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Design and implementation of an imprinted material for the extraction of the endocrine disruptor bisphenol A from milk
•An imprinted polymer for bisphenol A was designed with hydroquinone as template.•MIP-SPE method for bisphenol A in milk was developed and validated.•Testing milk samples, bisphenol A was identified in one at a level of 176μgkg−1.•BPA self-association effects were examined with crystallography.•Pre-...
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| Published in: | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences Analytical technologies in the biomedical and life sciences, 2013-07, Vol.931, p.164-169 |
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| cites | cdi_FETCH-LOGICAL-c488t-e2cc649c01f1d72fc2000ca24d037e68890eee96b4df500e5929fb8bd48d46fb3 |
| container_end_page | 169 |
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| container_title | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
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| creator | O’Mahony, John Moloney, Mary McCormack, Martin Nicholls, Ian A. Mizaikoff, Boris Danaher, Martin |
| description | •An imprinted polymer for bisphenol A was designed with hydroquinone as template.•MIP-SPE method for bisphenol A in milk was developed and validated.•Testing milk samples, bisphenol A was identified in one at a level of 176μgkg−1.•BPA self-association effects were examined with crystallography.•Pre-polymerization interactions were studied using molecular dynamics simulations.
This paper describes the determination of bisphenol A (BPA) in milk samples, using a novel molecularly imprinted polymer. The imprinted polymer was developed using a rational design approach, and pre-polymerization interactions were investigated using molecular dynamics simulations and X-ray crystallography. A hydroquinone-imprinted polymer was used for solid phase extraction (SPE) clean-up of samples. BPA was quantified by high performance liquid chromatography (HPLC) and fluorescence (FLD) detection. Following validation, the method described was capable of determining bisphenol A in milk down to a limit of detection of 1.32μgkg−1. The method was applied to a survey (n=27) of commercial milk products; BPA was detected in one of the samples, at a level of 176μgkg−1. Test results were confirmed by a parallel UHPLC–MS/MS analytical method. This demonstrates the utility of the hydroquinone-imprinted polymer for application to selective sample clean-up and analysis of bisphenol A in milk, avoiding possible detrimental affects associated with template bleeding and without the need for expensive or difficult-to-obtain template. |
| doi_str_mv | 10.1016/j.jchromb.2013.05.025 |
| format | article |
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This paper describes the determination of bisphenol A (BPA) in milk samples, using a novel molecularly imprinted polymer. The imprinted polymer was developed using a rational design approach, and pre-polymerization interactions were investigated using molecular dynamics simulations and X-ray crystallography. A hydroquinone-imprinted polymer was used for solid phase extraction (SPE) clean-up of samples. BPA was quantified by high performance liquid chromatography (HPLC) and fluorescence (FLD) detection. Following validation, the method described was capable of determining bisphenol A in milk down to a limit of detection of 1.32μgkg−1. The method was applied to a survey (n=27) of commercial milk products; BPA was detected in one of the samples, at a level of 176μgkg−1. Test results were confirmed by a parallel UHPLC–MS/MS analytical method. This demonstrates the utility of the hydroquinone-imprinted polymer for application to selective sample clean-up and analysis of bisphenol A in milk, avoiding possible detrimental affects associated with template bleeding and without the need for expensive or difficult-to-obtain template.</description><identifier>ISSN: 1570-0232</identifier><identifier>EISSN: 1873-376X</identifier><identifier>DOI: 10.1016/j.jchromb.2013.05.025</identifier><identifier>PMID: 23797111</identifier><language>eng</language><publisher>Netherlands: Elsevier B.V</publisher><subject>Animals ; Benzhydryl Compounds - analysis ; Benzhydryl Compounds - chemistry ; Benzhydryl Compounds - isolation & purification ; Bisphenol A ; Cattle ; Chromatography, High Pressure Liquid - methods ; Cleaning ; Design engineering ; detection limit ; Endocrine Disruptors - analysis ; Endocrine Disruptors - chemistry ; Endocrine Disruptors - isolation & purification ; endocrine-disrupting chemicals ; Extraction ; fluorescence ; hemorrhage ; High performance liquid chromatography ; HPLC-FLD ; Hydroquinones - chemistry ; Imprinted polymers ; Limit of Detection ; Milk ; Milk - chemistry ; MIP ; Molecular dynamics ; Molecular Imprinting ; Phenols - analysis ; Phenols - chemistry ; Phenols - isolation & purification ; polymers ; Polymers - chemistry ; Reproducibility of Results ; Solid Phase Extraction ; SPE ; surveys ; Tandem Mass Spectrometry ; UHPLC–MS/MS ; X-ray diffraction</subject><ispartof>Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 2013-07, Vol.931, p.164-169</ispartof><rights>2013 Elsevier B.V.</rights><rights>Copyright © 2013 Elsevier B.V. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c488t-e2cc649c01f1d72fc2000ca24d037e68890eee96b4df500e5929fb8bd48d46fb3</citedby><cites>FETCH-LOGICAL-c488t-e2cc649c01f1d72fc2000ca24d037e68890eee96b4df500e5929fb8bd48d46fb3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,786,790,27957,27958</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/23797111$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>O’Mahony, John</creatorcontrib><creatorcontrib>Moloney, Mary</creatorcontrib><creatorcontrib>McCormack, Martin</creatorcontrib><creatorcontrib>Nicholls, Ian A.</creatorcontrib><creatorcontrib>Mizaikoff, Boris</creatorcontrib><creatorcontrib>Danaher, Martin</creatorcontrib><title>Design and implementation of an imprinted material for the extraction of the endocrine disruptor bisphenol A from milk</title><title>Journal of chromatography. B, Analytical technologies in the biomedical and life sciences</title><addtitle>J Chromatogr B Analyt Technol Biomed Life Sci</addtitle><description>•An imprinted polymer for bisphenol A was designed with hydroquinone as template.•MIP-SPE method for bisphenol A in milk was developed and validated.•Testing milk samples, bisphenol A was identified in one at a level of 176μgkg−1.•BPA self-association effects were examined with crystallography.•Pre-polymerization interactions were studied using molecular dynamics simulations.
This paper describes the determination of bisphenol A (BPA) in milk samples, using a novel molecularly imprinted polymer. The imprinted polymer was developed using a rational design approach, and pre-polymerization interactions were investigated using molecular dynamics simulations and X-ray crystallography. A hydroquinone-imprinted polymer was used for solid phase extraction (SPE) clean-up of samples. BPA was quantified by high performance liquid chromatography (HPLC) and fluorescence (FLD) detection. Following validation, the method described was capable of determining bisphenol A in milk down to a limit of detection of 1.32μgkg−1. The method was applied to a survey (n=27) of commercial milk products; BPA was detected in one of the samples, at a level of 176μgkg−1. Test results were confirmed by a parallel UHPLC–MS/MS analytical method. This demonstrates the utility of the hydroquinone-imprinted polymer for application to selective sample clean-up and analysis of bisphenol A in milk, avoiding possible detrimental affects associated with template bleeding and without the need for expensive or difficult-to-obtain template.</description><subject>Animals</subject><subject>Benzhydryl Compounds - analysis</subject><subject>Benzhydryl Compounds - chemistry</subject><subject>Benzhydryl Compounds - isolation & purification</subject><subject>Bisphenol A</subject><subject>Cattle</subject><subject>Chromatography, High Pressure Liquid - methods</subject><subject>Cleaning</subject><subject>Design engineering</subject><subject>detection limit</subject><subject>Endocrine Disruptors - analysis</subject><subject>Endocrine Disruptors - chemistry</subject><subject>Endocrine Disruptors - isolation & purification</subject><subject>endocrine-disrupting chemicals</subject><subject>Extraction</subject><subject>fluorescence</subject><subject>hemorrhage</subject><subject>High performance liquid chromatography</subject><subject>HPLC-FLD</subject><subject>Hydroquinones - chemistry</subject><subject>Imprinted polymers</subject><subject>Limit of Detection</subject><subject>Milk</subject><subject>Milk - chemistry</subject><subject>MIP</subject><subject>Molecular dynamics</subject><subject>Molecular Imprinting</subject><subject>Phenols - analysis</subject><subject>Phenols - chemistry</subject><subject>Phenols - isolation & purification</subject><subject>polymers</subject><subject>Polymers - chemistry</subject><subject>Reproducibility of Results</subject><subject>Solid Phase Extraction</subject><subject>SPE</subject><subject>surveys</subject><subject>Tandem Mass Spectrometry</subject><subject>UHPLC–MS/MS</subject><subject>X-ray diffraction</subject><issn>1570-0232</issn><issn>1873-376X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNqFkU2PFCEQhjtG466rP0Hl6KXbArqb5mQ262eyiQfdxBuhodhh7IYRmI3-exln1uueIG-eKop6muYlhY4CHd9uu63ZpLjOHQPKOxg6YMOj5pxOgrdcjD8e1_sgoAXG2VnzLOctABUg-NPmjHEhBaX0vLl7j9nfBqKDJX7dLbhiKLr4GEh0NT2EyYeClqy6YPJ6IS4mUjZI8HdJ2tyz_5Jgo6k4Eutz2u9KJWefdxsMcSGXxNWByeqXn8-bJ04vGV-czovm5uOH71ef2-uvn75cXV63pp-m0iIzZuylAeqoFcwZBgBGs94CFzhOkwRElOPcWzcA4CCZdPM0236y_ehmftG8Ofbdpfhrj7mo1WeDy6IDxn1WdKC8F0Iw-TDKJZ-onChUdDiiJsWcEzpVd7Tq9EdRUAc7aqtOdtTBjoJBVTu17tXpif28ov1fda-jAq-PgNNR6dvks7r5VjuM9dujkExU4t2RwLq1O49JZeMxGLQ-oSnKRv_AEH8BTBGuHA</recordid><startdate>20130715</startdate><enddate>20130715</enddate><creator>O’Mahony, John</creator><creator>Moloney, Mary</creator><creator>McCormack, Martin</creator><creator>Nicholls, Ian A.</creator><creator>Mizaikoff, Boris</creator><creator>Danaher, Martin</creator><general>Elsevier B.V</general><scope>FBQ</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>7TB</scope><scope>8FD</scope><scope>FR3</scope></search><sort><creationdate>20130715</creationdate><title>Design and implementation of an imprinted material for the extraction of the endocrine disruptor bisphenol A from milk</title><author>O’Mahony, John ; Moloney, Mary ; McCormack, Martin ; Nicholls, Ian A. ; Mizaikoff, Boris ; Danaher, Martin</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c488t-e2cc649c01f1d72fc2000ca24d037e68890eee96b4df500e5929fb8bd48d46fb3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Animals</topic><topic>Benzhydryl Compounds - analysis</topic><topic>Benzhydryl Compounds - chemistry</topic><topic>Benzhydryl Compounds - isolation & purification</topic><topic>Bisphenol A</topic><topic>Cattle</topic><topic>Chromatography, High Pressure Liquid - methods</topic><topic>Cleaning</topic><topic>Design engineering</topic><topic>detection limit</topic><topic>Endocrine Disruptors - analysis</topic><topic>Endocrine Disruptors - chemistry</topic><topic>Endocrine Disruptors - isolation & purification</topic><topic>endocrine-disrupting chemicals</topic><topic>Extraction</topic><topic>fluorescence</topic><topic>hemorrhage</topic><topic>High performance liquid chromatography</topic><topic>HPLC-FLD</topic><topic>Hydroquinones - chemistry</topic><topic>Imprinted polymers</topic><topic>Limit of Detection</topic><topic>Milk</topic><topic>Milk - chemistry</topic><topic>MIP</topic><topic>Molecular dynamics</topic><topic>Molecular Imprinting</topic><topic>Phenols - analysis</topic><topic>Phenols - chemistry</topic><topic>Phenols - isolation & purification</topic><topic>polymers</topic><topic>Polymers - chemistry</topic><topic>Reproducibility of Results</topic><topic>Solid Phase Extraction</topic><topic>SPE</topic><topic>surveys</topic><topic>Tandem Mass Spectrometry</topic><topic>UHPLC–MS/MS</topic><topic>X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>O’Mahony, John</creatorcontrib><creatorcontrib>Moloney, Mary</creatorcontrib><creatorcontrib>McCormack, Martin</creatorcontrib><creatorcontrib>Nicholls, Ian A.</creatorcontrib><creatorcontrib>Mizaikoff, Boris</creatorcontrib><creatorcontrib>Danaher, Martin</creatorcontrib><collection>AGRIS</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>Technology Research Database</collection><collection>Engineering Research Database</collection><jtitle>Journal of chromatography. B, Analytical technologies in the biomedical and life sciences</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>O’Mahony, John</au><au>Moloney, Mary</au><au>McCormack, Martin</au><au>Nicholls, Ian A.</au><au>Mizaikoff, Boris</au><au>Danaher, Martin</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Design and implementation of an imprinted material for the extraction of the endocrine disruptor bisphenol A from milk</atitle><jtitle>Journal of chromatography. B, Analytical technologies in the biomedical and life sciences</jtitle><addtitle>J Chromatogr B Analyt Technol Biomed Life Sci</addtitle><date>2013-07-15</date><risdate>2013</risdate><volume>931</volume><spage>164</spage><epage>169</epage><pages>164-169</pages><issn>1570-0232</issn><eissn>1873-376X</eissn><notes>http://dx.doi.org/10.1016/j.jchromb.2013.05.025</notes><notes>ObjectType-Article-1</notes><notes>SourceType-Scholarly Journals-1</notes><notes>ObjectType-Feature-2</notes><notes>content type line 23</notes><notes>ObjectType-Article-2</notes><notes>ObjectType-Feature-1</notes><abstract>•An imprinted polymer for bisphenol A was designed with hydroquinone as template.•MIP-SPE method for bisphenol A in milk was developed and validated.•Testing milk samples, bisphenol A was identified in one at a level of 176μgkg−1.•BPA self-association effects were examined with crystallography.•Pre-polymerization interactions were studied using molecular dynamics simulations.
This paper describes the determination of bisphenol A (BPA) in milk samples, using a novel molecularly imprinted polymer. The imprinted polymer was developed using a rational design approach, and pre-polymerization interactions were investigated using molecular dynamics simulations and X-ray crystallography. A hydroquinone-imprinted polymer was used for solid phase extraction (SPE) clean-up of samples. BPA was quantified by high performance liquid chromatography (HPLC) and fluorescence (FLD) detection. Following validation, the method described was capable of determining bisphenol A in milk down to a limit of detection of 1.32μgkg−1. The method was applied to a survey (n=27) of commercial milk products; BPA was detected in one of the samples, at a level of 176μgkg−1. Test results were confirmed by a parallel UHPLC–MS/MS analytical method. This demonstrates the utility of the hydroquinone-imprinted polymer for application to selective sample clean-up and analysis of bisphenol A in milk, avoiding possible detrimental affects associated with template bleeding and without the need for expensive or difficult-to-obtain template.</abstract><cop>Netherlands</cop><pub>Elsevier B.V</pub><pmid>23797111</pmid><doi>10.1016/j.jchromb.2013.05.025</doi><tpages>6</tpages></addata></record> |
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| source | ScienceDirect Freedom Collection 2022-2024 |
| subjects | Animals Benzhydryl Compounds - analysis Benzhydryl Compounds - chemistry Benzhydryl Compounds - isolation & purification Bisphenol A Cattle Chromatography, High Pressure Liquid - methods Cleaning Design engineering detection limit Endocrine Disruptors - analysis Endocrine Disruptors - chemistry Endocrine Disruptors - isolation & purification endocrine-disrupting chemicals Extraction fluorescence hemorrhage High performance liquid chromatography HPLC-FLD Hydroquinones - chemistry Imprinted polymers Limit of Detection Milk Milk - chemistry MIP Molecular dynamics Molecular Imprinting Phenols - analysis Phenols - chemistry Phenols - isolation & purification polymers Polymers - chemistry Reproducibility of Results Solid Phase Extraction SPE surveys Tandem Mass Spectrometry UHPLC–MS/MS X-ray diffraction |
| title | Design and implementation of an imprinted material for the extraction of the endocrine disruptor bisphenol A from milk |
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