A5077823854- Free Radicals and Antioxidants
- Photochemistry and Electron Transfer Studies
- Synthesis and biological activity
- Computational Drug Discovery Methods
- Metal complexes synthesis and properties
- Phytochemicals and Antioxidant Activities
- Logic, Reasoning, and Knowledge
- Antioxidant Activity and Oxidative Stress
- Minerals Flotation and Separation Techniques
- Semantic Web and Ontologies
- Organic Chemistry Cycloaddition Reactions
- Bayesian Modeling and Causal Inference
- Synthesis and Characterization of Heterocyclic Compounds
- Mineral Processing and Grinding
- Advanced Algebra and Logic
- Graph theory and applications
- Synthesis and Properties of Aromatic Compounds
- Metal Extraction and Bioleaching
- Thermal and Kinetic Analysis
- Chemical Thermodynamics and Molecular Structure
- Spectroscopy and Quantum Chemical Studies
- Biochemical effects in animals
- Electron Spin Resonance Studies
- Inorganic and Organometallic Chemistry
- Multicomponent Synthesis of Heterocycles
University of Kragujevac
2016-2025
University of Belgrade
1995-2025
State University of Novi Pazar
2014-2024
Merseburg University of Applied Sciences
2023-2024
University of Osijek
2024
Mathematical Institute of the Serbian Academy of Sciences and Arts
2005-2020
Serbian Academy of Sciences and Arts
2009-2020
Zemun Hospital
2019
University Hospital Center Dr Dragiša Mišović
2019
Univerzitet u Novom Pazaru
2014-2018
Thiosemicarbazones and their transition metal complexes are biologically active compounds anticancer agents with versatile structural properties. In this contribution, the features stability of four pyridoxal-thiosemicarbazone (PLTSC) Fe, Co, Ni, Cu were investigated using density functional theory natural bond orbital approach. Special emphasis was placed on analysis donor atom−metal interactions. The geometry crystallographic structures further examined by Hirshfeld surface analysis, main...
Coumarin derivatives are a class of compounds with pronounced biological activities that depend primarily on the present substituents. Four 3-methoxycarbonylcoumarin substituents different electron-donating/electron-withdrawing abilities (Br, NO2, OH, and OMe) were investigated structurally by NMR, IR, UV-VIS spectroscopies density functional theory methods. The appropriate level (B3LYP-D3BJ/6-311++G(d,p) was selected after comparing similar compounds’ experimental theoretical structural...
A set of ten phenolic Schiff bases was evaluated for their antioxidative properties. Two them, one salicylaldehyde and vanillic, showed high activity. Parameters obtained by DFT supported the experimental findings.
Reactions of catecholamines with the DPPH radical, experimentally and theoretically investigated, proved that SPLET is dominant mechanism for antioxidant activity.
Compounds from the plant world that possess antioxidant abilities are of special importance for food and pharmaceutical industry. Coumarins a large, widely distributed group natural compounds, usually found in plants, often with good capacity. The coumarin-hydroxybenzohydrazide derivatives were synthesized using green, one-pot protocol. This procedure includes use an environmentally benign mixture (vinegar ethanol) as catalyst solvent, well very easy isolation desired products. obtained...
In this contribution, four new compounds synthesized from 4-hydroxycoumarin and tyramine/octopamine/norepinephrine/3-methoxytyramine are characterized spectroscopically (IR NMR), chromatographically (UHPLC-DAD), structurally at the B3LYP/6-311++G*(d,p) level of theory. The crystal structure 4-hydroxycoumarin-octopamine derivative was solved used as a starting geometry for structural optimization. Along with previously obtained 4-hydroxycoumarin-dopamine derivative, intramolecular...
Ruthenium(II)–arene complexes have gained significant research interest due to their possible application in cancer therapy. In this contribution two new are described, namely [{RuCl(η6-p-cymene)}2(μ-Cl)(μ-1-N,N′-naphthyl)]X (X = Cl, 1; PF6, 2), which were fully characterized by IR, NMR, and elemental microanalysis. Furthermore, the structure of 2 solid state was determined a single crystal X-ray crystallographic study, confirming composition crystals as 2·2MeOH. The Hirshfeld surface...
Lysergic acid diethylamide (LSD) and its analogs are commonly encountered substances at crime scenes due to their misuse as hallucinogenic compounds. Modern methods have led synthesizing different LSD with pronounced physiological effects. Theoretical can be a valuable tool for predicting the spectra stability of novel substances, especially when experimental data partially available. The current work describes application theoretical in IR, NMR, UV–VIS, MS based on optimized structure...
Antioxidative properties of naturally occurring flavon-3-ol, fisetin, were examined by both cyclic voltammetry and quantum-chemical based calculations. The three voltametrically detectable consecutive steps, reflected the fisetin molecular structure, catecholic structural unit in ring B, C3-OH, C7-OH groups rings C A. Oxidation potential values, used as quantitative parameter determining its oxidation capability, indicated good antioxidative found with this molecule. C3′C4′ dixydroxy moiety...
It has been generally accepted that, due to high ionization potential values, single electron transfer followed by proton (SET-PT) is not a plausible mechanism of antioxidant action in flavonoids. In this paper the SET-PT quercetin (Q) was examined revealing possible reaction paths once formed radical cation (Q+˙) at M0-52X/6311+G(d,p) level theory. The deprotonation Q+˙ simulated examining its chemical behavior presence three bases: methylamine (representative neutral bases), MeS anion...