Abstract
2-methylphenoxyacetic acid (2-MPA), 2-methyl-4-chlorophenxyacetic acid (MCPA) and 4-chlorophenoxyacetic acid (4-CPA) were imprinted to investigate the cross-selectivities of molecularly imprinted polymers (MIPs). The result indicates that 2-MPA, which is similar in shape, size and functionality with phenoxyacetic herbicides, are suitable to be used as a suitable template to prepare the MIPs for retaining phenoxyacetic herbicides. To study the ion-pair interactions between template molecules and functional monomer 4-vinylpiridine (4-VP), computational molecular modeling was employed. The data indicate that the cross-selectivities of MIPs for phenoxyacetic acid herbicides depend on the binding energies of complexes.
Highlights
Phenoxyacetic acids are widely used in agriculture as herbicides or hormone mimics
When they are used for solid phase extraction (SPE), the leakage of a trace amount of the imprinted molecules remaining in the molecularly imprinted polymers (MIPs) has hindered the accurate and precise assay of the target analyte [17]
The bleeding template phenomenon could result in inaccurate quantification, especially at low concentration residue levels
Summary
Phenoxyacetic acids are widely used in agriculture as herbicides or hormone mimics This series of compounds include 2,4-dichlorophenoxyacetic acid (2,4-D), 2-methyl-4-chlorophenxyacetic acid (MCPA), 4-chlorophenoxyacetic acid (4-CPA), etc. MIPs are synthesized by using a target molecule as template When they are used for solid phase extraction (SPE), the leakage of a trace amount of the imprinted molecules remaining in the MIPs has hindered the accurate and precise assay of the target analyte [17]. To overcome this problem, a structural analogue of the analyte is used as a “dummy template” molecule and separated from the target molecules during chromatographic analysis [18, 19]. In order to investigate the recognition mechanism of ion-pair interactions, computational molecular modeling is employed here to simulate the combination of a 1:1 template: monomer complex
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