| Main Title |
Relationships between the Electrostatic Potential, Epoxide Hydrase Inhibition and Carcinogenicity for Some Hydrocarbon and Halogenated Hydrocarbon Epoxides. Volume 5, Number 6, with Cover Letter dated 04/26/85. |
| CORP Author |
New Orleans Univ., LA. Dept. of Chemistry.;Environmental Protection Agency, Washington, DC. Office of Toxic Substances. |
| Publisher |
May 1985 |
| Year Published |
1985 |
| Report Number |
FYI-OTS-0385-0397-FW; |
| Stock Number |
OTS-0000397-1 |
| Additional Subjects |
Carcinogencity ;
Relationships ;
Hydrocarbons ;
Biological activity ;
Epoxides ;
Electrostatic potential ;
Epoxide hydrase inhibition ;
Hydrocarbon epoxides ;
Halogenated hydrocarbon epoxides ;
Chemical hazards
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
OTS-0000397-1 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
94p |
| Abstract |
For a group of nine hydrocarbon and halogenated hydrocarbon expoxide, there is shown to be a good correlation between their abilities to inhibit epoxide hydrase and the quantity V (sub min), E (sub s) where V (sub min) is the most negative value of the molecule's electrostatic potential in the neighborhood of the epoxide oxygen and E (sub s ) is a factor that take account of steric effects. It is also demonstrated that carcinogenicity, for thirteen epoxides, appears to be associated with V (sub min) having a relatively large negative value. On this basis, several other epoxides are predicted to be carcinogenic. The electrostatic potentials used in developing these relationships have been computed by an ab initio self-consistent-field molecular orbital procedure, using optimized molecular geometries. |
| Supplementary Notes |
The quality of the documents listed in the Office of Toxic Substances database may not meet usual NTIS standards but are included to further the opportunity for the scientific and technical community to locate materials which may not be available elsewhere. The content is the responsibility of OTS. Prepared in cooperation with American Petroleum Inst., Washington, DC. |
| Availability Notes |
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| Category Codes |
99 |
| NTIS Prices |
PC A06/MF$25.00 |
| Document Type |
NT |
| Cataloging Source |
NTIS/MT |
| Control Number |
010001470 |
| Origin |
NTIS |
| Type |
CAT |
