About: Multivariate toxicity profiles and QSAR modeling of non-dioxin-like PCBs - An investigation of in vitro screening data from ultra-pure congeners

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About: Multivariate toxicity profiles and QSAR modeling of non-dioxin-like PCBs - An investigation of in vitro screening data from ultra-pure congeners Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The non-dioxin-like PCBs (NDL-PCBs) found in food and human samples have a complex spectrum of adverse effects, but lack a detailed risk assessment. The toxicity profiles of 21 carefully selected PCBs (19 NDL-PCBs) were identified by in vitro screening in 17 different assays on specific endpoints related to neurotoxicity, endocrine disruption and tumor promotion. To ensure that the test results were not affected by polychlorinated dioxins, dibenzofurans or DL-PCB contaminants, the NDL-PCB congeners were thoroughly purified before testing. Principal component analysis (PCA) was used to derive general toxicity profiles from the in vitro screening data. The toxicity profiles indicated different structure-activity relationships (SAR) and distinct mechanisms of action. The analysis also indicated that the NDL-PCBs could be divided into two groups. The first group included generally smaller, ortho-substituted congeners, comprising PCB 28, 47, 51, 52, 53, 95, 100, 101, 104 and 136, with PCB 95, 101 and 136 as generally being most active. The second group comprising PCB 19, 74, 118, 122, 128, 138, 153, 170, 180 and 190 had lower biological activity in many of the assays, except for three endocrine-related assays. The most abundant congeners, PCB 138, 153, 170, 180 and 190, cluster in the second group, and thereby show similar SAR. Two quantitative structure-activity relationship (QSAR) models could be developed that added information to the SAR and could aid in risk assessments of NDL-PCBs. The QSAR models predicted a number of congeners as active and among these e.g., PCB 18, 25,45 and 49 have been found in food or human samples. The non-dioxin-like PCBs (NDL-PCBs) found in food and human samples have a complex spectrum of adverse effects, but lack a detailed risk assessment. The toxicity profiles of 21 carefully selected PCBs (19 NDL-PCBs) were identified by in vitro screening in 17 different assays on specific endpoints related to neurotoxicity, endocrine disruption and tumor promotion. To ensure that the test results were not affected by polychlorinated dioxins, dibenzofurans or DL-PCB contaminants, the NDL-PCB congeners were thoroughly purified before testing. Principal component analysis (PCA) was used to derive general toxicity profiles from the in vitro screening data. The toxicity profiles indicated different structure-activity relationships (SAR) and distinct mechanisms of action. The analysis also indicated that the NDL-PCBs could be divided into two groups. The first group included generally smaller, ortho-substituted congeners, comprising PCB 28, 47, 51, 52, 53, 95, 100, 101, 104 and 136, with PCB 95, 101 and 136 as generally being most active. The second group comprising PCB 19, 74, 118, 122, 128, 138, 153, 170, 180 and 190 had lower biological activity in many of the assays, except for three endocrine-related assays. The most abundant congeners, PCB 138, 153, 170, 180 and 190, cluster in the second group, and thereby show similar SAR. Two quantitative structure-activity relationship (QSAR) models could be developed that added information to the SAR and could aid in risk assessments of NDL-PCBs. The QSAR models predicted a number of congeners as active and among these e.g., PCB 18, 25,45 and 49 have been found in food or human samples. (en)
Title	Multivariate toxicity profiles and QSAR modeling of non-dioxin-like PCBs - An investigation of in vitro screening data from ultra-pure congeners Multivariate toxicity profiles and QSAR modeling of non-dioxin-like PCBs - An investigation of in vitro screening data from ultra-pure congeners (en)
skos:prefLabel	Multivariate toxicity profiles and QSAR modeling of non-dioxin-like PCBs - An investigation of in vitro screening data from ultra-pure congeners Multivariate toxicity profiles and QSAR modeling of non-dioxin-like PCBs - An investigation of in vitro screening data from ultra-pure congeners (en)
skos:notation	RIV/00027162:_____/12:#0000947!RIV13-MZE-00027162
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MZE0002716202)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Machala, Miroslav
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Výzkumný ústav veterinárního lékařství, v.v.i.
http://linked.open...dnocenehoVysledku	152489
http://linked.open...ai/riv/idVysledku	RIV/00027162:_____/12:#0000947
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Non-dioxin-like PCBs; Ultra-pure; In vitro screening; Toxicity profiles; Principal component analysis; QSAR (en)
http://linked.open.../riv/klicoveSlovo	Principal component analysis QSAR In vitro screening Non-dioxin-like PCBs Toxicity profiles Ultra-pure
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[90A40548D14D]
http://linked.open...i/riv/nazevZdroje	Chemosphere
http://linked.open...in/vavai/riv/obor	DN
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	10 (xsd:int)
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	85
http://linked.open...iv/tvurceVysledku	Machala, Miroslav Andersson, P. L. Hamers, T. Stenberg, M. Fernandes, E. C. A. Fonnum, F. Lauy, A. Stenius, U. Westerink, R. H. S. van Duursen, M. B. M.
http://linked.open...ain/vavai/riv/wos	000298459000002
http://linked.open...n/vavai/riv/zamer	Animal disease research, prevention and food chain protection
issn	0045-6535
number of pages	7 (xsd:int)

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