Structural Characterization of N-methylcarbamate -b-cyclodextrin Complexes by Experimental Methods and Molecular Dynamics Simulations

PACIONI, N. L.; PIERINI, A. B.; VEGLIA, A. V.

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Lugar: Amsterdam; Año: 2013 vol. 103 p. 319 - 319

etailed insights regarding the inclusion process between βcyclodextrin and the N-methylcarbamates insecticides like Bendiocarb, Carbaryl, Carbofuran and Promecarb, is 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 βcyclodextrin.