TY  - JOUR
AU  - Čakmak, Dragan
AU  - Saljnikov, Elmira
AU  - Škrivanj, Sandra B.
AU  - Roglić, Goran
AU  - Bakrac, Sasa
AU  - Sikiric, Biljana
AU  - Manojlović, Dragan D.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2027
AB  - Plant available arsenic (As) is not defined by its total content but by the various forms in soil. The aims of this study were to determine the amounts of As phases in soils extracted in the vicinity of the antimony mines; to study soil surface processes affecting formation of most mobile phases of As and the identification of sources of As phases in C soil horizon. Five fractions of soil As were determined by sequential extraction analyses (As F1, As F 2, As F 3, As F 4 and As F 5) in A and C horizons. The identification of the origin of As fractions were made by mean of principal component analyses (PCA) including Pearson correlations. The amount of the most mobile forms of As (As F1 and F2) was below 1%. The content of As F1, As F2 and As F4 decrease with soil depth, while aqua regia As and phases F3 and F5 increase with depth. Principal component analyses (PCA) showed that the content of As F2 is affected by anthropogenic factor and the content of As F4 by biological factor. In C horizon, As F2 and F4 are influenced by the leaching processes in soil. Arsenic F5 is bound to sediment rocks. The soil surface processes increases the availability of As in soil. The most mobile forms of As were found in deeper soil horizon that is due to the leaching of As with water from biological sources. The content of semi available phase of As F3 increases with depth, with stronger bounds due to the linkage to the amorphous Fe hydroxides.
PB  - Parlar Scientific Publications (P S P), Freising
T2  - Fresenius Environmental Bulletin
T1  - Identification of Different Sources and Forms of Arsenic in the Vicinity of Ore Mining in Serbia
VL  - 24
IS  - 12B
SP  - 4635
EP  - 4643
UR  - https://hdl.handle.net/21.15107/rcub_cherry_2027
ER  - 

@article{
author = "Čakmak, Dragan and Saljnikov, Elmira and Škrivanj, Sandra B. and Roglić, Goran and Bakrac, Sasa and Sikiric, Biljana and Manojlović, Dragan D.",
year = "2015",
abstract = "Plant available arsenic (As) is not defined by its total content but by the various forms in soil. The aims of this study were to determine the amounts of As phases in soils extracted in the vicinity of the antimony mines; to study soil surface processes affecting formation of most mobile phases of As and the identification of sources of As phases in C soil horizon. Five fractions of soil As were determined by sequential extraction analyses (As F1, As F 2, As F 3, As F 4 and As F 5) in A and C horizons. The identification of the origin of As fractions were made by mean of principal component analyses (PCA) including Pearson correlations. The amount of the most mobile forms of As (As F1 and F2) was below 1%. The content of As F1, As F2 and As F4 decrease with soil depth, while aqua regia As and phases F3 and F5 increase with depth. Principal component analyses (PCA) showed that the content of As F2 is affected by anthropogenic factor and the content of As F4 by biological factor. In C horizon, As F2 and F4 are influenced by the leaching processes in soil. Arsenic F5 is bound to sediment rocks. The soil surface processes increases the availability of As in soil. The most mobile forms of As were found in deeper soil horizon that is due to the leaching of As with water from biological sources. The content of semi available phase of As F3 increases with depth, with stronger bounds due to the linkage to the amorphous Fe hydroxides.",
publisher = "Parlar Scientific Publications (P S P), Freising",
journal = "Fresenius Environmental Bulletin",
title = "Identification of Different Sources and Forms of Arsenic in the Vicinity of Ore Mining in Serbia",
volume = "24",
number = "12B",
pages = "4635-4643",
url = "https://hdl.handle.net/21.15107/rcub_cherry_2027"
}

Čakmak, D., Saljnikov, E., Škrivanj, S. B., Roglić, G., Bakrac, S., Sikiric, B.,& Manojlović, D. D.. (2015). Identification of Different Sources and Forms of Arsenic in the Vicinity of Ore Mining in Serbia. in Fresenius Environmental Bulletin
Parlar Scientific Publications (P S P), Freising., 24(12B), 4635-4643.
https://hdl.handle.net/21.15107/rcub_cherry_2027

Čakmak D, Saljnikov E, Škrivanj SB, Roglić G, Bakrac S, Sikiric B, Manojlović DD. Identification of Different Sources and Forms of Arsenic in the Vicinity of Ore Mining in Serbia. in Fresenius Environmental Bulletin. 2015;24(12B):4635-4643.
https://hdl.handle.net/21.15107/rcub_cherry_2027 .

Čakmak, Dragan, Saljnikov, Elmira, Škrivanj, Sandra B., Roglić, Goran, Bakrac, Sasa, Sikiric, Biljana, Manojlović, Dragan D., "Identification of Different Sources and Forms of Arsenic in the Vicinity of Ore Mining in Serbia" in Fresenius Environmental Bulletin, 24, no. 12B (2015):4635-4643,
https://hdl.handle.net/21.15107/rcub_cherry_2027 .

TY  - JOUR
AU  - Petrović, Predrag
AU  - Grimme, Stefan
AU  - Zarić, Snežana D.
AU  - Pfeffer, Michel
AU  - Đukić, Jean-Pierre
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1806
AB  - Self-aggregation in water of anti-cancer agents such as oxaliplatin (1) or its palladium-containing parent (2) is suspected to be the main reason for the exceptional resistance of concentrated infusions of these complexes to hydrolysis; this hypothesis, i.e. the self-association of metal chelates, was investigated in a systematic manner by experimental and theoretical means. H-1 diffusion-ordered NMR spectroscopy (DOSY NMR) and UV-visible absorption titration were inconclusive as to the formation of a dimer of 1 in water or DMSO. Further isothermal titration calorimetry (ITC) methods allowed the accurate determination of the enthalpy of formation of only the homodimer [2](2) and putative heterodimer [1.2] together with an estimation of the formation constants, which indicate that dimer formation is not a spontaneous process in solution, whereas electrospray ESI mass spectroscopy tends to suggest the contrary in the gas phase. A dispersion-corrected DFT method, i. e. DFT-D (BLYP-D3), was used to model the aggregation in solution (COSMO) and to investigate the assisting role of London force in the cohesion of bimolecular aggregates. The concordance of experimental and theoretical thermodynamic parameters was judged reasonably even though the treatment of solvation by conventional continuum models does not account for specific interactions of the solute with molecules of solvent; nonetheless these results outline the importance of dispersion, a.k.a. London force. The role of the latter was further stressed by computing the affinities of 1 and 2 for the lipophilic cavity of cucurbit[7]uril in modeled water (COSMO-RS), which were preliminarily determined experimentally by ITC methods using pure water as solvent. From our investigations carried out in pure water the connection between the notorious chemical stability of "concentrated'' infusions of 1 in aqueous media and the formation of oligomers remains unsettled.
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Experimental and theoretical investigations of the self-association of oxaliplatin
VL  - 16
IS  - 28
SP  - 14688
EP  - 14698
DO  - 10.1039/c4cp01500b
ER  - 

@article{
author = "Petrović, Predrag and Grimme, Stefan and Zarić, Snežana D. and Pfeffer, Michel and Đukić, Jean-Pierre",
year = "2014",
abstract = "Self-aggregation in water of anti-cancer agents such as oxaliplatin (1) or its palladium-containing parent (2) is suspected to be the main reason for the exceptional resistance of concentrated infusions of these complexes to hydrolysis; this hypothesis, i.e. the self-association of metal chelates, was investigated in a systematic manner by experimental and theoretical means. H-1 diffusion-ordered NMR spectroscopy (DOSY NMR) and UV-visible absorption titration were inconclusive as to the formation of a dimer of 1 in water or DMSO. Further isothermal titration calorimetry (ITC) methods allowed the accurate determination of the enthalpy of formation of only the homodimer [2](2) and putative heterodimer [1.2] together with an estimation of the formation constants, which indicate that dimer formation is not a spontaneous process in solution, whereas electrospray ESI mass spectroscopy tends to suggest the contrary in the gas phase. A dispersion-corrected DFT method, i. e. DFT-D (BLYP-D3), was used to model the aggregation in solution (COSMO) and to investigate the assisting role of London force in the cohesion of bimolecular aggregates. The concordance of experimental and theoretical thermodynamic parameters was judged reasonably even though the treatment of solvation by conventional continuum models does not account for specific interactions of the solute with molecules of solvent; nonetheless these results outline the importance of dispersion, a.k.a. London force. The role of the latter was further stressed by computing the affinities of 1 and 2 for the lipophilic cavity of cucurbit[7]uril in modeled water (COSMO-RS), which were preliminarily determined experimentally by ITC methods using pure water as solvent. From our investigations carried out in pure water the connection between the notorious chemical stability of "concentrated'' infusions of 1 in aqueous media and the formation of oligomers remains unsettled.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Experimental and theoretical investigations of the self-association of oxaliplatin",
volume = "16",
number = "28",
pages = "14688-14698",
doi = "10.1039/c4cp01500b"
}

Petrović, P., Grimme, S., Zarić, S. D., Pfeffer, M.,& Đukić, J.. (2014). Experimental and theoretical investigations of the self-association of oxaliplatin. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 16(28), 14688-14698.
https://doi.org/10.1039/c4cp01500b

Petrović P, Grimme S, Zarić SD, Pfeffer M, Đukić J. Experimental and theoretical investigations of the self-association of oxaliplatin. in Physical Chemistry Chemical Physics. 2014;16(28):14688-14698.
doi:10.1039/c4cp01500b .

Petrović, Predrag, Grimme, Stefan, Zarić, Snežana D., Pfeffer, Michel, Đukić, Jean-Pierre, "Experimental and theoretical investigations of the self-association of oxaliplatin" in Physical Chemistry Chemical Physics, 16, no. 28 (2014):14688-14698,
https://doi.org/10.1039/c4cp01500b . .