Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
Mechanism-based quantitative structure-phytotoxicity relationships comparative inhibition of substituted phenols on root elongation of Cucumis sativus
Autore:
Wang, X; Wang, Y; Chunsheng, Y; Wang, L; Han, S;
Indirizzi:
Nanjing Univ, Sch Environm, State Key Lab Pollut Control & Resources Reuse, Nanjing 210093, Peoples R China Nanjing Univ Nanjing Peoples R China 210093 jing 210093, Peoples R China
Titolo Testata:
ARCHIVES OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY
fascicolo: 1, volume: 42, anno: 2002,
pagine: 29 - 35
SICI:
0090-4341(200201)42:1<29:MQSRC>2.0.ZU;2-S
Fonte:
ISI
Lingua:
ENG
Soggetto:
TETRAHYMENA-PYRIFORMIS; TOXICITY; PIMEPHALES; CHEMICALS; SYSTEMS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Agriculture,Biology & Environmental Sciences
Life Sciences
Citazioni:
41
Recensione:
Indirizzi per estratti:
Indirizzo: Wang, X Nanjing Univ, Sch Environm, State Key Lab Pollut Control & Resources Reuse, Nanjing 210093, Peoples R China Nanjing Univ Nanjing Peoples R China 210093 093, Peoples R China
Citazione:
X. Wang et al., "Mechanism-based quantitative structure-phytotoxicity relationships comparative inhibition of substituted phenols on root elongation of Cucumis sativus", ARCH ENV C, 42(1), 2002, pp. 29-35

Abstract

Phytotoxicity of selected substituted phenols to Cucumis sativus (log1/RC50, root elongation half inhibition concentration [mol/L] in logarithmic form) was determined by using a root elongation inhibition method and quantitative structure-activity relationships (QSARs) were developed. Hydrophobicity, described by 1-octanol/water partition coefficient in logarithmic form (log K-ow) and electronic effect (characterized by the energy of the lowest unoccupied orbital, E-lumo) proved to contribute mainly to the phytotoxicity of phenols in this study. Log K-ow was used as a probe to classify the tested chemicals into subsets according to the modes of toxic action. The result indicated that the substituted phenols fell into two classes in general: narcotic phenols and bioreactive phenols. Most phenols elicited their toxic response via a polar narcosis mechanism and an excellent log K-ow-dependent QSAR was developed (log1/RC50 = 0.94 log K-ow + 2.04, n = 22, r(adj)(2)= 0.89). Selected phenols with bioreactive substructures exhibited elevated bioreactive toxicity and a strong E-lumo-dependent correlation was achieved (log1/RC50 = -0.91 E-lumo + 2.73, n = 6, r(2) (adj) = 0.81). This implied that their reactive toxicity involved mainly their in vivo electrophilic reactions. In an effort to model all chemicals without regard to their mechanisms, a highly predictive response-surface was developed with the phytotoxicity, hydrophobicity, and electrophilic reactivity (log1/RC50 = 0.66 log K-ow - 0.57 E-lumo + 2.31, n = 28, r(adj)(2) = 0.88).

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 26/01/20 alle ore 22:45:59