The product distribution of DNA base alkylation by N-nitroso compounds: an INDO SCF MO theoretical study

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29890002127 ◽

1989 ◽

pp. 2127 ◽

Cited By ~ 3

Author(s):

Richard H. Duncan ◽

Gerard S. Davies

Keyword(s):

Theoretical Study ◽

Product Distribution ◽

Nitroso Compounds ◽

Dna Base

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The mechanism and regioselectivity of the ene reactions of nitroso compounds: a theoretical study of reactivity, regioselectivity, and kinetic isotope effects establishes a stepwise path involving polarized diradical intermediates

Organic & Biomolecular Chemistry ◽

10.1039/b300285c ◽

2003 ◽

Vol 1 (8) ◽

pp. 1389-1403 ◽

Cited By ~ 33

Author(s):

Andrew G. Leach ◽

K. N. Houk

Keyword(s):

Theoretical Study ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Nitroso Compounds ◽

Ene Reactions ◽

Kinetic Isotope

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How the Intercalation of Phenanthroline Affects the Structure, Energetics, and Bond Properties of DNA Base Pairs: Theoretical Study Applied to Adenine–Thymine and Guanine–Cytosine Tetramers

Journal of Chemical Theory and Computation ◽

10.1021/ct5006104 ◽

2015 ◽

Vol 11 (6) ◽

pp. 2714-2728 ◽

Cited By ~ 17

Author(s):

Adrià Gil ◽

Manuel Melle-Franco ◽

Vicenç Branchadell ◽

Maria José Calhorda

Keyword(s):

Theoretical Study ◽

Bond Properties ◽

Base Pairs ◽

Dna Base ◽

Dna Base Pairs ◽

Adenine Thymine

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Theoretical Study on the Site and Regularity of Chiral Ru(II) Polypyridyl Complexes Binding to Mismatched DNA-Base-Pair

Asian Journal of Chemistry ◽

10.14233/ajchem.2013.13839 ◽

2013 ◽

Vol 25 (7) ◽

pp. 3902-3908

Author(s):

Si Yan Liao ◽

Hai Liang Lu ◽

Ti Fang Miao ◽

Kang Cheng Zheng

Keyword(s):

Base Pair ◽

Theoretical Study ◽

Polypyridyl Complexes ◽

Mismatched Dna ◽

Dna Base ◽

Dna Base Pair

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Valproic acid metabolism by cytochrome P450: a theoretical study of stereoelectronic modulators of product distribution

Journal of the American Chemical Society ◽

10.1021/ja00007a057 ◽

1991 ◽

Vol 113 (7) ◽

pp. 2736-2743 ◽

Cited By ~ 39

Author(s):

Jack R. Collins ◽

Debra L. Camper ◽

Gilda H. Loew

Keyword(s):

Valproic Acid ◽

Cytochrome P450 ◽

Acid Metabolism ◽

Theoretical Study ◽

Product Distribution

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Theoretical study of electric current in DNA base molecules trapped between nanogap electrodes

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.08.039 ◽

2012 ◽

Vol 999 ◽

pp. 203-214 ◽

Cited By ~ 2

Author(s):

Kentaro Doi ◽

Yuki Nishioka ◽

Satoyuki Kawano

Keyword(s):

Electric Current ◽

Theoretical Study ◽

Dna Base ◽

Nanogap Electrodes

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Theoretical study of fragmentation pathways and product distribution of deprotonated aspartic acid

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.11.006 ◽

2017 ◽

Vol 1099 ◽

pp. 1-7 ◽

Cited By ~ 1

Author(s):

Zu-xu Chen ◽

Hua Zhong ◽

Hai-tao Yu

Keyword(s):

Aspartic Acid ◽

Theoretical Study ◽

Product Distribution ◽

Fragmentation Pathways

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A Theoretical Study of the Mechanisms and Regiochemistry of the Reactions of 5-Alkoxyoxazole with Thioaldehydes, Nitroso Compounds, and Aldehydes

The Journal of Organic Chemistry ◽

10.1021/jo026330e ◽

2003 ◽

Vol 68 (2) ◽

pp. 412-420 ◽

Cited By ~ 7

Author(s):

Zhi-Xiang Yu ◽

Yun-Dong Wu

Keyword(s):

Theoretical Study ◽

Nitroso Compounds

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Alkyldinitrogen species implicated in the carcinogenic, mutagenic, and anticancer activities of N-nitroso compounds: characterization by nitrogen-15 NMR of nitrogen-15-enriched compounds and analysis of DNA base situselectivity by ab initio calculations

Journal of the American Chemical Society ◽

10.1021/ja00333a051 ◽

1984 ◽

Vol 106 (21) ◽

pp. 6401-6408 ◽

Cited By ~ 24

Author(s):

J. William Lown ◽

Shive M. S. Chauhan ◽

R. Rao Koganty ◽

Anne Marie Sapse

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nitroso Compounds ◽

Anticancer Activities ◽

Dna Base

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Ionization-Induced Proton Transfer in Model DNA Base Pairs: A Theoretical Study of the Radical Ions of the 7-Azaindole Dimer

ChemPhysChem ◽

10.1002/cphc.200400187 ◽

2004 ◽

Vol 5 (12) ◽

pp. 1855-1863 ◽

Cited By ~ 19

Author(s):

Hsing-Yin Chen ◽

Ito Chao

Keyword(s):

Proton Transfer ◽

Theoretical Study ◽

Radical Ions ◽

Base Pairs ◽

Dna Base ◽

Dna Base Pairs

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Theoretical Study of the Structure and Bonding of a Metal−DNA Base Complex: Al−Guanine

The Journal of Physical Chemistry A ◽

10.1021/jp030651s ◽

2003 ◽

Vol 107 (44) ◽

pp. 9415-9421 ◽

Cited By ~ 21

Author(s):

Anastassiia Moussatova ◽

Marco-Vinicio Vázquez ◽

Ana Martínez ◽

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

...

Keyword(s):

Theoretical Study ◽

Base Complex ◽

Dna Base ◽

Structure And Bonding

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