Effect of Solvents on the Adsorption Properties of Benzo[α]pyrene-imprinted Polymers

Bhagat, Bhagyashree; Krupadam, Reddithota J.

doi:10.1260/0263-6174.28.1.79

Cited by 2 publications

(1 citation statement)

References 18 publications

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“…The pre-polymer complex formed between BAP-MAA and BAP-4-VP is influenced significantly by the nature of the solvent [30]. Therefore, the stability, ΔE sol , of BAP, MAA and 4VP in the different solvents, namely acetonitrile …”

Section: Simulations In Solventsmentioning

confidence: 99%

Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approach

2011

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A combinatorial screening procedure was used for the selection of polymer precursors in the preparation of molecularly imprinted polymer (MIP), which is useful in the detection of the air pollution marker molecule benzo[a]pyrene (BAP). Molecular imprinting is a technique for the preparation of polymer materials with specific molecular recognition receptors. The preparation of imprinted polymers requires polymer precursors such as functional monomer, cross-linking monomer, solvent, an initiator of polymerization and thermal or UV radiation. A virtual library of functional monomers was prepared based on interaction binding scores computed using HyperChem Release 8.0 software. Initially, the possible minimum energy conformation of the monomers and BAP were optimized using the semi-empirical (PM3) quantum method. The binding energy between the functional monomer and the template (BAP) was computed using the Hartree-Fock (HF) method with 6-31 G basis set, which is an ab initio approach based on Moller-Plesset second order perturbation theory (MP2). From the computations, methacrylic acid (MAA) and ethylene glycol dimethacrylate (EGDMA) were selected for preparation of BAP imprinted polymer. The larger interaction energy (ΔE) represents possibility of more affinity binding sites formation in the polymer, which provides high binding capacity. The theoretical predictions were complimented through adsorption experiments. There is a good agreement between experimental binding results and theoretical computations, which provides further evidence of the validity of the usefulness of computational screening procedures in the selection of appropriate MIP precursors in an experiment-free way.

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Section: Simulations In Solventsmentioning

confidence: 99%

Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approach

2011

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Molecular imprinting science and technology: a survey of the literature for the years 2004-2011

2014

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SummaryHerein we present a survey of the literature covering the development of molecular imprinting science and technology over the years 2004 to 2011. In total, 3779 references to the original papers, reviews, edited volumes and monographs from this period are included, along with recently identified uncited materials from prior to 2004 which were omitted in the first instalment of this series covering the years 1930 to 2003. 1 In the presentation of the assembled references, a section presenting reviews and monographs covering the area is followed by sections describing fundamental aspects of molecular imprinting including the development of novel polymer formats. Thereafter, literature describing efforts to apply these polymeric materials to a range of application areas is presented. Current trends and areas of rapid development are discussed.2

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Effect of Solvents on the Adsorption Properties of Benzo[α]pyrene-imprinted Polymers

Cited by 2 publications

References 18 publications

Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approach

Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approach

Molecular imprinting science and technology: a survey of the literature for the years 2004-2011

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