Guangcai Ma

发表

Developing predictive models for toxicity of organic chemicals to green algae based on mode of action.

Serge Bakire, Xinya Yang, Guangcai Ma, 2018, Chemosphere.

In silico study for inhibiting thyroid hormone sulfotransferase activity by halogenated phenolic chemicals.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2019, Ecotoxicology and environmental safety.

Computational Insight into Biotransformation Profiles of Organophosphorus Flame Retardants to Their Diester Metabolites by Cytochrome P450

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2022, Molecules.

Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic compounds

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2020, Frontiers of Environmental Science & Engineering.

Theoretical study of the hydrolysis mechanism of dihydrocoumarin catalyzed by serum paraoxonase 1 (PON1): different roles of Glu53 and His115 for catalysis

Guangcai Ma, Q. Hou, Yongjun Liu, 2016 .

Thermal evaporated CuI film thickness-dependent performance of perovskite solar cells

Guangcai Ma, Bingqiang Cao, Jinbiao Jia, 2021 .

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

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2018, Environmental science & technology.

Mechanistic insights into alginate fouling caused by calcium ions based on terahertz time-domain spectra analyses and DFT calculations.

Guangcai Ma, Haiying Yu, Jianrong Chen, 2018, Water research.

Prediction study on the distribution of polycyclic aromatic hydrocarbons and their halogenated derivatives in the atmospheric particulate phase.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2022, Ecotoxicology and environmental safety.

Thyroid hormone activities of neutral and anionic hydroxylated polybrominated diphenyl ethers to thyroid receptor β: A molecular dynamics study.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2022, Chemosphere.

Predictive Models of Gas/Particulate Partition Coefficients (KP) for Polycyclic Aromatic Hydrocarbons and Their Oxygen/Nitrogen Derivatives

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2022, Molecules.

Cytotoxicity of nitrogenous disinfection byproducts: A combined experimental and computational study.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2022, The Science of the total environment.

Water promoting electron hole transport between tyrosine and cysteine in proteins via a special mechanism: double proton coupled electron transfer.

Yuxiang Bu, Xin Qin, Weichao Sun, 2014, Journal of the American Chemical Society.

The reaction mechanism of UDP-GlcNAc 5,6-dehydratase: a quantum mechanical/molecular mechanical (QM/MM) study

Guangcai Ma, Yongjun Liu, 2014, Theoretical Chemistry Accounts.

Effects of surface morphology on alginate adhesion: Molecular insights into membrane fouling based on XDLVO and DFT analysis.

Guangcai Ma, Hongjun Lin, Yang Lou, 2019, Chemosphere.

A density functional theory study on the catalytic mechanism of hydroxycinnamoyl‐CoA hydratase‐lyase

Guangcai Ma, Yongjun Liu, Lixin Wei, 2014 .

Precursors for brominated haloacetic acids during chlorination and a new useful indicator for bromine substitution factor.

Guangcai Ma, Jianrong Chen, Hongjun Lin, 2020, The Science of the total environment.

Mechanistic Insights into the Decoupled Desaturation and Epoxidation Catalyzed by Dioxygenase AsqJ Involved in the Biosynthesis of Quinolone Alkaloids

Wenyou Zhu, Xiang Sheng, Yongjun Liu, 2017 .

In silico investigation of gas/particle partitioning equilibrium of polybrominated diphenyl ethers (PBDEs).

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2017, Chemosphere.

Effect of grain boundary precipitates on the stress rupture properties of K4750 alloy after long-term aging at 750°C for 8000 h

Guangcai Ma, Kui Liu, Kunlei Hou, 2021 .

Exploring the substrate-assisted acetylation mechanism by UDP-linked sugar N-acetyltransferase from QM/MM calculations: the role of residue Asn84 and the effects of starting geometries

Guangcai Ma, Yongjun Liu, Hao Su, 2015 .

Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes.

Guangcai Ma, Yongjun Liu, Hao Su, 2018, Inorganic chemistry.

Investigating the molecular mechanism of hydroxylated bromdiphenyl ethers to inhibit the thyroid hormone sulfotransferase SULT1A1.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2021, Chemosphere.

Molecular Basis for Metabolic Regioselectivity and Mechanism of Cytochrome P450s toward Carcinogenic 4-(Methylnitrosamino)-(3-pyridyl)-1-butanone (NNK).

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2019, Chemical research in toxicology.

Developing Predictive Models for Carrying Ability of Micro-Plastics towards Organic Pollutants

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2019, Molecules.

Developing QSPR model of gas/particle partition coefficients of neutral poly-/perfluoroalkyl substances

Guangcai Ma, Haiying Yu, Jianrong Chen, 2016 .

Mechanism of the Glutathione Persulfide Oxidation Process Catalyzed by Ethylmalonic Encephalopathy Protein 1

Guangcai Ma, Yongjun Liu, Beibei Lin, 2016 .

Membrane fouling by alginate in polyaluminum chloride (PACl) coagulation/microfiltration process: Molecular insights

Guangcai Ma, Hongjun Lin, H. Hong, 2020 .

Insights into the catalytic mechanism of dTDP-glucose 4,6-dehydratase from quantum mechanics/molecular mechanics simulations

Guangcai Ma, Yongjun Liu, Lihua Dong, 2014 .

Development and evaluation of predictive model for bovine serum albumin-water partition coefficients of neutral organic chemicals.

Guangcai Ma, Haiying Yu, Jianrong Chen, 2017, Ecotoxicology and environmental safety.

Uncoupled Epimerization and Desaturation by Carbapenem Synthase: Mechanistic Insights from QM/MM Studies

Wenyou Zhu, Yongjun Liu, Guangcai Ma, 2015 .

QM/MM studies on the calcium‐assisted β‐elimination mechanism of pectate lyase from bacillus subtilis

Guangcai Ma, Yongjun Liu, Wenyou Zhu, 2016, Proteins.

Computational insight into biotransformation of halophenols by cytochrome P450: Mechanism and reactivity for epoxidation.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2021, Chemosphere.

Binding and Metabolism of Brominated Flame Retardant β-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane in Human Microsomal P450 Enzymes: Insights from Computational Studies.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2020, Chemical research in toxicology.

Enantioselective metabolism of novel chiral insecticide Paichongding by human cytochrome P450 3A4: A computational insight.

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2023, Environmental pollution.

QSPR models for predicting the adsorption capacity for microplastics of polyethylene, polypropylene and polystyrene

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2020, Scientific Reports.

Effects of acrylamide on indoor air based on the reactions with O3 and •OH: Mechanism, kinetics, and toxicity evaluation

Guangcai Ma, Xiaoxuan Wei, Xueyu Wang, 2024, Journal of Environmental Chemical Engineering.

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

Guangcai Ma, Xiaoxuan Wei, Haiying Yu, 2018, Environmental science & technology.

Computational simulations uncover enantioselective metabolism of chiral triazole fungicides by human CYP450 enzymes: A case study of tebuconazole.

Guangcai Ma, Jing Zhang, Xueyu Wang, 2024, Ecotoxicology and environmental safety.

Mechanistic insight into biotransformation of novel triazine-based flame retardant 1,3,5-Tris(2,3-Dibromopropyl)-1,3,5-triazinane-2,4,6-trione by human cytochrome P450s.

Guangcai Ma, Xiaoxuan Wei, Kan Ma, 2024, Environmental pollution.

Theoretical studies on the aqueous phase and graphene heterogeneous degradation of acrylamide and acrylonitrile by HO, ClO, and BrO radicals.

Guangcai Ma, Xueyu Wang, Sisi Cheng, 2024, Journal of environmental management.

Chlorination of Aromatic Amino Acids: Elucidating Disinfection Byproducts, Reaction Kinetics, and Influence Factors

Guangcai Ma, Xiaoxuan Wei, Zhenyi Chen, 2024, Molecules.

Molecular Interactions Governing the Rat Aryl Hydrocarbon Receptor Activities of Polycyclic Aromatic Compounds and Predictive Model Development

Guangcai Ma, Lingmin Jin, Haiying Yu, 2024, Molecules.