Complexes of Co(III), Ni(II) and Cu(II) with hydrazones of some 2-pyridyl-ke-tones

U disertaciji su opisane sinteze i fizičko-hemijske karakterizacije 32 kompleksa kobalta(III), nikla(II) i bakra(II) sa ligandima S-metilizotiosemikarbazonom 2-acetilpiridina (HL¹), bis(S-metilizotiosemikarbazonom) 2,6-diacetilpiridina (H₂L²), tiosemikarbazonom-S-metilizotiosemikarbazonom 2,6-diacetilpiridina (HL³), 1-adamantoilhidrazonom 2-acetilpiridina (HL⁴) i 1-adamantoilhidrazonom di(2-piridil)-ketona (HL⁵). Kako ligandi HL³, HL⁴ i HL⁵ do sada nisu bili sintetisani, dobijeni rezultati ujedno predstavljaju i prve iz njihove koordinacione hemije. Iako je sa S-metilizotiosemikarbazonom 2-acetilpiridina poznato nekoliko kompleksa, do sada nijedan od njih nije strukturno okarakterisan, tako da su rezultati prikazani u ovoj disertaciji dali jasnu sliku o načinima koordinacije HL¹. Takođe, kako je sa H₂L² poznat vrlo malo broj kompleksa, dobijeni rezultati su dali značajan doprinos razumevanju koordinacione hemije ovog liganda. Gotovo svi sintetisani kompleksi (njih 27 od 32) su strukturno okarakterisani metodom rendgenske kristalografije. Odabrana jedinjenja su ispitana metodama termičke analize, a utvrđena je njihova antimikrobna i citotoksična aktivnost.  This thesis describes syntheses and physico-chemical characterizations of 32 complexes of cobalt(III), nickel(II) and copper(II), with ligands 2-acetylpyridine S-methylisothiosemicarbazone (HL¹), 2,6-dicetylpyridine bis(S-methylisothiosemicarbazone) (H₂L²), thiosemicarbazone-S-methylisothiosemicarbazone 2,6-dicetylpyridine (HL³), 2-acetylpyridine 1-adamantoylhydrazone (HL⁴), and di(2-pyridil)-ketone 1-adamantoylhydrazone (HL⁵). Since the ligands HL³, HL⁴, and HL⁵ were not synthetized hitherto, the obtained results are the first regarding their coordination chemistry as well. Even though there are several complexes reported with 2-acetylpyridine S-methylisothiosemicarbazone as a ligand, none of them was structurally characterized. Therefore, here presented results gave clear insight into coordination modes of the HL¹. Moreover, since there is limited number of complexes with H₂L² reported hitherto, the obtained results gave significant contribution to understanding of its coordination chemistry. Almost each synthetized complex (27 out of 32) was structurally characterized by means of single crystal X-ray crystallography. The selected compounds were characterized by thermal analysis, and their antimicrobial and cytotoxic activity were determined

Complexes of Co(III), Ni(II) and Cu(II) with hydrazones of some 2-pyridyl-ke-tones

U disertaciji su opisane sinteze i fizičko-hemijske karakterizacije 32 kompleksa kobalta(III), nikla(II) i bakra(II) sa ligandima S-metilizotiosemikarbazonom 2-acetilpiridina (HL¹), bis(S-metilizotiosemikarbazonom) 2,6-diacetilpiridina (H₂L²), tiosemikarbazonom-S-metilizotiosemikarbazonom 2,6-diacetilpiridina (HL³), 1-adamantoilhidrazonom 2-acetilpiridina (HL⁴) i 1-adamantoilhidrazonom di(2-piridil)-ketona (HL⁵). Kako ligandi HL³, HL⁴ i HL⁵ do sada nisu bili sintetisani, dobijeni rezultati ujedno predstavljaju i prve iz njihove koordinacione hemije. Iako je sa S-metilizotiosemikarbazonom 2-acetilpiridina poznato nekoliko kompleksa, do sada nijedan od njih nije strukturno okarakterisan, tako da su rezultati prikazani u ovoj disertaciji dali jasnu sliku o načinima koordinacije HL¹. Takođe, kako je sa H₂L² poznat vrlo malo broj kompleksa, dobijeni rezultati su dali značajan doprinos razumevanju koordinacione hemije ovog liganda. Gotovo svi sintetisani kompleksi (njih 27 od 32) su strukturno okarakterisani metodom rendgenske kristalografije. Odabrana jedinjenja su ispitana metodama termičke analize, a utvrđena je njihova antimikrobna i citotoksična aktivnost.  This thesis describes syntheses and physico-chemical characterizations of 32 complexes of cobalt(III), nickel(II) and copper(II), with ligands 2-acetylpyridine S-methylisothiosemicarbazone (HL¹), 2,6-dicetylpyridine bis(S-methylisothiosemicarbazone) (H₂L²), thiosemicarbazone-S-methylisothiosemicarbazone 2,6-dicetylpyridine (HL³), 2-acetylpyridine 1-adamantoylhydrazone (HL⁴), and di(2-pyridil)-ketone 1-adamantoylhydrazone (HL⁵). Since the ligands HL³, HL⁴, and HL⁵ were not synthetized hitherto, the obtained results are the first regarding their coordination chemistry as well. Even though there are several complexes reported with 2-acetylpyridine S-methylisothiosemicarbazone as a ligand, none of them was structurally characterized. Therefore, here presented results gave clear insight into coordination modes of the HL¹. Moreover, since there is limited number of complexes with H₂L² reported hitherto, the obtained results gave significant contribution to understanding of its coordination chemistry. Almost each synthetized complex (27 out of 32) was structurally characterized by means of single crystal X-ray crystallography. The selected compounds were characterized by thermal analysis, and their antimicrobial and cytotoxic activity were determined

Kartiranje rizika od poplava

The paper considers the methodology for the mapping flood zones, flood damages and flood risk. The emphasis is on the development of synthetic flood damage functions, used for the determination of the expected annual damages, as the principal parameters for quantification of the flood risk. The methodology is illustrated by two practical examples.U ovom članku se razmatra metodologija kartiranja plavnih područja, šteta i rizika. Težište je na načinu određivanja sintetičkih funkcija potencijalne štete, koje se korite za definisanje očekivane godišnje štete, kao glavnog parametra za kvantifikovanje rizika od poplava. Metodologija je ilustrovana primerima iz naše prakse

Supplementary data for the article: Perić, M.; Kyne, S. H.; Gruden, M.; Rodić, M.; Jeremić, D.; Stanković, D. M.; Brčeski, I. Synthesis, Structural and DFT Analysis of a Binuclear Nickel(II) Complex with the 1,4-Bis[2-[2-(Diphenylphosphino)Benzylidene]]Phthalazinylhydrazone Ligand. Monatshefte fur Chemie 2019, 150 (7), 1241–1248. https://doi.org/10.1007/s00706-019-02405-7

Supplementary material for: [10.1007/s00706-019-02405-7]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/3316

Kartiranje rizika od poplava

The paper considers the methodology for the mapping flood zones, flood damages and flood risk. The emphasis is on the development of synthetic flood damage functions, used for the determination of the expected annual damages, as the principal parameters for quantification of the flood risk. The methodology is illustrated by two practical examples.U ovom članku se razmatra metodologija kartiranja plavnih područja, šteta i rizika. Težište je na načinu određivanja sintetičkih funkcija potencijalne štete, koje se korite za definisanje očekivane godišnje štete, kao glavnog parametra za kvantifikovanje rizika od poplava. Metodologija je ilustrovana primerima iz naše prakse

Supplementary data for the article: Perić, M.; Kyne, S. H.; Gruden, M.; Rodić, M.; Jeremić, D.; Stanković, D. M.; Brčeski, I. Synthesis, Structural and DFT Analysis of a Binuclear Nickel(II) Complex with the 1,4-Bis[2-[2-(Diphenylphosphino)Benzylidene]]Phthalazinylhydrazone Ligand. Monatshefte fur Chemie 2019, 150 (7), 1241–1248. https://doi.org/10.1007/s00706-019-02405-7

Supplementary material for: [10.1007/s00706-019-02405-7]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/3316

Beyond the Global Health Security Index: A Machine Learning Approach to Analyzing the Official COVID-19 Deaths and Excess Deaths Data

The Global Health Security Index (GHSI) is designed to assess the preparedness of countries to deal with infectious disease outbreaks. However, the COVID-19 pandemic has revealed a paradoxical relationship between the GHSI and the COVID-19 mortality, with higher GHSI scores being associated with higher death rates. We aimed to explain this puzzle. To rely on an accurate and robust measure of COVID-19 severity across countries, we used our model-derived measure instead of the standard Case Fatality Rate. We employed a range of statistical learning techniques, including non-parametric machine learning methods, to identify the factors that influence COVID-19 severity in 85 countries. Also, we searched for the predictors of the largely unexplored excess mortality counts. Our results suggest that the association of higher preparedness, measured by the GHSI, with higher COVID-19 mortality may be an artifact of oversimplified statistical analyses used in published studies. In addition, it could be a consequence of misclassified COVID‑19 deaths, combined with the higher median age of the population and earlier epidemics onset in countries with high GHSI scores.Book of abstract: 4th Belgrade Bioinformatics Conference, June 19-23, 202

Supplementary material for the article: Živković, M. B.; Matić, I. Z.; Rodić, M. V.; Novaković, I. T.; Sladić, D. M.; Krstić, N. M. Synthesis, Characterization and in Vitro Cytotoxic Activities of New Steroidal Thiosemicarbazones and Thiadiazolines. RSC Advances 2016, 6 (41), 34312–34333. https://doi.org/10.1039/c6ra01516f

Supplementary material for: [https://doi.org/10.1039/c6ra01516f]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1913

Synthesis, characterization and antimicrobial activity of Cu(II) complex with condensation derivative of 2-acetylpyridine and malonic acid dihydrazide

Kompleks Cu(II) sa kondenzacionim derivatom 2-acetilpiridina i dihidrazida malonske kiseline (H2L) je dobijen direktnom sintezom. Prekristalizacijom je dobijen monokristalni proizvod te je struktura kompleksa rešena primenom rendgenske strukturne analize. U unutrašnjoj sferi binuklearnog simetrinog kompleksa, sa distorgovanom oktaedarskom geometrijom oko jona Cu(II), jedan molekul liganda je koordinovan u anjonskom, a drugi u neutralnom obliku, oba bis-tridentatno preko N,N,O seta donorskih atoma. U spoljašnjoj sferi kompleksa se nalaze perhloratni joni i molekuli vode. Kompleks je pokazao antimikrobnu aktivnost u niskom mikromolarnom opsegu na svim testiranim mikroorganizmima.The Cu(II) complex with the ligand H2L, which is a condensation derivative of 2-acetylpyridine and malonic acid dihydrazide, was obtained by direct synthesis. Recrystallization gave a single crystal product, and the structure of the complex was solved by X-ray structural analysis. In the inner sphere of the binuclear symmetrical complex, with distorted octahedral geometry around Cu(II) ions, one ligand molecule is coordinated in anionic and the other in neutral form, both bis-tridentaly via the N, N, O set of donor atoms. Perchlorate ions and water molecules are located in the outer sphere of the complex. The complex showed antimicrobial activity in the low micromolar range on all tested microorganisms