Detalles de la búsqueda
1.
Theoretical studies on the aqueous phase and graphene heterogeneous degradation of acrylamide and acrylonitrile by HO, ClO, and BrO radicals.
J Environ Manage
; 364: 121473, 2024 Jun 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-38878582
2.
Chlorination of Aromatic Amino Acids: Elucidating Disinfection Byproducts, Reaction Kinetics, and Influence Factors.
Molecules
; 29(8)2024 Apr 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-38675699
3.
Chloramine Disinfection of Levofloxacin and Sulfaphenazole: Unraveling Novel Disinfection Byproducts and Elucidating Formation Mechanisms for an Enhanced Understanding of Water Treatment.
Molecules
; 29(2)2024 Jan 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-38257310
4.
Prediction study on the distribution of polycyclic aromatic hydrocarbons and their halogenated derivatives in the atmospheric particulate phase.
Ecotoxicol Environ Saf
; 245: 114111, 2022 Oct 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36155337
5.
Predictive Models of Gas/Particulate Partition Coefficients (KP) for Polycyclic Aromatic Hydrocarbons and Their Oxygen/Nitrogen Derivatives.
Molecules
; 27(21)2022 Nov 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-36364435
6.
Computational Insight into Biotransformation Profiles of Organophosphorus Flame Retardants to Their Diester Metabolites by Cytochrome P450.
Molecules
; 27(9)2022 Apr 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35566150
7.
Binding and Metabolism of Brominated Flame Retardant ß-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane in Human Microsomal P450 Enzymes: Insights from Computational Studies.
Chem Res Toxicol
; 33(6): 1487-1496, 2020 06 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32243142
8.
Molecular Basis for Metabolic Regioselectivity and Mechanism of Cytochrome P450s toward Carcinogenic 4-(Methylnitrosamino)-(3-pyridyl)-1-butanone.
Chem Res Toxicol
; 33(2): 436-447, 2020 02 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-31889441
9.
In silico study for inhibiting thyroid hormone sulfotransferase activity by halogenated phenolic chemicals.
Ecotoxicol Environ Saf
; 180: 146-151, 2019 Sep 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-31082578
10.
Developing Predictive Models for Carrying Ability of Micro-Plastics towards Organic Pollutants.
Molecules
; 24(9)2019 May 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-31072022
11.
Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes.
Inorg Chem
; 57(18): 11738-11745, 2018 Sep 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-30156099
12.
Computational Insight into the Activation Mechanism of Carcinogenic N'-Nitrosonornicotine (NNN) Catalyzed by Cytochrome P450.
Environ Sci Technol
; 52(20): 11838-11847, 2018 10 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-30209943
13.
Development and evaluation of predictive model for bovine serum albumin-water partition coefficients of neutral organic chemicals.
Ecotoxicol Environ Saf
; 138: 92-97, 2017 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-28013161
14.
QM/MM studies on the calcium-assisted ß-elimination mechanism of pectate lyase from bacillus subtilis.
Proteins
; 84(11): 1606-1615, 2016 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-27447541
15.
Water promoting electron hole transport between tyrosine and cysteine in proteins via a special mechanism: double proton coupled electron transfer.
J Am Chem Soc
; 136(12): 4515-24, 2014 Mar 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-24601637
16.
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.
Environ Pollut
; 348: 123883, 2024 May 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38548154
17.
Homogeneous and air-water interface properties of nicotine relative to aqueous aerosol: Adsorption, oxidation, and the influence for the HNCO formation.
Sci Total Environ
; 891: 164503, 2023 Sep 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37257598
18.
Thyroid hormone activities of neutral and anionic hydroxylated polybrominated diphenyl ethers to thyroid receptor ß: A molecular dynamics study.
Chemosphere
; 311(Pt 1): 136920, 2023 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-36273606
19.
Cytotoxicity of nitrogenous disinfection byproducts: A combined experimental and computational study.
Sci Total Environ
; 856(Pt 2): 159273, 2023 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36209887
20.
Enantioselective metabolism of novel chiral insecticide Paichongding by human cytochrome P450 3A4: A computational insight.
Environ Pollut
; 333: 122088, 2023 Sep 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37348694