and Promecarb, are proposed in bases of experimental and computational methods. The results from Fourier Transform Infrared Spectroscopy, Differential Scanning Calorimetry, Induced Circular Dichroism and Molecular Dynamics indicate that only in the case of Promecarb the interaction with the macrocycle is produced by the alkyl rest of the molecule. In all other cases the aromatic moiety is the part of the insecticide that is partially included in the cavity of beta-cyclodextrin.
