TY  - JOUR
AU  - Gorbunova, Tatyana I.
AU  - Kozhevnikova, Natalia S.
AU  - Enyashin, Andrey N.
TI  - The lifetime of polychlorophenyl radicals in methanol: a SCC-DFTB molecular dynamics study
JF  - MENDELEEV COMMUNICATIONS
J2  - MENDELEEV COMMUN
VL  - 33
PY  - 2023
IS  - 5
SP  - 661
EP  - 665
PG  - 5
SN  - 0959-9436
DO  - 10.1016/j.mencom.2023.09.023
UR  - https://m2.mtmt.hu/api/publication/34312623
ID  - 34312623
AB  - The state of molecules of mono-, di-, and trichlorobenzenes in the gas phase and methanol solution is explored using quantum chemical molecular dynamics simulations. It is proved that saturation of chloroaryl radicals in methanol is realized using a hydrogen atom from the methyl group of solvents rather than from the hydroxyl group in most cases. No evident correlation was established between the lifetimes and other properties of radicals or their parent molecules, pointing to the importance of a solvate shell as a factor controlling the migration and diffusion of H atoms during the saturation of chloroaryl radicals.
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Sepp, Krisztián
AU  - Molnár, Zsolt
AU  - László, Anna
AU  - Alapi, Tünde
AU  - Tóth, László
AU  - Serester, Andrea
AU  - Valkusz, Zsuzsanna
AU  - Gálfi, Márta
AU  - Radács, Marianna
TI  - Study of the Potential Endocrine-Disrupting Effects of Phenylurea Compounds on Neurohypophysis Cells In Vitro
JF  - INTERNATIONAL JOURNAL OF ENDOCRINOLOGY
J2  - INT J ENDOCRINOL
VL  - 2019
PY  - 2019
PG  - 9
SN  - 1687-8337
DO  - 10.1155/2019/1546131
UR  - https://m2.mtmt.hu/api/publication/30430535
ID  - 30430535
N1  - First Department of Internal Medicine, Faculty of Medicine, University of Szeged, Szeged, Hungary            
            Institute of Applied Science, Department of Environmental Biology and Education, Gyula Juhász Faculty of Education, University of Szeged, Szeged, Hungary            
            Department of Biometrics and Agricultural Informatics, Faculty of Horticultural Science, Szent István University, Budapest, Hungary            
            Department of Inorganic and Analytical Chemistry, Faculty of Science and Informatics, University of Szeged, Szeged, Hungary            
            Cited By :1            
            Export Date: 24 May 2022            
            Correspondence Address: Sepp, K.; First Department of Internal Medicine, Hungary; email: sepp.krisztian@med.u-szeged.hu            
            Chemicals/CAS: argipressin, 113-79-1; collagenase, 37288-86-1, 39433-96-0; diuron, 330-54-1; dopamine, 51-61-6, 62-31-7; epinephrine, 51-43-4, 55-31-2, 6912-68-1; histamine, 51-45-6, 56-92-8, 93443-21-1; monuron, 150-68-5; noradrenalin, 1407-84-7, 51-41-2; oxytocin, 50-56-6, 54577-94-5; phenacemide, 63-98-9; serotonin, 50-67-9; trypsin, 9002-07-7
LA  - English
DB  - MTMT
ER  -