Please use this identifier to cite or link to this item: https://dspace.upt.ro/xmlui/handle/123456789/1821
Title: Polycyclic aromatic hydrocarbons: from in cerebro to in silico eco-toxicity fate [articol]
Authors: Tudoran, M. A.
Putz, Mihai V.
Subjects: Chimie organică
Compuși organici
Articol
Chemical structure
Biological activity
ToolBox facility
Cl-PAH
Inter-species activity hyper-surface
Issue Date: 2012
Publisher: Timişoara: Editura Politehnica
Citation: Tudoran, M. A.. Polycyclic aromatic hydrocarbons : from in cerebro to in silico eco-toxicity fate. Timişoara: Editura Politehnica, 2012
Series/Report no.: Buletinul ştiinţific al Universităţii „Politehnica” din Timişoara, România. Seria chimie şi ingineria mediului, Tom 57(71), fasc. 1 (2012), p. 50-53
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.
URI: http://localhost:8080/xmlui/handle/123456789/1821
Appears in Collections:Articole stiintifice/Scientific articles

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