4.6 Article

Molecularly Imprinted Polymer (MIP) for thiamethoxam: A theoretical and experimental study

Journal

JOURNAL OF MOLECULAR STRUCTURE
Volume 1231, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.molstruc.2021.129980

Keywords

DFT Calculations; Neonicotinoid insecticide; Pre-polymerization complexes; FTIR; TGA; SEM

Funding

  1. Brazilian agency CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico)
  2. Brazilian agency FAPEMIG (Fundacao de Amparo aPesquisa do Estado de Minas Gerais)
  3. FAPEMIG

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This study used Density Functional Theory calculations to study the molecularly imprinted polymer (MIP) for the TMX insecticide, with methacrylic acid and toluene as the functional monomer and solvent, respectively. The ideal MIP synthesis protocol was obtained, and the material was characterized and tested for adsorption efficiency. Preliminary tests showed that the MIP reached maximum equilibrium adsorption in approximately 30 minutes at pH 7.0.
The purpose of this work was to study from Density Functional Theory calculations the molecularly imprinted polymer (MIP) for the thiamethoxam (TMX) insecticide. As main results, it was obtained the ideal MIP synthesis protocol as being the methacrylic acid (MAA) as the functional monomer and toluene as the solvent. After the rational design, the material was synthesized and characterized by infrared, thermogravimetric, and scanning electron microscopy analyses. Preliminary adsorption tests have shown that the MIP obtained reached a maximum of equilibrium adsorption in approximately 30 min at pH 7.0, where the insecticide is in molecular form, which favors its extraction. (C) 2021 Elsevier B.V. All rights reserved.

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