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Polycyclic aromatic hydrocarbons: from in cerebro to in silico eco-toxicity fate [articol]

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dc.contributor.author Tudoran, M. A.
dc.contributor.author Putz, Mihai V.
dc.date.accessioned 2020-05-05T07:05:58Z
dc.date.accessioned 2021-03-01T08:37:42Z
dc.date.available 2020-05-05T07:05:58Z
dc.date.available 2021-03-01T08:37:42Z
dc.date.issued 2012
dc.identifier.citation Tudoran, M. A.. Polycyclic aromatic hydrocarbons : from in cerebro to in silico eco-toxicity fate. Timişoara: Editura Politehnica, 2012 en_US
dc.identifier.uri http://primo.upt.ro:1701/primo-explore/search?query=any,contains,Polycyclic%20aromatic%20hydrocarbons:%20from%20in%20cerebro%20to%20in%20silico%20eco-toxicity%20fate&tab=default_tab&search_scope=40TUT&vid=40TUT_V1&lang=ro_RO&offset=0 Link Primo
dc.description.abstract The connection between structure and activity of chemical environmental molecules such as polycyclic aromatic hydrocarbons (PAHs) are quantitatively explored of three main research directions: one is referring to spectroscopy studies, including mass spectroscopy, chromatography, and astrophysics; the second direction approaches several toxicity studies made on the PAHs effects, i.e. ecotoxicity, mutagenity, carcinogenity, citotoxicity, and the biodegradable features; the third direction unfolds computational aspects of PAHs. The in silico bio/eco activities are nowadays provided by OECD Toolbox in silico facility: this is a program which can predict activities effects using various regression techniques, so that the laboratory testing is no longer needed. As an application, Toolbox results on some chlorinated PAHs molecules – specifically the values for bioaccumulation aquatic on Pimephales promelas, aquatic toxicity (LC50) on Pimephales promelas, and carcinogenity on Rats TD50 are inter correlated along the breast mammalian cancer EROD (ethoxyresorufin-O-deethylase) activity are inter-correlated on a hyper-surface towards assessing structural rules of Cl-addition and extended catafused benzoids on environmental fate of toxicity. en_US
dc.language.iso en en_US
dc.publisher Timişoara: Editura Politehnica en_US
dc.relation.ispartofseries Buletinul ştiinţific al Universităţii „Politehnica” din Timişoara, România. Seria chimie şi ingineria mediului, Tom 57(71), fasc. 1 (2012), p. 50-53
dc.subject Chimie organică en_US
dc.subject Compuși organici en_US
dc.subject Articol en_US
dc.subject Chemical structure en_US
dc.subject Biological activity en_US
dc.subject ToolBox facility en_US
dc.subject Cl-PAH en_US
dc.subject Inter-species activity hyper-surface en_US
dc.title Polycyclic aromatic hydrocarbons: from in cerebro to in silico eco-toxicity fate [articol] en_US
dc.type Article en_US

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