Iskalni niz:
išči po
išči po
išči po
išči po
Vrsta gradiva:
Jezik:
Št. zadetkov: 4
QM-CSA: a novel quantum mechanics-based protocol for evaluation of the carcinogen-scavenging activity of polyphenolic compounds
Veronika Furlan, Jelena Tošović, Urban Bren
Izvirni znanstveni članek
Oznake: energija brez aktivacije;polifenoli;glutation;kvantna mehanika;hrana;zdravje;dieta;activation-free energies;chemical carcinogens;polyphenols;guanine;glutathione;quantum mechanical calculations; M11-L and MN12-L DFT functionals;
In this study, a novel quantum mechanics-based protocol for the evaluation of carcinogenscavenging activity (QM-CSA) is developed. The QM-CSA protocol represents a universal and quantitative approach to evaluate and compare the activation-free energies for alkylation reactions between individual pol ...
Leto: 2024 Vir: Fakulteta za kemijo in kemijsko tehnologijo (UM FKKT)
Conserved water networks identification for drug design using density clustering approaches on positional and orientational data
Jelena Tošović, Domagoj Fijan, Marko Jukič, Urban Bren
Izvirni znanstveni članek
Oznake: kemija grozdov;molekule;kisik;cluster chemistry;hydrogen;ligands;molecules;oxygen;
Conserved water networks identification for drug design using density clustering approaches on positional and orientational data
Leto: 2022 Vir: Fakulteta za kemijo in kemijsko tehnologijo (UM FKKT)
Exploring antioxidative properties of xanthohumol and isoxanthohumol
Jelena Tošović, Zala Kolenc, Gregor Hostnik, Urban Bren
Izvirni znanstveni članek
Oznake: antioksidanti;aktivnosti;antioxidative activity;bio-active membranes;xanthohumol;isoxanthohumol;ORAC and FRAP assays;pKa determination;density functional theory;DFT;
This study explores the antioxidative activities of xanthohumol (XN) and isoxanthohumol (IXN), prenylated flavonoids from Humulus lupulus (family Cannabaceae), utilizing the oxygen radical absorption capacity (ORAC) and ferric reducing antioxidant power (FRAP) assays along with computational Density ...
Leto: 2025 Vir: Fakulteta za kemijo in kemijsko tehnologijo (UM FKKT)
ǂThe ǂBray–Liebhafsky oscillatory reaction as a chemosensor for benzenediols
Aleksandra Pavičević, Marija Veles, Jelena P. Maksimović, Jelena Tošović, Urban Bren, Uroš Čakar, Maja C. Pagnacco
Izvirni znanstveni članek
Oznake: oscilatorji;Bray–Liebhafskijeva reakcija;kemijski senzorji;radikali;oscillatory reactions;Bray–Liebhafsky reaction;benzenediols;chemical sensors;radical scavenging;
Leto: 2024 Vir: Fakulteta za kemijo in kemijsko tehnologijo (UM FKKT)
Št. zadetkov: 4
Ključne besede:
Leto izdaje:
Avtorji:
Repozitorij:
Tipologija:
Jezik: