452 results on '"Armaković, Sanja J."'
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2. Spectroscopic characterization and investigation of reactive properties of 6-Chloro-N-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide by DFT calculations, with molecular docking and molecular dynamic study
3. Comparative analysis and validation of analytical techniques for quantification active component in pharmaceuticals: Green approach
4. Biginelli dihydropyrimidines carrying azole rings: Synthesis, computational studies, and evaluation of alpha‐glucosidase inhibitory and antimicrobial activities
5. Investigating interactions between derivatives of graphene nanosheets and articaine for prolonged dental anesthetic effects: A multiscale modeling study
6. Photocatalytic application of bacterial-derived biopolymer in removing pharmaceutical contaminants from water
7. Exploring the influence of structural characteristics on the stability of bioregulators in natural environmental conditions
8. Experimental and theoretical insights into the photoinduced degradation of nadolol in the Danube River through catalytic oxidation with radical species
9. Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor
10. Indole moiety induced biological potency in pseudo- peptides derived from 2-amino-2-(1H-indole-2-yl) based acetamides: synthesis, structure and computational investigations
11. Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents
12. Understanding interactions between graphene and local anesthetic molecules applied in dentistry – Towards the prolonged effects of local anesthesia
13. Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid
14. Linking azoles to isoniazid via hydrazone bridge: Synthesis, crystal structure determination, antitubercular evaluation and computational studies
15. Effect of Plasma Treatment on Self-Cleaning Features of Acrylic Paint/TiO 2 -Coated Surfaces for Environmental Pollutant Removal.
16. Cu-TiO 2 /Zeolite/PMMA Tablets for Efficient Dye Removal: A Study of Photocatalytic Water Purification.
17. The role of environmental waters ionic composition and UV–LED radiation on photodegradation, mineralization and toxicity of commonly used β-blockers
18. Sumanene as a delivery system for 5-fluorouracil drug – DFT, SAPT and MD study
19. Reactivity properties and adsorption behavior of a triazole derivative – DFT and MD simulation studies
20. Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations
21. Experimental and computational study of hydrolysis and photolysis of antibiotic ceftriaxone: Degradation kinetics, pathways, and toxicity
22. Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties
23. Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations
24. Crystal structure determination and computational studies of 1,4-dihydropyridine derivatives as selective T-type calcium channel blockers
25. Optoelectronic properties of the newly designed 1,3,5-triazine derivatives with isatin, chalcone and acridone moieties
26. Spray-Deposited TiO 2 Layers on Aluminum Foil for Sustainable Water Remediation.
27. Indole moiety induced biological potency in pseudo-peptides derived from 2-amino-2-(1H-indole-2-yl) based acetamides: Chemical synthesis, in vitro anticancer activity and theoretical studies
28. Kinetics, mechanism and toxicity of intermediates of solar light induced photocatalytic degradation of pindolol: Experimental and computational modeling approach
29. Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea
30. Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron
31. Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
32. A DFT and MD study of reactive, H2 adsorption and optoelectronic properties of graphane nanoparticles – An influence of boron doping
33. Online and desktop graphical user interfaces for xtb programme from atomistica.online platform
34. Multifaceted Study of a Y-Shaped Pyrimidine Compound: Assessing Structural Properties, Docking Interactions, and Third-Order Nonlinear Optics
35. Biginelli dihydropyrimidines carrying azole rings: Synthesis, computational studies, and evaluation of alpha‐glucosidase inhibitory and antimicrobial activities
36. Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools
37. Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study
38. Efficiency of La-doped TiO2 calcined at different temperatures in photocatalytic degradation of β-blockers
39. Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach
40. Molecular structure, optoelectronic properties, spectroscopic (FT-IR, FT-Raman and UV–Vis), H-BDE, NBO and drug likeness investigations on 7, 8-benzocoumarin-4-acetic acid (7BAA)
41. An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4,6-dichloro-2-(methylsulfonyl)pyrimidine: A potential third-order nonlinear optical material
42. Design, synthesis and computational analysis of novel acridine-(sulfadiazine/sulfathiazole) hybrids as antibacterial agents
43. Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential
44. Photophysical properties and theoretical investigations of newly synthesized pyrene-naphthalene based Schiff base ligand and its copper(II) complexes
45. Structural, spectroscopic characterization of 2-(5-methyl-1-benzofuran-3-yl) acetic acid in monomer, dimer and identification of specific reactive, drug likeness properties: Experimental and computational study
46. Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings
47. Self-Cleaning and Charge Transport Properties of Foils Coated with Acrylic Paint Containing TiO2 Nanoparticles
48. Metal free synthesis of thermally stable blue fluorescent m-terphenyls by ring transformation of 2H-pyran-2-ones: chemical synthesis, spectroscopy and computational studies
49. Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations
50. Photocatalytic Application of Polymers in Removing Pharmaceuticals from Water: A Comprehensive Review.
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