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

NATALIA L. PACIONI; ADRIANA B: PIERINI; ALICIA V. VEGLIA

SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.

PERGAMON-ELSEVIER SCIENCE LTD

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

1386-1425

etailed insights regarding the inclusion process between b-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 bcyclodextrin.