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Main Title Comparative Analysis of the Electrostatic Potentials of Dibenzofuran and Some Dibenzo-p-dioxins.
Author Murray, J. S. ; Zilles, B. A. ; Jayasuriya, K. ; Politzer, P. ;
CORP Author New Orleans Univ., LA. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1986
Year Published 1986
Report Number EPA/600/J-86/515;
Stock Number PB90-113481
Additional Subjects Electrochemistry ; Electrostatics ; Comparison ; Reprints ; Dibenzofuran ; Dibenzo-p-dioxins
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NTIS  PB90-113481 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 6p
Abstract Electrostatic potential maps of dibenzofuran, dibenzo-p-dioxin, 2,8-dichloro-3,7-demethyldibenzo-p-dioxin, 2,3,7,8-tetrafluorodibenzo-p-dioxin and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) are presented and compared. The biological activities of these molecules increase from zero for the first two to very strong for the highly toxic TCDD. The analysis of the electrostatic potentials suggests certain key features that may be necessary for the effective interaction of these classes of compounds with a cytosolic receptor, which is believed to be the initial step leading to various toxic responses and other biological activity. (Copyright (c) 1988 American Chemical Society.)
Supplementary Notes Pub. in Jnl. of the American Chemical Society, v108 n5 p915-918 1986. Sponsored by Health Effects Research Lab., Research Triangle Park, NC.
NTIS Title Notes Journal article.
Title Annotations Reprint: Comparative Analysis of the Electrostatic Potentials of Dibenzofuran and Some Dibenzo-p-dioxins.
Category Codes 99A
NTIS Prices PC A02/MF A01
Primary Description 600/10
Document Type NT
Cataloging Source NTIS/MT
Control Number 935220573
Origin NTIS
Type CAT