Predicting DNA-Reactivity of N-Nitrosamines: A Quantum Chemical Approach

Salmonella typhimurium TA100 and TA1535 and E. coli WP2 uvrA are highly sensitive to detect the mutagenicity of short Alkyl-N-Nitrosamines in the Bacterial Reverse Mutation Test

(2022) Frank Bringezu et al.   Toxicology Reports

Practical and Science-Based Strategy for Establishing Acceptable Intakes for Drug Product N-Nitrosamine Impurities

(2022) Krista L. Dobo et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Metabolic Activation and DNA Interactions of Carcinogenic N-Nitrosamines to Which Humans Are Commonly Exposed

(2022) Yupeng Li et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Estimated Cancer Risks Associated with Nitrosamine Contamination in Commonly Used Medications

(2021) Kate Li et al.   International Journal of Environmental Research and Public Health

Developing Structure-Activity Relationships for N-Nitrosamine Activity

(2021) Kevin P. Cross et al.   Computational Toxicology

Are all nitrosamines concerning? A review of mutagenicity and carcinogenicity data

(2020) Andrew Thresher et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Short commentary on NDMA (N-nitrosodimethylamine) contamination of valsartan products

(2019) David J. Snodin et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Literature compilation of volatile N-nitrosamines in processed meat and poultry products - an update

(2019) Hyoung S. Lee   Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment

Computational Insight into the Activation Mechanism of Carcinogenic N’-Nitrosonornicotine (NNN) Catalyzed by Cytochrome P450

(2018) Guangcai Ma et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

Stabilization of carbocations CH3+, C2H5+, i-C3H7+, tert-Bu+, and cyclo-pentyl+ in solid phases: experimental data versus calculations

(2017) Evgenii S. Stoyanov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular Mechanism of NDMA Formation from N,N-Dimethylsulfamide During Ozonation: Quantum Chemical Insights into a Bromide-Catalyzed Pathway

(2015) Daniela Trogolo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

A DFT study of reactions of methyldiazonium ion with DNA/RNA nucleosides: Investigating effect of sugar moiety on methylation pattern of bases

(2014) Kanika Bhattacharjee et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Oxidation of Methyl and Ethyl Nitrosamines by Cytochrome P450 2E1 and 2B1

(2012) Goutam Chowdhury et al.   BIOCHEMISTRY

Computational Evidence for α-Nitrosamino Radical as Initial Metabolite for Both the P450 Dealkylation and Denitrosation of Carcinogenic Nitrosamines

(2011) Li Ji et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Temozolomide: Mechanisms of Action, Repair and Resistance

(2011) Jihong Zhang et al.   Current Molecular Pharmacology

Oxidation of Tertiary Amines by Cytochrome P450-Kinetic Isotope Effect as a Spin-State Reactivity Probe

(2009) Chunsen Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Steric effect in alkylation reactions byN-alkyl-N-nitrosoureas: a kinetic approach

(2008) J. A. Manso et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY