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The use of proton nuclear magnetic resonance spectrometry (1H NMR) for monitoring the reaction of epoxides with butylamine and predictive capabilities of the relative alkylation index (RAI) for skin sensitization by epoxides.

Abstract：

:A group of alkyl epoxides was compared for their guinea pig sensitization capacity and reactivities towards a protein-surrogate substrate, n-butylamine. Instead of the previously reported use of a titration method for determination of alkylation rate, proton nuclear magnetic resonance spectrometry (1H NMR) was used. The resulting relative alkylation indices (RAIs) were calculated in order to correlate these indices with the results of the guinea pig sensitization test data. The use of 1H NMR was determined to be a useful tool for collection of in vitro reaction rates, but there was no correlation between the RAIs and guinea pig sensitization score for this group of epoxides.

journal_name

Toxicol Appl Pharmacol

journal_title

Toxicology and applied pharmacology

authors

Betso JE,Carreon RE,Miner VM

doi

10.1016/0041-008x(91)90094-u

subject

Has Abstract

pub_date

1991-05-01 00:00:00

pages

483-8

issue

3

eissn

0041-008X

issn

1096-0333

journal_volume

108

pub_type

杂志文章

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