Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic activity

The isolation and identification of some toxic constituents ofAspergillus wentii wehmer.

Mycotoxin research·2013

On modeling biomolecular-surface nonbonded interactions: application to nucleobase adsorption on single-wall carbon nanotube surfaces.

Nanotechnology·2012

On understanding proton transfer to the biocatalytic [Fe-Fe](H) sub-cluster in [Fe-Fe]H(2)ases: QM/MM MD simulations.

Biochimica et biophysica acta·2011

Understanding effects of molecular adsorption at a single-wall boron nitride nanotube interface from density functional theory calculations.

Nanotechnology·2009

Biological degradation of aflatoxin B1 by Rhodococcus erythropolis cultures.

International journal of food microbiology·2006

Bacterial vaginosis diagnosed at the first antenatal visit better predicts preterm labour than diagnosis later in pregnancy.

Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology·2005

Identification and characterization of shared transcriptomic signatures in BRCA2-mutated metastatic breast cancer and lung adenocarcinoma: An integrative bioinformatics approach.

Mutation research·2026

Deuterium enhances mutation fixation in Escherichia coli through a transition-biased mechanism.

Mutation research·2026

Biochemical analysis of APOBEC3A-induced mutational signatures and clustered mutagenesis.

Mutation research·2026

A crosslinking positive control for any in vivo comet assay tissue.

Mutation research·2026

Molecular characterisation and mutational analysis of antimicrobial resistance genes in Helicobacter pylori isolates in Erbil, Iraq.

Mutation research·2026

In silico analysis of missense variants in functional domains of PWWP2A and PWWP2B proteins.

Mutation research·2026

A Comprehensive View on the Molecular Mechanism of the Diels-Alder Reaction Between 2,3-Dimethylbutadiene and E-2-Phenyl-1-Nitroethene: CDFT/ELF, 14C Kinetic Isotope Effects, Electron Density Transfers, Reaction Profiles and BET Analyses.

International journal of molecular sciences·2026

Reticulocalbin-2 (RCN2) as a Context-Dependent CREC-Family Modulator: Gene Expression and Regulation, Molecular Biology, Disease Relevance, and Translational Challenges.

Genes·2026

Nonequilibrium Formation of Pyridine (C5H5N) in Interstellar Ice Analogs: Implications for Biorelevant Nitrogen Heterocycles in Ryugu and Bennu.

Journal of the American Chemical Society·2026

A New Family of Nonempirical Range-Separated Functionals: RSX-r2SCAN, RSX-r2SCAN0, and RSX-r2SCAN-QIDH.

Journal of chemical theory and computation·2026

Nuclear-Electronic Orbital Coupled Cluster Theory with the Nuclear Hartree Product Representation for Multiple Quantum Nuclei and Application to Geometric Isotope Effects.

Journal of chemical theory and computation·2026

First-Principles Simulation of Ionizing Radiation Damage in Molecular Systems over Short Time Scales.

Journal of chemical theory and computation·2026

Related Experiment Videos

Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic

Related Concept Videos

The isolation and identification of some toxic constituents ofAspergillus wentii wehmer.

On modeling biomolecular-surface nonbonded interactions: application to nucleobase adsorption on single-wall carbon nanotube surfaces.

On understanding proton transfer to the biocatalytic [Fe-Fe](H) sub-cluster in [Fe-Fe]H(2)ases: QM/MM MD simulations.

Understanding effects of molecular adsorption at a single-wall boron nitride nanotube interface from density functional theory calculations.

Biological degradation of aflatoxin B1 by Rhodococcus erythropolis cultures.

Bacterial vaginosis diagnosed at the first antenatal visit better predicts preterm labour than diagnosis later in pregnancy.

Identification and characterization of shared transcriptomic signatures in BRCA2-mutated metastatic breast cancer and lung adenocarcinoma: An integrative bioinformatics approach.

Deuterium enhances mutation fixation in Escherichia coli through a transition-biased mechanism.

Biochemical analysis of APOBEC3A-induced mutational signatures and clustered mutagenesis.

A crosslinking positive control for any in vivo comet assay tissue.

Molecular characterisation and mutational analysis of antimicrobial resistance genes in Helicobacter pylori isolates in Erbil, Iraq.

In silico analysis of missense variants in functional domains of PWWP2A and PWWP2B proteins.

A Comprehensive View on the Molecular Mechanism of the Diels-Alder Reaction Between 2,3-Dimethylbutadiene and E-2-Phenyl-1-Nitroethene: CDFT/ELF, 14C Kinetic Isotope Effects, Electron Density Transfers, Reaction Profiles and BET Analyses.

Reticulocalbin-2 (RCN2) as a Context-Dependent CREC-Family Modulator: Gene Expression and Regulation, Molecular Biology, Disease Relevance, and Translational Challenges.

Nonequilibrium Formation of Pyridine (C5H5N) in Interstellar Ice Analogs: Implications for Biorelevant Nitrogen Heterocycles in Ryugu and Bennu.

A New Family of Nonempirical Range-Separated Functionals: RSX-r2SCAN, RSX-r2SCAN0, and RSX-r2SCAN-QIDH.

Nuclear-Electronic Orbital Coupled Cluster Theory with the Nuclear Hartree Product Representation for Multiple Quantum Nuclei and Application to Geometric Isotope Effects.

First-Principles Simulation of Ionizing Radiation Damage in Molecular Systems over Short Time Scales.

Related Experiment Videos

Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic...

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Related Concept Videos

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Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic