Matches in SemOpenAlex for { <https://semopenalex.org/work/W2018615914> ?p ?o ?g. }
Showing items 1 to 68 of
68
with 100 items per page.
- W2018615914 abstract "Ab initio computations are carried out to study the activity of alpha-and beta-positions metabolites of nitrosamines. Full geometric structure optimization has been done for all reactants, intermediates and transition states. The activation energies, vibrational frequencies and intrinsic reaction coordinate calculation are also performed. The results show that the activity of beta-position is higher than alpha-position. For simulating the reaction in cellular environment, a series of computations are performed in water at the same level. The results reveal that the activity of beta-position is enhanced stronger than alpha-position by solvent effect. It can be deduced that beta-electrophilic center may be the first one which alkylates on one of the DNA strands and then alpha-electrophilic center may alkylate on the other. These can explain the alkylation process of nitrosamines that would induce the crosslinks between the DNA complementary base pairs and initiate cancer finally." @default.
- W2018615914 created "2016-06-24" @default.
- W2018615914 creator A5039088967 @default.
- W2018615914 creator A5050925013 @default.
- W2018615914 creator A5076863688 @default.
- W2018615914 date "2007-05-01" @default.
- W2018615914 modified "2023-10-16" @default.
- W2018615914 title "Ab initio Researches on the Mechanism of DNA Alkylation by Nitrosamines" @default.
- W2018615914 cites W1968891867 @default.
- W2018615914 cites W1980755680 @default.
- W2018615914 cites W2032864127 @default.
- W2018615914 cites W2043453859 @default.
- W2018615914 cites W2091718960 @default.
- W2018615914 cites W2094218174 @default.
- W2018615914 cites W2147791364 @default.
- W2018615914 cites W2152002165 @default.
- W2018615914 cites W2260311945 @default.
- W2018615914 cites W2593851426 @default.
- W2018615914 doi "https://doi.org/10.1109/iccme.2007.4381745" @default.
- W2018615914 hasPublicationYear "2007" @default.
- W2018615914 type Work @default.
- W2018615914 sameAs 2018615914 @default.
- W2018615914 citedByCount "0" @default.
- W2018615914 crossrefType "proceedings-article" @default.
- W2018615914 hasAuthorship W2018615914A5039088967 @default.
- W2018615914 hasAuthorship W2018615914A5050925013 @default.
- W2018615914 hasAuthorship W2018615914A5076863688 @default.
- W2018615914 hasConcept C132439834 @default.
- W2018615914 hasConcept C147597530 @default.
- W2018615914 hasConcept C161790260 @default.
- W2018615914 hasConcept C164361826 @default.
- W2018615914 hasConcept C178790620 @default.
- W2018615914 hasConcept C185592680 @default.
- W2018615914 hasConcept C2780471494 @default.
- W2018615914 hasConcept C2781442258 @default.
- W2018615914 hasConcept C50027330 @default.
- W2018615914 hasConcept C552990157 @default.
- W2018615914 hasConcept C55493867 @default.
- W2018615914 hasConcept C71240020 @default.
- W2018615914 hasConceptScore W2018615914C132439834 @default.
- W2018615914 hasConceptScore W2018615914C147597530 @default.
- W2018615914 hasConceptScore W2018615914C161790260 @default.
- W2018615914 hasConceptScore W2018615914C164361826 @default.
- W2018615914 hasConceptScore W2018615914C178790620 @default.
- W2018615914 hasConceptScore W2018615914C185592680 @default.
- W2018615914 hasConceptScore W2018615914C2780471494 @default.
- W2018615914 hasConceptScore W2018615914C2781442258 @default.
- W2018615914 hasConceptScore W2018615914C50027330 @default.
- W2018615914 hasConceptScore W2018615914C552990157 @default.
- W2018615914 hasConceptScore W2018615914C55493867 @default.
- W2018615914 hasConceptScore W2018615914C71240020 @default.
- W2018615914 hasLocation W20186159141 @default.
- W2018615914 hasOpenAccess W2018615914 @default.
- W2018615914 hasPrimaryLocation W20186159141 @default.
- W2018615914 hasRelatedWork W2018615914 @default.
- W2018615914 hasRelatedWork W2044862829 @default.
- W2018615914 hasRelatedWork W2053695785 @default.
- W2018615914 hasRelatedWork W2063845918 @default.
- W2018615914 hasRelatedWork W2084958362 @default.
- W2018615914 hasRelatedWork W2124452983 @default.
- W2018615914 hasRelatedWork W2151691986 @default.
- W2018615914 hasRelatedWork W267586616 @default.
- W2018615914 hasRelatedWork W2741696061 @default.
- W2018615914 hasRelatedWork W3025848850 @default.
- W2018615914 isParatext "false" @default.
- W2018615914 isRetracted "false" @default.
- W2018615914 magId "2018615914" @default.
- W2018615914 workType "article" @default.