In silico design for synthesis of molecularly imprinted microspheres specific towards bisphenol A by precipitation polymerization

Bülow, Leif; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Ye, Lei

In silico design for synthesis of molecularly imprinted microspheres specific towards bisphenol A by precipitation polymerization

dc.contributor.author	Bülow, Leif	de
dc.contributor.author	Isarankura-Na-Ayudhya, Chartchalerm	de
dc.contributor.author	Nantasenamat, Chanin	de
dc.contributor.author	Prachayasittikul, Virapong	de
dc.contributor.author	Ye, Lei	de
dc.date.accessioned	2008-06-17T14:05:35Z
dc.date.available	2008-06-17T14:05:35Z
dc.date.issued	2006-09-26	de
dc.description.abstract	Bisphenol A (BPA), a ubiquitous chemical used in industries, has attracted great attention due to its widespread leakage to the environment and foodstuff. This has spurred great interest in the preparation of synthetic polymers capable of selectively sequestering BPA. In this study, theoretical calculation was utilized to confirm the selection of suitable functional monomer capable of strong interaction with BPA. It was found that 4-vinylpyridine was the optimal functional monomer as demonstrated in the literature. A series of molecularly imprinted polymers (MIPs) were prepared by varying the functional monomer, cross-linker, and porogen. After template removal, rebinding with the original template molecule was carried out in acetonitrile, acetonitrile/water (50/50 - 20/80, v/v). 4-vinylpyridine co-polymerized with ethylene glycol dimethacrylate (4VPY-co-EDMA) and 4-vinylpyridine co-polymerized with trimethylolpropane trimethacrylate (4VPY-co-TRIM) were found to exhibit good binding performance towards bisphenol A in acetonitrile. However, only 4VPY-co-EDMA was able to maintain its imprinting effect in acetonitrile/water (50/50 v/v) whereas 4VPY-co-TRIM totally lost its imprinting effect.	en
dc.identifier.issn	1611-2156	de
dc.identifier.uri	http://hdl.handle.net/2003/25668
dc.identifier.uri	http://dx.doi.org/10.17877/DE290R-8284
dc.language.iso	en	de
dc.relation.ispartofseries	EXCLI Journal ; Vol. 5, 2006	en
dc.subject	Bisphenol A	en
dc.subject	estrogen disruptor	en
dc.subject	microspheres	en
dc.subject	molecular imprinting	en
dc.subject	precipitation polymerization	en
dc.subject.ddc	610
dc.title	In silico design for synthesis of molecularly imprinted microspheres specific towards bisphenol A by precipitation polymerization	en
dc.type	Text	de
dc.type.publicationtype	article	de
dcterms.accessRights	open access
eldorado.dnb.zdberstkatid	2132560-1

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