Simulation of crystal structures by empirical atom-atom potentials. 1. The tetragonal-to-orthorhombic distortion in La/sub 2/CuO/sub 4/ and in the high-temperature superconductors La/sub 2-x/M/sub x/CuO/sub 4/ (M = Ba, Sr)
Abstract
A self-consistent, regioselective mechanism for the alkylnitrosurea (ANV) alkylation of DNA. The proposed mechanism is an attractive alternative to carbocation-like intermediates. Environmental mutagens and carcinogens may have similar mechanisms.
- Authors:
- Publication Date:
- Research Org.:
- North Carolina State Univ., Raleigh (USA)
- OSTI Identifier:
- 7076643
- DOE Contract Number:
- FG05-86ER45259; W-31-109-ENG-38
- Resource Type:
- Journal Article
- Journal Name:
- J. Am. Chem. Soc.; (United States)
- Additional Journal Information:
- Journal Volume: 109:25
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES; DNA; CHEMICAL REACTIONS; MUTAGENESIS; ONCOGENIC TRANSFORMATIONS; NITROSOUREAS; EXPERIMENTAL DATA; CELL TRANSFORMATIONS; DATA; INFORMATION; NITROSO COMPOUNDS; NUCLEIC ACIDS; NUMERICAL DATA; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; 400201* - Chemical & Physicochemical Properties; 550200 - Biochemistry
Citation Formats
Evain, M, Whangbo, M H, Beno, M A, Geiser, U, and Williams, J M. Simulation of crystal structures by empirical atom-atom potentials. 1. The tetragonal-to-orthorhombic distortion in La/sub 2/CuO/sub 4/ and in the high-temperature superconductors La/sub 2-x/M/sub x/CuO/sub 4/ (M = Ba, Sr). United States: N. p., 1987.
Web. doi:10.1021/ja00259a070.
Evain, M, Whangbo, M H, Beno, M A, Geiser, U, & Williams, J M. Simulation of crystal structures by empirical atom-atom potentials. 1. The tetragonal-to-orthorhombic distortion in La/sub 2/CuO/sub 4/ and in the high-temperature superconductors La/sub 2-x/M/sub x/CuO/sub 4/ (M = Ba, Sr). United States. https://doi.org/10.1021/ja00259a070
Evain, M, Whangbo, M H, Beno, M A, Geiser, U, and Williams, J M. 1987.
"Simulation of crystal structures by empirical atom-atom potentials. 1. The tetragonal-to-orthorhombic distortion in La/sub 2/CuO/sub 4/ and in the high-temperature superconductors La/sub 2-x/M/sub x/CuO/sub 4/ (M = Ba, Sr)". United States. https://doi.org/10.1021/ja00259a070.
@article{osti_7076643,
title = {Simulation of crystal structures by empirical atom-atom potentials. 1. The tetragonal-to-orthorhombic distortion in La/sub 2/CuO/sub 4/ and in the high-temperature superconductors La/sub 2-x/M/sub x/CuO/sub 4/ (M = Ba, Sr)},
author = {Evain, M and Whangbo, M H and Beno, M A and Geiser, U and Williams, J M},
abstractNote = {A self-consistent, regioselective mechanism for the alkylnitrosurea (ANV) alkylation of DNA. The proposed mechanism is an attractive alternative to carbocation-like intermediates. Environmental mutagens and carcinogens may have similar mechanisms.},
doi = {10.1021/ja00259a070},
url = {https://www.osti.gov/biblio/7076643},
journal = {J. Am. Chem. Soc.; (United States)},
number = ,
volume = 109:25,
place = {United States},
year = {Wed Dec 09 00:00:00 EST 1987},
month = {Wed Dec 09 00:00:00 EST 1987}
}
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