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Quantum-chemical studies on mutagenicity of aromatic and heteroaromatic amines .
MedLine Citation:
PMID:  23277072     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
Arylamines are well-known as widespread industrial and environmental mutagens and carcinogens. Their bioactivity stems from enzymatic metabolic activation to reactive and highly electrophilic intermediates. In this work, computational investigations related to the biological activity of these compounds have been reviewed, especially focusing on studies reporting results from quantum-mechanical calculations. Correlations between relative mutagenicities and structural and electronic features of the parent amines and of their derived nitrenium ion intermediates were examined, with the aim of achieving a clearer comprehension of the main factors determining the genotoxic potential of this type of compounds.
Authors:
Gabriela L Borosky
Publication Detail:
Type:  Journal Article     Date:  2013-01-01
Journal Detail:
Title:  Frontiers in bioscience (Scholar edition)     Volume:  5     ISSN:  1945-0524     ISO Abbreviation:  Front Biosci (Schol Ed)     Publication Date:  2013  
Date Detail:
Created Date:  2013-01-01     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101485241     Medline TA:  Front Biosci (Schol Ed)     Country:  United States    
Other Details:
Languages:  eng     Pagination:  600-10     Citation Subset:  IM    
Affiliation:
Departamento de Matematica y Fisica, INFIQC, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Ciudad Universitaria, Cordoba 5000, Argentina.
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