Jovanović, Bratislav Ž.

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  • Jovanović, Bratislav Ž. (41)
  • Jovanović, Bratislav (1)

Author's Bibliography

Conformational stability of 5-substituted orotic acid derivatives analyzed by measuring C-13 NMR chemical shifts and applying linear free energy relationships

Assaleh, Fathi H.; Marinković, Aleksandar; Nikolić, Jasmina; Prlainović, Nevena; Drmanić, Saša; Khan, Mohammad M.; Jovanović, Bratislav Ž.

(Elsevier, Amsterdam, 2019)

TY  - JOUR
AU  - Assaleh, Fathi H.
AU  - Marinković, Aleksandar
AU  - Nikolić, Jasmina
AU  - Prlainović, Nevena
AU  - Drmanić, Saša
AU  - Khan, Mohammad M.
AU  - Jovanović, Bratislav Ž.
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4115
AB  - Conformational stability of various 5-substituted orotic acid derivatives was studied by applying linear free energy relationships (LFER) to the C-13 NMR chemical shifts. The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (rI), and various resonance (rR) parameters were carried out through Single Substituent Parameter (SSP) and Dual Substituent Parameter (DSP) methods, and multiple regression analysis. Good Hammett correlations for all carbons were obtained, while electrophilic substituent constants better fitted for C2 carbon with electron-donor substituents. Conformational analysis of various derivatives using RB3LYP/6-311 ++G (3df,3dp) DFT method, together with C-13 NMR data suggests that most of the substituted orotic acid derivatives exist in planar conformation, except nitro and alkyl substituted derivatives. Internal rotation of carboxylic group showed significant impact on the extent of conjugative interaction making syn conformation more stable in all the derivatives studied. Further, of all 5-substituted orotic acid derivatives, diketo form proved to be the most stable form compared to zwitterionic and enol tautomeric forms. Optimized geometries and transmission effects of particular substituent through well-defined p-resonance units suggest that these units behave as isolated as well as conjugated fragments, depending on the type of substituent.
PB  - Elsevier, Amsterdam
T2  - Arabian Journal of Chemistry
T1  - Conformational stability of 5-substituted orotic acid derivatives analyzed by measuring C-13 NMR chemical shifts and applying linear free energy relationships
EP  - 3366
IS  - 8
SP  - 3357
VL  - 12
DO  - 10.1016/j.arabjc.2015.08.014
ER  - 
@article{
author = "Assaleh, Fathi H. and Marinković, Aleksandar and Nikolić, Jasmina and Prlainović, Nevena and Drmanić, Saša and Khan, Mohammad M. and Jovanović, Bratislav Ž.",
year = "2019",
abstract = "Conformational stability of various 5-substituted orotic acid derivatives was studied by applying linear free energy relationships (LFER) to the C-13 NMR chemical shifts. The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (rI), and various resonance (rR) parameters were carried out through Single Substituent Parameter (SSP) and Dual Substituent Parameter (DSP) methods, and multiple regression analysis. Good Hammett correlations for all carbons were obtained, while electrophilic substituent constants better fitted for C2 carbon with electron-donor substituents. Conformational analysis of various derivatives using RB3LYP/6-311 ++G (3df,3dp) DFT method, together with C-13 NMR data suggests that most of the substituted orotic acid derivatives exist in planar conformation, except nitro and alkyl substituted derivatives. Internal rotation of carboxylic group showed significant impact on the extent of conjugative interaction making syn conformation more stable in all the derivatives studied. Further, of all 5-substituted orotic acid derivatives, diketo form proved to be the most stable form compared to zwitterionic and enol tautomeric forms. Optimized geometries and transmission effects of particular substituent through well-defined p-resonance units suggest that these units behave as isolated as well as conjugated fragments, depending on the type of substituent.",
publisher = "Elsevier, Amsterdam",
journal = "Arabian Journal of Chemistry",
title = "Conformational stability of 5-substituted orotic acid derivatives analyzed by measuring C-13 NMR chemical shifts and applying linear free energy relationships",
pages = "3366-3357",
number = "8",
volume = "12",
doi = "10.1016/j.arabjc.2015.08.014"
}
Assaleh, F. H., Marinković, A., Nikolić, J., Prlainović, N., Drmanić, S., Khan, M. M.,& Jovanović, B. Ž.. (2019). Conformational stability of 5-substituted orotic acid derivatives analyzed by measuring C-13 NMR chemical shifts and applying linear free energy relationships. in Arabian Journal of Chemistry
Elsevier, Amsterdam., 12(8), 3357-3366.
https://doi.org/10.1016/j.arabjc.2015.08.014
Assaleh FH, Marinković A, Nikolić J, Prlainović N, Drmanić S, Khan MM, Jovanović BŽ. Conformational stability of 5-substituted orotic acid derivatives analyzed by measuring C-13 NMR chemical shifts and applying linear free energy relationships. in Arabian Journal of Chemistry. 2019;12(8):3357-3366.
doi:10.1016/j.arabjc.2015.08.014 .
Assaleh, Fathi H., Marinković, Aleksandar, Nikolić, Jasmina, Prlainović, Nevena, Drmanić, Saša, Khan, Mohammad M., Jovanović, Bratislav Ž., "Conformational stability of 5-substituted orotic acid derivatives analyzed by measuring C-13 NMR chemical shifts and applying linear free energy relationships" in Arabian Journal of Chemistry, 12, no. 8 (2019):3357-3366,
https://doi.org/10.1016/j.arabjc.2015.08.014 . .
4
4
5

A LFER Kinetic Study of The Reaction of 5-Substituted Orotic Acids with Diazodiphenylmethane

Assaleh, Fathi H.; Marinković, Aleksandar; Nikolić, Jasmina; Drmanić, Saša; Brković, Danijela V; Prlainović, Nevena; Jovanović, Bratislav Ž.

(Wiley, Hoboken, 2016)

TY  - JOUR
AU  - Assaleh, Fathi H.
AU  - Marinković, Aleksandar
AU  - Nikolić, Jasmina
AU  - Drmanić, Saša
AU  - Brković, Danijela V
AU  - Prlainović, Nevena
AU  - Jovanović, Bratislav Ž.
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3265
AB  - Linear free energy relationships (LFER) were applied to the kinetic data for the reaction of 5-substituted orotic acids, series 1, with diazodiphenylmethane (DDM) in N,N-dimethylformamide and compared with results obtained for 2-substituted benzoic acids, series 2. The correlation analysis of the kinetic data with sigma substituent parameters was carried out using SSP (single substituent parameter) methods. From the sign and value of proportinality constant rho, lower sensitivity to the substituent effect was obtained in series 1, 0.876, than in the series 2, 1.877. Evaluation of substituent "ortho-effect" was performed using the Charton model, which includes the steric substituent parameter, and Fujita and Nishioka's model, which describes the total ortho-effect as contribution of ordinary polar effect, the ortho-steric and ortho-polar effects. Results of correlations, obtained by using the Charton model, showed highest contribution of the polar effect, 0.861 vs. 2.101, whereas the steric effect is of lowest significance, 0.117 vs. 0.055, for series 1 and 2, respectively. Also, a low negative value of coefficient with the steric effect, -0.08, obtained from the Fujita-Nishioka model indicated low steric effect, influencing a decrease of the reaction rate in series 1. The structural and substituent effects were also studied by using the density functional theory method, and together with kinetic data, it gave a better insight into the influence of the effect of both geometry and substituent on the pi-electron density shift induced reactivity of investigated acids. geometry and substituent on the pi-electron density shift induced reactivity of investigated acids.
PB  - Wiley, Hoboken
T2  - International Journal of Chemical Kinetics
T1  - A LFER Kinetic Study of The Reaction of 5-Substituted Orotic Acids with Diazodiphenylmethane
EP  - 378
IS  - 7
SP  - 367
VL  - 48
DO  - 10.1002/kin.20997
ER  - 
@article{
author = "Assaleh, Fathi H. and Marinković, Aleksandar and Nikolić, Jasmina and Drmanić, Saša and Brković, Danijela V and Prlainović, Nevena and Jovanović, Bratislav Ž.",
year = "2016",
abstract = "Linear free energy relationships (LFER) were applied to the kinetic data for the reaction of 5-substituted orotic acids, series 1, with diazodiphenylmethane (DDM) in N,N-dimethylformamide and compared with results obtained for 2-substituted benzoic acids, series 2. The correlation analysis of the kinetic data with sigma substituent parameters was carried out using SSP (single substituent parameter) methods. From the sign and value of proportinality constant rho, lower sensitivity to the substituent effect was obtained in series 1, 0.876, than in the series 2, 1.877. Evaluation of substituent "ortho-effect" was performed using the Charton model, which includes the steric substituent parameter, and Fujita and Nishioka's model, which describes the total ortho-effect as contribution of ordinary polar effect, the ortho-steric and ortho-polar effects. Results of correlations, obtained by using the Charton model, showed highest contribution of the polar effect, 0.861 vs. 2.101, whereas the steric effect is of lowest significance, 0.117 vs. 0.055, for series 1 and 2, respectively. Also, a low negative value of coefficient with the steric effect, -0.08, obtained from the Fujita-Nishioka model indicated low steric effect, influencing a decrease of the reaction rate in series 1. The structural and substituent effects were also studied by using the density functional theory method, and together with kinetic data, it gave a better insight into the influence of the effect of both geometry and substituent on the pi-electron density shift induced reactivity of investigated acids. geometry and substituent on the pi-electron density shift induced reactivity of investigated acids.",
publisher = "Wiley, Hoboken",
journal = "International Journal of Chemical Kinetics",
title = "A LFER Kinetic Study of The Reaction of 5-Substituted Orotic Acids with Diazodiphenylmethane",
pages = "378-367",
number = "7",
volume = "48",
doi = "10.1002/kin.20997"
}
Assaleh, F. H., Marinković, A., Nikolić, J., Drmanić, S., Brković, D. V., Prlainović, N.,& Jovanović, B. Ž.. (2016). A LFER Kinetic Study of The Reaction of 5-Substituted Orotic Acids with Diazodiphenylmethane. in International Journal of Chemical Kinetics
Wiley, Hoboken., 48(7), 367-378.
https://doi.org/10.1002/kin.20997
Assaleh FH, Marinković A, Nikolić J, Drmanić S, Brković DV, Prlainović N, Jovanović BŽ. A LFER Kinetic Study of The Reaction of 5-Substituted Orotic Acids with Diazodiphenylmethane. in International Journal of Chemical Kinetics. 2016;48(7):367-378.
doi:10.1002/kin.20997 .
Assaleh, Fathi H., Marinković, Aleksandar, Nikolić, Jasmina, Drmanić, Saša, Brković, Danijela V, Prlainović, Nevena, Jovanović, Bratislav Ž., "A LFER Kinetic Study of The Reaction of 5-Substituted Orotic Acids with Diazodiphenylmethane" in International Journal of Chemical Kinetics, 48, no. 7 (2016):367-378,
https://doi.org/10.1002/kin.20997 . .
1
1
1

Solvent and Structure Effects on Electronic Absorption Spectra of the Isomeric Pyridinecarboxylic Acids

Drmanić, Saša; Nikolić, J.; Šekularac, Gavrilo; Ranković, Bojan; Jovanović, Bratislav Ž.

(Springer, New York, 2014)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Nikolić, J.
AU  - Šekularac, Gavrilo
AU  - Ranković, Bojan
AU  - Jovanović, Bratislav Ž.
PY  - 2014
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2586
AB  - Ultraviolet absorption spectra of three isomeric pyridinecarboxylic acids (picolinic, nicotinic, and isonicotinic acids) were measured in 18 various solvents, in the wavelength range from 200 to 400 nm. In order to analyze the solvent effect on the obtained absorption maxima, the ultraviolet absorption frequencies of the electronic transitions in the carbonyl group of the examined acids were correlated using a total solvatochromic equation in the forms nu(max) = nu(0) + s pi(*) + a alpha + b beta and nu(max) = nu(0) + s pi(*) + b beta, where nu(max) is the absorption frequency (1/nu(max)), pi(*) is a measure of the solvent polarity, alpha represents a scale of the solvent hydrogen bond donor acidity, and beta represents a scale of the solvent hydrogen bond acceptor basicity. Correlation of the spectroscopic data was carried out by means of multiple linear regression analysis. The effects of two different solvent types on the ultraviolet absorption maxima of the examined acids were compared and discussed.
PB  - Springer, New York
T2  - Journal of Applied Spectroscopy
T1  - Solvent and Structure Effects on Electronic Absorption Spectra of the Isomeric Pyridinecarboxylic Acids
EP  - 834
IS  - 6
SP  - 829
VL  - 80
DO  - 10.1007/s10812-014-9851-7
ER  - 
@article{
author = "Drmanić, Saša and Nikolić, J. and Šekularac, Gavrilo and Ranković, Bojan and Jovanović, Bratislav Ž.",
year = "2014",
abstract = "Ultraviolet absorption spectra of three isomeric pyridinecarboxylic acids (picolinic, nicotinic, and isonicotinic acids) were measured in 18 various solvents, in the wavelength range from 200 to 400 nm. In order to analyze the solvent effect on the obtained absorption maxima, the ultraviolet absorption frequencies of the electronic transitions in the carbonyl group of the examined acids were correlated using a total solvatochromic equation in the forms nu(max) = nu(0) + s pi(*) + a alpha + b beta and nu(max) = nu(0) + s pi(*) + b beta, where nu(max) is the absorption frequency (1/nu(max)), pi(*) is a measure of the solvent polarity, alpha represents a scale of the solvent hydrogen bond donor acidity, and beta represents a scale of the solvent hydrogen bond acceptor basicity. Correlation of the spectroscopic data was carried out by means of multiple linear regression analysis. The effects of two different solvent types on the ultraviolet absorption maxima of the examined acids were compared and discussed.",
publisher = "Springer, New York",
journal = "Journal of Applied Spectroscopy",
title = "Solvent and Structure Effects on Electronic Absorption Spectra of the Isomeric Pyridinecarboxylic Acids",
pages = "834-829",
number = "6",
volume = "80",
doi = "10.1007/s10812-014-9851-7"
}
Drmanić, S., Nikolić, J., Šekularac, G., Ranković, B.,& Jovanović, B. Ž.. (2014). Solvent and Structure Effects on Electronic Absorption Spectra of the Isomeric Pyridinecarboxylic Acids. in Journal of Applied Spectroscopy
Springer, New York., 80(6), 829-834.
https://doi.org/10.1007/s10812-014-9851-7
Drmanić S, Nikolić J, Šekularac G, Ranković B, Jovanović BŽ. Solvent and Structure Effects on Electronic Absorption Spectra of the Isomeric Pyridinecarboxylic Acids. in Journal of Applied Spectroscopy. 2014;80(6):829-834.
doi:10.1007/s10812-014-9851-7 .
Drmanić, Saša, Nikolić, J., Šekularac, Gavrilo, Ranković, Bojan, Jovanović, Bratislav Ž., "Solvent and Structure Effects on Electronic Absorption Spectra of the Isomeric Pyridinecarboxylic Acids" in Journal of Applied Spectroscopy, 80, no. 6 (2014):829-834,
https://doi.org/10.1007/s10812-014-9851-7 . .

Linear Free-Energy Relationships Applied to the C-13 NMR Chemical Shifts in 4-Substituted N-[1-(Pyridine-3-and-4-yl)ethylidene]anilines

Rančić, Milica; Trišović, Nemanja; Milčić, Miloš; Jovanović, Maja; Jovanović, Bratislav Ž.; Marinković, Aleksandar

(Wiley-Blackwell, Hoboken, 2014)

TY  - JOUR
AU  - Rančić, Milica
AU  - Trišović, Nemanja
AU  - Milčić, Miloš
AU  - Jovanović, Maja
AU  - Jovanović, Bratislav Ž.
AU  - Marinković, Aleksandar
PY  - 2014
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2732
AB  - Two series of 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines have been synthesized using different methods of conventional and microwave-assisted synthesis, and linear free-energy relationships have been applied to the C-13 NMR chemical shifts of the carbon atoms of interest. The substituent-induced chemical shifts have been analyzed using single substituent parameter and dual substituent parameter methods. The presented correlations describe satisfactorily the field and resonance substituent effects having similar contributions for C1 and the azomethine carbon, with exception of the carbon atom in para position to the substituent X. In both series, negative values have been found for C1 atom (reverse substituent effect). Quantum chemical calculations of the optimized geometries at MP2/6-31G++(d,p) level, together with C-13 NMR chemical shifts, give a better insight into the influence of the molecular conformation on the transmission of electronic substituent effects. The comparison of correlation results for different series of imines with phenyl, 4-nitrophenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl group attached at the azomethine carbon with the results for 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines for the same substituent set (X) indicates that a combination of the influences of electronic effects of the substituent X and the (1)-unit can be described as a sensitive balance of different resonance structures.
PB  - Wiley-Blackwell, Hoboken
T2  - Journal of Heterocyclic Chemistry
T1  - Linear Free-Energy Relationships Applied to the C-13 NMR Chemical Shifts in 4-Substituted N-[1-(Pyridine-3-and-4-yl)ethylidene]anilines
EP  - 1451
IS  - 5
SP  - 1442
VL  - 51
DO  - 10.1002/jhet.1752
ER  - 
@article{
author = "Rančić, Milica and Trišović, Nemanja and Milčić, Miloš and Jovanović, Maja and Jovanović, Bratislav Ž. and Marinković, Aleksandar",
year = "2014",
abstract = "Two series of 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines have been synthesized using different methods of conventional and microwave-assisted synthesis, and linear free-energy relationships have been applied to the C-13 NMR chemical shifts of the carbon atoms of interest. The substituent-induced chemical shifts have been analyzed using single substituent parameter and dual substituent parameter methods. The presented correlations describe satisfactorily the field and resonance substituent effects having similar contributions for C1 and the azomethine carbon, with exception of the carbon atom in para position to the substituent X. In both series, negative values have been found for C1 atom (reverse substituent effect). Quantum chemical calculations of the optimized geometries at MP2/6-31G++(d,p) level, together with C-13 NMR chemical shifts, give a better insight into the influence of the molecular conformation on the transmission of electronic substituent effects. The comparison of correlation results for different series of imines with phenyl, 4-nitrophenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl group attached at the azomethine carbon with the results for 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines for the same substituent set (X) indicates that a combination of the influences of electronic effects of the substituent X and the (1)-unit can be described as a sensitive balance of different resonance structures.",
publisher = "Wiley-Blackwell, Hoboken",
journal = "Journal of Heterocyclic Chemistry",
title = "Linear Free-Energy Relationships Applied to the C-13 NMR Chemical Shifts in 4-Substituted N-[1-(Pyridine-3-and-4-yl)ethylidene]anilines",
pages = "1451-1442",
number = "5",
volume = "51",
doi = "10.1002/jhet.1752"
}
Rančić, M., Trišović, N., Milčić, M., Jovanović, M., Jovanović, B. Ž.,& Marinković, A.. (2014). Linear Free-Energy Relationships Applied to the C-13 NMR Chemical Shifts in 4-Substituted N-[1-(Pyridine-3-and-4-yl)ethylidene]anilines. in Journal of Heterocyclic Chemistry
Wiley-Blackwell, Hoboken., 51(5), 1442-1451.
https://doi.org/10.1002/jhet.1752
Rančić M, Trišović N, Milčić M, Jovanović M, Jovanović BŽ, Marinković A. Linear Free-Energy Relationships Applied to the C-13 NMR Chemical Shifts in 4-Substituted N-[1-(Pyridine-3-and-4-yl)ethylidene]anilines. in Journal of Heterocyclic Chemistry. 2014;51(5):1442-1451.
doi:10.1002/jhet.1752 .
Rančić, Milica, Trišović, Nemanja, Milčić, Miloš, Jovanović, Maja, Jovanović, Bratislav Ž., Marinković, Aleksandar, "Linear Free-Energy Relationships Applied to the C-13 NMR Chemical Shifts in 4-Substituted N-[1-(Pyridine-3-and-4-yl)ethylidene]anilines" in Journal of Heterocyclic Chemistry, 51, no. 5 (2014):1442-1451,
https://doi.org/10.1002/jhet.1752 . .
1
1
1

The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides

Drmanić, Saša; Nikolić, Jasmina; Marinković, Aleksandar; Šekularac, Gavrilo; Jovanović, Bratislav Ž.

(Association of the Chemical Engineers of Serbia, 2013)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Nikolić, Jasmina
AU  - Marinković, Aleksandar
AU  - Šekularac, Gavrilo
AU  - Jovanović, Bratislav Ž.
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2291
AB  - The ultraviolet absorption spectra of the carboxyl group of three isomeric pyridine carboxylic acids N-oxides (picolinic acid N-oxide, nicotinic acid N-oxide and isonicotinic acid N-oxide) were determined in fourteen solvents in the wavelength range from 200 to 400 nm. The position of the absorption maxima (λmax) of the examined acids showed that the ultraviolet absorption maximum wavelengths of picolinic acid N-oxide are the shortest, and those of isonicotinic acid N-oxide acid are the longest. In order to analyze the solvent effect on the obtained absorption spectra, the ultraviolet absorption frequen­cies of the electronic transitions in the carboxylic group of the examined acids were correlated using a total solvatochromic equation of the form Vmax = V0 + + Sπ*+ aα+ bβ, where Vmax is the absorption frequency (1/λmax), π*is a measure of the solvent polarity, β represents the scale of solvent hydrogen bond acceptor basicities and α represents the scale of solvent hydrogen bond donor acidities. The correlation of the spectroscopic data was carried out by means of multiple linear regression analysis. The solvent effects on the ultra­violet absorption maximums of the examined acids were discussed.
AB  - UV apsorpcioni spektri pikolinske kiseline N-oksida, nikotinske kiseline N-oksida i izonikotinske kiseline N-oksida određeni su u 14 protičnih i aprotičnih rastvarača u opsegu od 200-400 nm. Položaji maksimuma apsorpcije bili su najniži za pikolinsku kiseline N-oksid, a najviši za izonikotinsku kiseline N-oksid. Da bi se analizirao uticaj ratvarača, apsorpcione frekvence su korelisane Kamlet-Taftovom jednačinom, kojom se uticaj polarnosti/polarizabilnosti, proton-donorskog i proton-akceptorskog dejstva rastvarača može kvantitativno izraziti.
PB  - Association of the Chemical Engineers of Serbia
T2  - Chemical Industry & Chemical Engineering Quarterly
T1  - The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides
T1  - Uticaj rastvarača i strukture na elektronske absorpcione spektre izomernih piridin-karboksilnih kiselina N-oksida
EP  - 388
IS  - 3
SP  - 385
VL  - 19
DO  - 10.2298/CICEQ120326073D
ER  - 
@article{
author = "Drmanić, Saša and Nikolić, Jasmina and Marinković, Aleksandar and Šekularac, Gavrilo and Jovanović, Bratislav Ž.",
year = "2013",
abstract = "The ultraviolet absorption spectra of the carboxyl group of three isomeric pyridine carboxylic acids N-oxides (picolinic acid N-oxide, nicotinic acid N-oxide and isonicotinic acid N-oxide) were determined in fourteen solvents in the wavelength range from 200 to 400 nm. The position of the absorption maxima (λmax) of the examined acids showed that the ultraviolet absorption maximum wavelengths of picolinic acid N-oxide are the shortest, and those of isonicotinic acid N-oxide acid are the longest. In order to analyze the solvent effect on the obtained absorption spectra, the ultraviolet absorption frequen­cies of the electronic transitions in the carboxylic group of the examined acids were correlated using a total solvatochromic equation of the form Vmax = V0 + + Sπ*+ aα+ bβ, where Vmax is the absorption frequency (1/λmax), π*is a measure of the solvent polarity, β represents the scale of solvent hydrogen bond acceptor basicities and α represents the scale of solvent hydrogen bond donor acidities. The correlation of the spectroscopic data was carried out by means of multiple linear regression analysis. The solvent effects on the ultra­violet absorption maximums of the examined acids were discussed., UV apsorpcioni spektri pikolinske kiseline N-oksida, nikotinske kiseline N-oksida i izonikotinske kiseline N-oksida određeni su u 14 protičnih i aprotičnih rastvarača u opsegu od 200-400 nm. Položaji maksimuma apsorpcije bili su najniži za pikolinsku kiseline N-oksid, a najviši za izonikotinsku kiseline N-oksid. Da bi se analizirao uticaj ratvarača, apsorpcione frekvence su korelisane Kamlet-Taftovom jednačinom, kojom se uticaj polarnosti/polarizabilnosti, proton-donorskog i proton-akceptorskog dejstva rastvarača može kvantitativno izraziti.",
publisher = "Association of the Chemical Engineers of Serbia",
journal = "Chemical Industry & Chemical Engineering Quarterly",
title = "The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides, Uticaj rastvarača i strukture na elektronske absorpcione spektre izomernih piridin-karboksilnih kiselina N-oksida",
pages = "388-385",
number = "3",
volume = "19",
doi = "10.2298/CICEQ120326073D"
}
Drmanić, S., Nikolić, J., Marinković, A., Šekularac, G.,& Jovanović, B. Ž.. (2013). The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides. in Chemical Industry & Chemical Engineering Quarterly
Association of the Chemical Engineers of Serbia., 19(3), 385-388.
https://doi.org/10.2298/CICEQ120326073D
Drmanić S, Nikolić J, Marinković A, Šekularac G, Jovanović BŽ. The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides. in Chemical Industry & Chemical Engineering Quarterly. 2013;19(3):385-388.
doi:10.2298/CICEQ120326073D .
Drmanić, Saša, Nikolić, Jasmina, Marinković, Aleksandar, Šekularac, Gavrilo, Jovanović, Bratislav Ž., "The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides" in Chemical Industry & Chemical Engineering Quarterly, 19, no. 3 (2013):385-388,
https://doi.org/10.2298/CICEQ120326073D . .
1
1

Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines

Urošević, Jovica V.; Drmanić, Saša; Nikolić, Jasmina; Juranić, Ivan; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2013)

TY  - JOUR
AU  - Urošević, Jovica V.
AU  - Drmanić, Saša
AU  - Nikolić, Jasmina
AU  - Juranić, Ivan
AU  - Jovanović, Bratislav Ž.
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2347
AB  - Quantitative structure-reactivity correlations for the kinetics of the Hantzsch synthesis of 4-(substituted phenyl)-1,4-dihydropyridines in the reaction between ethyl m- and p-substituted 2-benzylideneacetoacetate and the enamine (ethyl 3-aminocrotonate) was studied. The reaction kinetics was followed spectrophotometrically. It was found that the reaction correspond to second-order kinetics. Quantitative structure-reactivity correlations of log k were obtained with the corresponding substituent constants (s, s+, sI and s + ) using the Hammett and extended Hammett equation (dual substituent parameter, DSP, equation). They showed linear relationships with positive values of reaction constants (r). The obtained data were processed by linear regression analysis. It was confirmed that Michael addition of the enamine to benzylidene represented the slow step of the reaction with a high positive charge at the benzylidene molecule. MO calculations were performed and they were in agreement with the conclusions derived from the structure-reactivity correlations. .
AB  - Proučavan je kvantitativan odnos strukture i reaktivnosti za kinetiku Hančove sinteze supstituisanih 4-fenil-1,4-dihidropiridina u reakciji etil-m- i p-supstituisanih 2-benziliden-acetoacetata i enamina. Kinetika ispitivane reakcije je praćena spektrofotometrijskim metodom. Zapaženo je da je reč o reakciji drugog reda. Kvantitativne korelacije strukture i reaktivnosti koje izražavaju logaritam određene konstante brzine reakcije (log k) u zavisnosti od odgovarajućih konstanti supstituenata (s, s+,sI i s +) određene su za Hametovu (Hammett) i proširenu Hametovu jednačinu (DSP-jednačinu). Pokazale su linearnu zavisnost sa pozitivnim vrednostima nagiba, odnosno reakcione konstante (r). Time je potvrđeno da Majklova (Michael) adicija enamina na benziliden predstavlja spori stupanj u reakciji sa izraženim pozitivnim naelektrisanjem na molekulu benzilidena. MO proračuni su takođe urađeni i njihovi rezultati su bili u skladu sa zaključcima izvedenim iz korelacija strukture i reaktivnosti. .
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines
T1  - Korelacije strukture i reaktivnosti za kinetiku reakcije sinteze supstituisanih 4-fenil-1,4-dihidropiridina
EP  - 1973
IS  - 12
SP  - 1963
VL  - 78
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2347
ER  - 
@article{
author = "Urošević, Jovica V. and Drmanić, Saša and Nikolić, Jasmina and Juranić, Ivan and Jovanović, Bratislav Ž.",
year = "2013",
abstract = "Quantitative structure-reactivity correlations for the kinetics of the Hantzsch synthesis of 4-(substituted phenyl)-1,4-dihydropyridines in the reaction between ethyl m- and p-substituted 2-benzylideneacetoacetate and the enamine (ethyl 3-aminocrotonate) was studied. The reaction kinetics was followed spectrophotometrically. It was found that the reaction correspond to second-order kinetics. Quantitative structure-reactivity correlations of log k were obtained with the corresponding substituent constants (s, s+, sI and s + ) using the Hammett and extended Hammett equation (dual substituent parameter, DSP, equation). They showed linear relationships with positive values of reaction constants (r). The obtained data were processed by linear regression analysis. It was confirmed that Michael addition of the enamine to benzylidene represented the slow step of the reaction with a high positive charge at the benzylidene molecule. MO calculations were performed and they were in agreement with the conclusions derived from the structure-reactivity correlations. ., Proučavan je kvantitativan odnos strukture i reaktivnosti za kinetiku Hančove sinteze supstituisanih 4-fenil-1,4-dihidropiridina u reakciji etil-m- i p-supstituisanih 2-benziliden-acetoacetata i enamina. Kinetika ispitivane reakcije je praćena spektrofotometrijskim metodom. Zapaženo je da je reč o reakciji drugog reda. Kvantitativne korelacije strukture i reaktivnosti koje izražavaju logaritam određene konstante brzine reakcije (log k) u zavisnosti od odgovarajućih konstanti supstituenata (s, s+,sI i s +) određene su za Hametovu (Hammett) i proširenu Hametovu jednačinu (DSP-jednačinu). Pokazale su linearnu zavisnost sa pozitivnim vrednostima nagiba, odnosno reakcione konstante (r). Time je potvrđeno da Majklova (Michael) adicija enamina na benziliden predstavlja spori stupanj u reakciji sa izraženim pozitivnim naelektrisanjem na molekulu benzilidena. MO proračuni su takođe urađeni i njihovi rezultati su bili u skladu sa zaključcima izvedenim iz korelacija strukture i reaktivnosti. .",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines, Korelacije strukture i reaktivnosti za kinetiku reakcije sinteze supstituisanih 4-fenil-1,4-dihidropiridina",
pages = "1973-1963",
number = "12",
volume = "78",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2347"
}
Urošević, J. V., Drmanić, S., Nikolić, J., Juranić, I.,& Jovanović, B. Ž.. (2013). Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 78(12), 1963-1973.
https://hdl.handle.net/21.15107/rcub_technorep_2347
Urošević JV, Drmanić S, Nikolić J, Juranić I, Jovanović BŽ. Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines. in Journal of the Serbian Chemical Society. 2013;78(12):1963-1973.
https://hdl.handle.net/21.15107/rcub_technorep_2347 .
Urošević, Jovica V., Drmanić, Saša, Nikolić, Jasmina, Juranić, Ivan, Jovanović, Bratislav Ž., "Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines" in Journal of the Serbian Chemical Society, 78, no. 12 (2013):1963-1973,
https://hdl.handle.net/21.15107/rcub_technorep_2347 .
2
3

A comparative study of the linear solvation energy relationship for the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents

Drmanić, Saša; Nikolić, Jasmina; Marinković, Aleksandar; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2012)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Nikolić, Jasmina
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2073
AB  - The effects of protic and aprotic solvents on the reactivity of picolinic, nicotinic and isonicotinic acid, as well as of some substituted nicotinic acids, with diazodiphenylmethane (DDM) were investigated. In order to explain the kinetic results through solvent effects, the second-order rate constants for the reaction of the examined acids with DDM were correlated using the Camlet-Taft Solvatochromic Equation. The correlations of the kinetic data were realized by means of multiple linear regression analysis and the solvent effects on the reaction rates were analyzed in terms of the contributions of the initial and the transition state. The signs of the coefficients of the Equation support the already known reaction mechanism. Solvation models for all the investigated acids are suggested and related to their specific structure.
AB  - U ovom radu analiziran je uticaj protičnih i aprotičnih rastvarača na reaktivnost pikolinske, nikotinske i izonikotinske kiseline, kao i nekoliko supstituisanih nikotinskih kiselina sa diazodifenilmetanom (DDM). Da bi se dobijeni kinetički podaci mogli objasniti pomoću efekata rastvarača, konstante drugog reda za reakciju ispitivanih kiselina i DDM-a su korelisane Kamlet-Taftovom totalnom solvatohromnom jednačinom. Korelacija kinetičkih podataka urađena je višestrukom linearnom regresionom analizom i efekat rastvarača je posmatran sa strane osnovnog stanja, odnosno reaktanata, i prelaznog stanja u reakciji. Aritmetički znaci ispred koeficijenata u jednačini su u skladu sa poznatim mehanizmom ispitivane reakcije. Solvatacioni modeli za sve ispitivane kiseline su predloženi i povezani sa specifičnostima njihovih struktura.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - A comparative study of the linear solvation energy relationship for the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents
T1  - Komparativna studija linearne korelacije slobodnih energija za reaktivnost piridin-karboksilnih kiselina sa diazodifenil-metanom u protičnim i aprotičnim rastvaračima
EP  - 1338
IS  - 10
SP  - 1311
VL  - 77
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2073
ER  - 
@article{
author = "Drmanić, Saša and Nikolić, Jasmina and Marinković, Aleksandar and Jovanović, Bratislav Ž.",
year = "2012",
abstract = "The effects of protic and aprotic solvents on the reactivity of picolinic, nicotinic and isonicotinic acid, as well as of some substituted nicotinic acids, with diazodiphenylmethane (DDM) were investigated. In order to explain the kinetic results through solvent effects, the second-order rate constants for the reaction of the examined acids with DDM were correlated using the Camlet-Taft Solvatochromic Equation. The correlations of the kinetic data were realized by means of multiple linear regression analysis and the solvent effects on the reaction rates were analyzed in terms of the contributions of the initial and the transition state. The signs of the coefficients of the Equation support the already known reaction mechanism. Solvation models for all the investigated acids are suggested and related to their specific structure., U ovom radu analiziran je uticaj protičnih i aprotičnih rastvarača na reaktivnost pikolinske, nikotinske i izonikotinske kiseline, kao i nekoliko supstituisanih nikotinskih kiselina sa diazodifenilmetanom (DDM). Da bi se dobijeni kinetički podaci mogli objasniti pomoću efekata rastvarača, konstante drugog reda za reakciju ispitivanih kiselina i DDM-a su korelisane Kamlet-Taftovom totalnom solvatohromnom jednačinom. Korelacija kinetičkih podataka urađena je višestrukom linearnom regresionom analizom i efekat rastvarača je posmatran sa strane osnovnog stanja, odnosno reaktanata, i prelaznog stanja u reakciji. Aritmetički znaci ispred koeficijenata u jednačini su u skladu sa poznatim mehanizmom ispitivane reakcije. Solvatacioni modeli za sve ispitivane kiseline su predloženi i povezani sa specifičnostima njihovih struktura.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "A comparative study of the linear solvation energy relationship for the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents, Komparativna studija linearne korelacije slobodnih energija za reaktivnost piridin-karboksilnih kiselina sa diazodifenil-metanom u protičnim i aprotičnim rastvaračima",
pages = "1338-1311",
number = "10",
volume = "77",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2073"
}
Drmanić, S., Nikolić, J., Marinković, A.,& Jovanović, B. Ž.. (2012). A comparative study of the linear solvation energy relationship for the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 77(10), 1311-1338.
https://hdl.handle.net/21.15107/rcub_technorep_2073
Drmanić S, Nikolić J, Marinković A, Jovanović BŽ. A comparative study of the linear solvation energy relationship for the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents. in Journal of the Serbian Chemical Society. 2012;77(10):1311-1338.
https://hdl.handle.net/21.15107/rcub_technorep_2073 .
Drmanić, Saša, Nikolić, Jasmina, Marinković, Aleksandar, Jovanović, Bratislav Ž., "A comparative study of the linear solvation energy relationship for the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents" in Journal of the Serbian Chemical Society, 77, no. 10 (2012):1311-1338,
https://hdl.handle.net/21.15107/rcub_technorep_2073 .
4
5

The substituent effects on the 13C chemical shifts of the azomethine carbon atom of N-(substituted phenyl)salicylaldimines

Drmanić, Saša; Marinković, Aleksandar; Nikolić, Jasmina; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2012)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Marinković, Aleksandar
AU  - Nikolić, Jasmina
AU  - Jovanović, Bratislav Ž.
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2082
AB  - Hammett correlations between the 13C-NMR chemical shifts of the azomethine carbon atom and the corresponding substituent constants were established for thirteen Schiff bases. The successful correlation of the chemical shifts with the electrophilic substituent constants s+ indicate a significant resonance interaction of the substituents on the aniline ring with the azomethine carbon atom in the examined series of imines. The demand for electrons in the investigated compounds was compared to that of the N-benzylideneanilines and N-(substituted phenyl)pyridinealdimines. The manner of transmission of the substituent effects is discussed and they were separated into resonance and inductive effects. The inductive effects prevail over the resonance effects.
AB  - 13C-NMR hemijska pomeranja 13 Šifovih baza korelisana su sa konstantama supstituenata korišćenjem Hametove jednačine. Dobra korelacija hemijskih pomeranja azometinskog ugljenika sa elektrofilnim konstantama supstituenata (s+) pokazuje da postoji izražena rezonantna interakcija supstituenata na anilinskom prstenu sa azometinskim ugljenikom. Ispitivan je prenos elektronskih efekata supstituenata i oni su razdvojeni na induktivne i rezonantne efekte, a pokazano je da preovlađuju induktivni efekti.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - The substituent effects on the 13C chemical shifts of the azomethine carbon atom of N-(substituted phenyl)salicylaldimines
T1  - Efekat supstituenata na 13C hemijska pomeranja azometinskog ugljenika N-(supstituisani fenil)saliciladimina
EP  - 1001
IS  - 8
SP  - 993
VL  - 77
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2082
ER  - 
@article{
author = "Drmanić, Saša and Marinković, Aleksandar and Nikolić, Jasmina and Jovanović, Bratislav Ž.",
year = "2012",
abstract = "Hammett correlations between the 13C-NMR chemical shifts of the azomethine carbon atom and the corresponding substituent constants were established for thirteen Schiff bases. The successful correlation of the chemical shifts with the electrophilic substituent constants s+ indicate a significant resonance interaction of the substituents on the aniline ring with the azomethine carbon atom in the examined series of imines. The demand for electrons in the investigated compounds was compared to that of the N-benzylideneanilines and N-(substituted phenyl)pyridinealdimines. The manner of transmission of the substituent effects is discussed and they were separated into resonance and inductive effects. The inductive effects prevail over the resonance effects., 13C-NMR hemijska pomeranja 13 Šifovih baza korelisana su sa konstantama supstituenata korišćenjem Hametove jednačine. Dobra korelacija hemijskih pomeranja azometinskog ugljenika sa elektrofilnim konstantama supstituenata (s+) pokazuje da postoji izražena rezonantna interakcija supstituenata na anilinskom prstenu sa azometinskim ugljenikom. Ispitivan je prenos elektronskih efekata supstituenata i oni su razdvojeni na induktivne i rezonantne efekte, a pokazano je da preovlađuju induktivni efekti.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "The substituent effects on the 13C chemical shifts of the azomethine carbon atom of N-(substituted phenyl)salicylaldimines, Efekat supstituenata na 13C hemijska pomeranja azometinskog ugljenika N-(supstituisani fenil)saliciladimina",
pages = "1001-993",
number = "8",
volume = "77",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2082"
}
Drmanić, S., Marinković, A., Nikolić, J.,& Jovanović, B. Ž.. (2012). The substituent effects on the 13C chemical shifts of the azomethine carbon atom of N-(substituted phenyl)salicylaldimines. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 77(8), 993-1001.
https://hdl.handle.net/21.15107/rcub_technorep_2082
Drmanić S, Marinković A, Nikolić J, Jovanović BŽ. The substituent effects on the 13C chemical shifts of the azomethine carbon atom of N-(substituted phenyl)salicylaldimines. in Journal of the Serbian Chemical Society. 2012;77(8):993-1001.
https://hdl.handle.net/21.15107/rcub_technorep_2082 .
Drmanić, Saša, Marinković, Aleksandar, Nikolić, Jasmina, Jovanović, Bratislav Ž., "The substituent effects on the 13C chemical shifts of the azomethine carbon atom of N-(substituted phenyl)salicylaldimines" in Journal of the Serbian Chemical Society, 77, no. 8 (2012):993-1001,
https://hdl.handle.net/21.15107/rcub_technorep_2082 .
1

Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids

Marinković, Aleksandar; Jovanović, Bratislav Ž.; Assaleh, Fathi H.; Vajs, Vlatka; Juranić, Milan I.

(Elsevier Science Bv, Amsterdam, 2012)

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
AU  - Assaleh, Fathi H.
AU  - Vajs, Vlatka
AU  - Juranić, Milan I.
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2194
AB  - Linear free energy relationships (LFER) were applied to the kinetic data and C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. The correlation analysis for the kinetic data and substituent-induced chemical shifts (SCS) with sigma using single substituent parameter (SSP), as well as inductive (sigma(I)) and various resonance (sigma(R)) parameters using dual-substituent parameter (DSP), were carried out. The presented calculations account satisfactorily for the polar and resonance substituent effects having similar contributions at all carbons studied. Negative rho values were found for several correlations (reverse substituent effect). Exceptionally good Hammett correlation of C-13 NMR chemical shifts of azomethine carbon with electrophilic substituent constants sigma(+) indicates a significant resonance interaction in the aniline part of molecules. The conformations of investigated compounds have been studied by the use of DFT method, and together with C-13 NMR chemical shifts and kinetic data, give a better insight into the influence of such a structure on the transmission of electronic substituent effects. New sigma constants for substituted phenyliminomethyl group have been calculated.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids
EP  - 165
SP  - 158
VL  - 1011
DO  - 10.1016/j.molstruc.2010.11.004
ER  - 
@article{
author = "Marinković, Aleksandar and Jovanović, Bratislav Ž. and Assaleh, Fathi H. and Vajs, Vlatka and Juranić, Milan I.",
year = "2012",
abstract = "Linear free energy relationships (LFER) were applied to the kinetic data and C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. The correlation analysis for the kinetic data and substituent-induced chemical shifts (SCS) with sigma using single substituent parameter (SSP), as well as inductive (sigma(I)) and various resonance (sigma(R)) parameters using dual-substituent parameter (DSP), were carried out. The presented calculations account satisfactorily for the polar and resonance substituent effects having similar contributions at all carbons studied. Negative rho values were found for several correlations (reverse substituent effect). Exceptionally good Hammett correlation of C-13 NMR chemical shifts of azomethine carbon with electrophilic substituent constants sigma(+) indicates a significant resonance interaction in the aniline part of molecules. The conformations of investigated compounds have been studied by the use of DFT method, and together with C-13 NMR chemical shifts and kinetic data, give a better insight into the influence of such a structure on the transmission of electronic substituent effects. New sigma constants for substituted phenyliminomethyl group have been calculated.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids",
pages = "165-158",
volume = "1011",
doi = "10.1016/j.molstruc.2010.11.004"
}
Marinković, A., Jovanović, B. Ž., Assaleh, F. H., Vajs, V.,& Juranić, M. I.. (2012). Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1011, 158-165.
https://doi.org/10.1016/j.molstruc.2010.11.004
Marinković A, Jovanović BŽ, Assaleh FH, Vajs V, Juranić MI. Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. in Journal of Molecular Structure. 2012;1011:158-165.
doi:10.1016/j.molstruc.2010.11.004 .
Marinković, Aleksandar, Jovanović, Bratislav Ž., Assaleh, Fathi H., Vajs, Vlatka, Juranić, Milan I., "Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids" in Journal of Molecular Structure, 1011 (2012):158-165,
https://doi.org/10.1016/j.molstruc.2010.11.004 . .
6
6
7

Effects of solvent and structure on the reactivity of 2-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents

Drmanić, Saša; Nikolić, Jasmina; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2012)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Nikolić, Jasmina
AU  - Jovanović, Bratislav Ž.
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2087
AB  - The rate constants for the reactions of diazodiphenylmethane (DDM) with 2-substituted nicotinic acids in nine aprotic solvents at 30°C were determined. The obtained second order rate constants in aprotic solvents were correlated using the Kamlet-Taft solvatochromic equation in the complete form: log k = log k0 + sπ*+ a( + bβ. The correlations of the kinetic data were realized by means of multiple linear regression analysis. The obtained results were analyzed in terms of the initial and the transition state of the reaction and compared with previously determined kinetic data for nicotinic acid. The signs of the equation coefficients (s, a and b) are in agreement with the reaction mechanism and the influence of the solvent on the reaction rate is discussed based on the correlation results. The mode of the transmission of the substituent effect is discussed in light of the contribution of solute-solvent interaction to the reactivity of the acid. The substituent effect was additionally analyzed by the Hammett equation, log k = pσ + log k0.
AB  - Konstante brzine za reakciju diazodifenilmetana (DDM) sa 2-susptituisanim nikotinskim kiselinama u devet aprotičnih rastvarača su određene na 30 °S. Dobijene konstante brzine za reakciju drugog reda su korelisane Kamlet-Taftovom totalnom solvatohromnom jednačinom u obliku: log k = log k0 + sπ*+ a( + bβ. Korelacija kinetičkih podataka izvršena je višestrukom linearnom regresionom analizom. Dobijeni rezultati su analizirani u odnosu na osnovno i prelazno stanje i upoređeni sa ranije određenim vrednostima za nesupstituisanu kiselinu. Znaci ispred koeficijenata u jednačini su u skladu sa pretpostavljenim mehanizmom reakcije. Diskutovan je prenos efekata supstituenata na reakcioni centar uzimajući u obzir doprinos efekata rastvarača na reaktivnost ispitivanih jedinjenja. Efekat supstituenata je dodatno analiziran Hametovom jednačinom: log k = pσ + log k0.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Effects of solvent and structure on the reactivity of 2-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents
T1  - Efekti strukture i rastvarača na reaktivnost 2-supstituisanih nikotinskih kiselina sa diazodifenilmetanom u aprotičnim rastvaračima
EP  - 579
IS  - 5
SP  - 569
VL  - 77
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2087
ER  - 
@article{
author = "Drmanić, Saša and Nikolić, Jasmina and Jovanović, Bratislav Ž.",
year = "2012",
abstract = "The rate constants for the reactions of diazodiphenylmethane (DDM) with 2-substituted nicotinic acids in nine aprotic solvents at 30°C were determined. The obtained second order rate constants in aprotic solvents were correlated using the Kamlet-Taft solvatochromic equation in the complete form: log k = log k0 + sπ*+ a( + bβ. The correlations of the kinetic data were realized by means of multiple linear regression analysis. The obtained results were analyzed in terms of the initial and the transition state of the reaction and compared with previously determined kinetic data for nicotinic acid. The signs of the equation coefficients (s, a and b) are in agreement with the reaction mechanism and the influence of the solvent on the reaction rate is discussed based on the correlation results. The mode of the transmission of the substituent effect is discussed in light of the contribution of solute-solvent interaction to the reactivity of the acid. The substituent effect was additionally analyzed by the Hammett equation, log k = pσ + log k0., Konstante brzine za reakciju diazodifenilmetana (DDM) sa 2-susptituisanim nikotinskim kiselinama u devet aprotičnih rastvarača su određene na 30 °S. Dobijene konstante brzine za reakciju drugog reda su korelisane Kamlet-Taftovom totalnom solvatohromnom jednačinom u obliku: log k = log k0 + sπ*+ a( + bβ. Korelacija kinetičkih podataka izvršena je višestrukom linearnom regresionom analizom. Dobijeni rezultati su analizirani u odnosu na osnovno i prelazno stanje i upoređeni sa ranije određenim vrednostima za nesupstituisanu kiselinu. Znaci ispred koeficijenata u jednačini su u skladu sa pretpostavljenim mehanizmom reakcije. Diskutovan je prenos efekata supstituenata na reakcioni centar uzimajući u obzir doprinos efekata rastvarača na reaktivnost ispitivanih jedinjenja. Efekat supstituenata je dodatno analiziran Hametovom jednačinom: log k = pσ + log k0.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Effects of solvent and structure on the reactivity of 2-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents, Efekti strukture i rastvarača na reaktivnost 2-supstituisanih nikotinskih kiselina sa diazodifenilmetanom u aprotičnim rastvaračima",
pages = "579-569",
number = "5",
volume = "77",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2087"
}
Drmanić, S., Nikolić, J.,& Jovanović, B. Ž.. (2012). Effects of solvent and structure on the reactivity of 2-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 77(5), 569-579.
https://hdl.handle.net/21.15107/rcub_technorep_2087
Drmanić S, Nikolić J, Jovanović BŽ. Effects of solvent and structure on the reactivity of 2-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents. in Journal of the Serbian Chemical Society. 2012;77(5):569-579.
https://hdl.handle.net/21.15107/rcub_technorep_2087 .
Drmanić, Saša, Nikolić, Jasmina, Jovanović, Bratislav Ž., "Effects of solvent and structure on the reactivity of 2-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents" in Journal of the Serbian Chemical Society, 77, no. 5 (2012):569-579,
https://hdl.handle.net/21.15107/rcub_technorep_2087 .
3
3

Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors

Jevrić, Lidija R.; Koprivica, Gordana B.; Mišljenović, Nevena M.; Tepić, Aleksandra N.; Kuljanin, Tatjana A.; Jovanović, Bratislav Ž.

(Univerzitet u Novom Sadu, 2011)

TY  - JOUR
AU  - Jevrić, Lidija R.
AU  - Koprivica, Gordana B.
AU  - Mišljenović, Nevena M.
AU  - Tepić, Aleksandra N.
AU  - Kuljanin, Tatjana A.
AU  - Jovanović, Bratislav Ž.
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5642
AB  - In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.
PB  - Univerzitet u Novom Sadu
T2  - Acta Periodica Technologica
T1  - Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors
EP  - 239
SP  - 231
VL  - 42
DO  - 10.2298/APT1142231J
ER  - 
@article{
author = "Jevrić, Lidija R. and Koprivica, Gordana B. and Mišljenović, Nevena M. and Tepić, Aleksandra N. and Kuljanin, Tatjana A. and Jovanović, Bratislav Ž.",
year = "2011",
abstract = "In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.",
publisher = "Univerzitet u Novom Sadu",
journal = "Acta Periodica Technologica",
title = "Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors",
pages = "239-231",
volume = "42",
doi = "10.2298/APT1142231J"
}
Jevrić, L. R., Koprivica, G. B., Mišljenović, N. M., Tepić, A. N., Kuljanin, T. A.,& Jovanović, B. Ž.. (2011). Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors. in Acta Periodica Technologica
Univerzitet u Novom Sadu., 42, 231-239.
https://doi.org/10.2298/APT1142231J
Jevrić LR, Koprivica GB, Mišljenović NM, Tepić AN, Kuljanin TA, Jovanović BŽ. Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors. in Acta Periodica Technologica. 2011;42:231-239.
doi:10.2298/APT1142231J .
Jevrić, Lidija R., Koprivica, Gordana B., Mišljenović, Nevena M., Tepić, Aleksandra N., Kuljanin, Tatjana A., Jovanović, Bratislav Ž., "Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors" in Acta Periodica Technologica, 42 (2011):231-239,
https://doi.org/10.2298/APT1142231J . .
4
3

Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil

Jevrić, Lidija R.; Koprivica, Gordana B.; Mišljenović, Nevena M.; Jovanović, Bratislav Ž.

(Univerzitet u Novom Sadu, 2010)

TY  - JOUR
AU  - Jevrić, Lidija R.
AU  - Koprivica, Gordana B.
AU  - Mišljenović, Nevena M.
AU  - Jovanović, Bratislav Ž.
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5599
AB  - The chromatographic behavior of four group of s-triazine derivatives (14 compounds) has been studied by TLC on silica gel impregnated with paraffin oil. Retention mechanism has been determined using the following mobile phases: water-acetone, water-acetonitrile, water-dioxane, water-tetrahydrofuran, water-methanol and water-ethanol, by changing the volume fraction of modifier in the mobile phase. On impregnated silica gel, a reversed-phase chromatographic process occurs. Good correlation was obtained between the retention constants, RMθ (determined by linear extrapolation), and slope, S, of chromatographic equations. There was also satisfactory correlation between these retention constants and logP values calculated using different theoretical methods. The study showed that the retention constants can be used as a measure of lipophilicity of investigated compounds.
PB  - Univerzitet u Novom Sadu
T2  - Acta Periodica Technologica
T1  - Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil
EP  - 168
SP  - 159
VL  - 41
DO  - 10.2298/APT1041159J
ER  - 
@article{
author = "Jevrić, Lidija R. and Koprivica, Gordana B. and Mišljenović, Nevena M. and Jovanović, Bratislav Ž.",
year = "2010",
abstract = "The chromatographic behavior of four group of s-triazine derivatives (14 compounds) has been studied by TLC on silica gel impregnated with paraffin oil. Retention mechanism has been determined using the following mobile phases: water-acetone, water-acetonitrile, water-dioxane, water-tetrahydrofuran, water-methanol and water-ethanol, by changing the volume fraction of modifier in the mobile phase. On impregnated silica gel, a reversed-phase chromatographic process occurs. Good correlation was obtained between the retention constants, RMθ (determined by linear extrapolation), and slope, S, of chromatographic equations. There was also satisfactory correlation between these retention constants and logP values calculated using different theoretical methods. The study showed that the retention constants can be used as a measure of lipophilicity of investigated compounds.",
publisher = "Univerzitet u Novom Sadu",
journal = "Acta Periodica Technologica",
title = "Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil",
pages = "168-159",
volume = "41",
doi = "10.2298/APT1041159J"
}
Jevrić, L. R., Koprivica, G. B., Mišljenović, N. M.,& Jovanović, B. Ž.. (2010). Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil. in Acta Periodica Technologica
Univerzitet u Novom Sadu., 41, 159-168.
https://doi.org/10.2298/APT1041159J
Jevrić LR, Koprivica GB, Mišljenović NM, Jovanović BŽ. Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil. in Acta Periodica Technologica. 2010;41:159-168.
doi:10.2298/APT1041159J .
Jevrić, Lidija R., Koprivica, Gordana B., Mišljenović, Nevena M., Jovanović, Bratislav Ž., "Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil" in Acta Periodica Technologica, 41 (2010):159-168,
https://doi.org/10.2298/APT1041159J . .
5
12

ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones

Marinković, Aleksandar; Vasiljević, Tatjana; Laušević, Mila; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2009)

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Vasiljević, Tatjana
AU  - Laušević, Mila
AU  - Jovanović, Bratislav Ž.
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1375
AB  - Twelve 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones were investigated by tandem mass spectrometry using positive as well as negative electrospray ionization. The influence of the electron affinity of the substituent and the steric effect on the fragmentation is discussed. Pyridinones with a substituent of low proton affinity show loss of water, HCN or benzene from the pyridinone ring in the first step of MS2 fragmentations. Oppositely, if a substituent with high proton affinity is present on the phenyl ring in the 4-position of pyridinone, the fragmentation paths are complex, depending mainly on the substituent proton acceptor ability. Elimination of neutral molecules CO, HCN, H2O, PhH (benzene) or Ph and CN radicals are fragmentation processes common for all compounds in the subsequent steps of the fragmentations.
AB  - 3-Cijano-4-(supstituisani fenil)-6-fenil-2(1H)-piridinoni su ispitivani tandem masenom spektrometrijom korišćenjem pozitivne i negativne elektrosprej jonizacije. Ispitivan je uticaj supstituenata i sternog efekta na fragmentacije. Piridinoni koji imaju supstituente malog afiniteta prema protonu pokazuju gubitak vode, HCN ili benzena iz piridinonskog prstena u prvom koraku MS2 fragmentacija. Suprotno, ako je supstituent sa visokim afinitetom prema protonu prisutan na fenilnom prstenu u 4-položaju piridinona, složeni fragmentacioni putevi uglavnom zavise od jačine te interakcije. Eliminacije neutralnih molekula CO, HCN, H2O, PhH (benzen) ili Ph i CN radikala su fragmentacioni procesi uobičajeni za sva ispitivana jedinjenja u narednim fragmentacionim stupnjevima.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones
T1  - ESI-MS spektri 3-cijano-4-(supstituisani fenil)-6-fenil-2(1H)-piridinona
EP  - 235
IS  - 3
SP  - 223
VL  - 74
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1375
ER  - 
@article{
author = "Marinković, Aleksandar and Vasiljević, Tatjana and Laušević, Mila and Jovanović, Bratislav Ž.",
year = "2009",
abstract = "Twelve 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones were investigated by tandem mass spectrometry using positive as well as negative electrospray ionization. The influence of the electron affinity of the substituent and the steric effect on the fragmentation is discussed. Pyridinones with a substituent of low proton affinity show loss of water, HCN or benzene from the pyridinone ring in the first step of MS2 fragmentations. Oppositely, if a substituent with high proton affinity is present on the phenyl ring in the 4-position of pyridinone, the fragmentation paths are complex, depending mainly on the substituent proton acceptor ability. Elimination of neutral molecules CO, HCN, H2O, PhH (benzene) or Ph and CN radicals are fragmentation processes common for all compounds in the subsequent steps of the fragmentations., 3-Cijano-4-(supstituisani fenil)-6-fenil-2(1H)-piridinoni su ispitivani tandem masenom spektrometrijom korišćenjem pozitivne i negativne elektrosprej jonizacije. Ispitivan je uticaj supstituenata i sternog efekta na fragmentacije. Piridinoni koji imaju supstituente malog afiniteta prema protonu pokazuju gubitak vode, HCN ili benzena iz piridinonskog prstena u prvom koraku MS2 fragmentacija. Suprotno, ako je supstituent sa visokim afinitetom prema protonu prisutan na fenilnom prstenu u 4-položaju piridinona, složeni fragmentacioni putevi uglavnom zavise od jačine te interakcije. Eliminacije neutralnih molekula CO, HCN, H2O, PhH (benzen) ili Ph i CN radikala su fragmentacioni procesi uobičajeni za sva ispitivana jedinjenja u narednim fragmentacionim stupnjevima.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones, ESI-MS spektri 3-cijano-4-(supstituisani fenil)-6-fenil-2(1H)-piridinona",
pages = "235-223",
number = "3",
volume = "74",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1375"
}
Marinković, A., Vasiljević, T., Laušević, M.,& Jovanović, B. Ž.. (2009). ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 74(3), 223-235.
https://hdl.handle.net/21.15107/rcub_technorep_1375
Marinković A, Vasiljević T, Laušević M, Jovanović BŽ. ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones. in Journal of the Serbian Chemical Society. 2009;74(3):223-235.
https://hdl.handle.net/21.15107/rcub_technorep_1375 .
Marinković, Aleksandar, Vasiljević, Tatjana, Laušević, Mila, Jovanović, Bratislav Ž., "ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones" in Journal of the Serbian Chemical Society, 74, no. 3 (2009):223-235,
https://hdl.handle.net/21.15107/rcub_technorep_1375 .
1
1

Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents

Drmanić, Saša; Marinković, Aleksandar; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2009)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1391
AB  - The rate constants for the reactions of diazodiphenylmethane (DDM) with 6-substituted nicotinic acids in aprotic solvents at 30°C were determined. The obtained second order rate constants in aprotic solvents, together with literature data for benzoic and nicotinic acids in protic solvents, were used for the calculation of solvent effects, employing the Kamlet-Taft solvatochromic equation (linear solvation energy relationship - LSER) in the form: log k = log k0 + + sΠ*+ aα + bβ. The correlations of the kinetic data were performed by means of multiple linear regression analysis taking appropriate solvent parameters. The sign of the equation coefficients (s, a and b) were in agreement with the postulated reaction mechanism, and the mode of the solvent influences on the reaction rate is discussed based on the correlation results. A similar contribution of the non-specific solvent effect and electrophilic solvation was observed for all acids, while the highest contribution of nucleophilic solvation was influenced by their high acidity. Correlation analysis of the rate data with substituent óp parameters in an appropriate solvent using the Hammett equation was also performed. The substituent effect on the acid reactivity was higher in aprotic solvents of higher dipolarity/polarizability. The mode of the transmission of the substituent effect is discussed in light of the contribution of solute-solvent interaction on the acid reactivity.
AB  - Konstante brzina 6-supstituisanih nikotinskih kiselina sa diazodifenilmetanom (DDM) su određene u različitim protičnim i aprotičnim rastvaračima na 30°C. Izračunate konstante brzina, kao i literaturni podaci, korišćeni su za izračunavanje efekata rastvarača korišćenjem Kamlet-Taft-ove solvatohromne jednačine. Konstante brzina su korelisane sa parametrima rastvarača korišćenjem Kamlet-Taft-ove jednačine oblika: log k = log k0 + + sΠ*+ aα + bβ. Korelacije dobijenih kinetičkih rezultata sa odgovarajućim parametrima rastvarača su izvedene primenom metode višestruke linearne regresione analize. Znak koeficijenata (s, a i b) u dobijenim korelacijama je u saglasnosti sa reakcionim mehanizmom. Sličan doprinos nespecifičnih efekata i elektrofilne solvatacije rastvarača je uočen za sve ispitivane kiseline, a najveći doprinos nukleofilne solvatacije polaznog stanja je posledica visoke kiselosti ispitivanih kiselina. Uticaj rastvarača na vrednosti reakcionih konstanti je diskutovan na osnovu dobijenih korelacionih rezultata. Korelaciona analiza konstanti brzina sa óp konstantama supstituenata, u ispitivanom rastvaraču, izvršena je primenom Hammett-ove jednačine. Efekti supstituenata na reaktivnost ispitivanih kiselina su značajniji u aprotičnim rastvaračima visoke dipolarnosti/polarizabilnosti. Način prenosa efekata supstituenata je diskutovan u svetlu doprinosa interakcija rastvorak-rastvarač na reaktivnost ispitivanih kiselina.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents
T1  - Uticaj rastvarača i strukture na reaktivnost 6-supstituisanih nikotinskih kiselina sa diazodifenilmetanom u aprotičnim rastvaračima
EP  - 1370
IS  - 12
SP  - 1359
VL  - 74
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1391
ER  - 
@article{
author = "Drmanić, Saša and Marinković, Aleksandar and Jovanović, Bratislav Ž.",
year = "2009",
abstract = "The rate constants for the reactions of diazodiphenylmethane (DDM) with 6-substituted nicotinic acids in aprotic solvents at 30°C were determined. The obtained second order rate constants in aprotic solvents, together with literature data for benzoic and nicotinic acids in protic solvents, were used for the calculation of solvent effects, employing the Kamlet-Taft solvatochromic equation (linear solvation energy relationship - LSER) in the form: log k = log k0 + + sΠ*+ aα + bβ. The correlations of the kinetic data were performed by means of multiple linear regression analysis taking appropriate solvent parameters. The sign of the equation coefficients (s, a and b) were in agreement with the postulated reaction mechanism, and the mode of the solvent influences on the reaction rate is discussed based on the correlation results. A similar contribution of the non-specific solvent effect and electrophilic solvation was observed for all acids, while the highest contribution of nucleophilic solvation was influenced by their high acidity. Correlation analysis of the rate data with substituent óp parameters in an appropriate solvent using the Hammett equation was also performed. The substituent effect on the acid reactivity was higher in aprotic solvents of higher dipolarity/polarizability. The mode of the transmission of the substituent effect is discussed in light of the contribution of solute-solvent interaction on the acid reactivity., Konstante brzina 6-supstituisanih nikotinskih kiselina sa diazodifenilmetanom (DDM) su određene u različitim protičnim i aprotičnim rastvaračima na 30°C. Izračunate konstante brzina, kao i literaturni podaci, korišćeni su za izračunavanje efekata rastvarača korišćenjem Kamlet-Taft-ove solvatohromne jednačine. Konstante brzina su korelisane sa parametrima rastvarača korišćenjem Kamlet-Taft-ove jednačine oblika: log k = log k0 + + sΠ*+ aα + bβ. Korelacije dobijenih kinetičkih rezultata sa odgovarajućim parametrima rastvarača su izvedene primenom metode višestruke linearne regresione analize. Znak koeficijenata (s, a i b) u dobijenim korelacijama je u saglasnosti sa reakcionim mehanizmom. Sličan doprinos nespecifičnih efekata i elektrofilne solvatacije rastvarača je uočen za sve ispitivane kiseline, a najveći doprinos nukleofilne solvatacije polaznog stanja je posledica visoke kiselosti ispitivanih kiselina. Uticaj rastvarača na vrednosti reakcionih konstanti je diskutovan na osnovu dobijenih korelacionih rezultata. Korelaciona analiza konstanti brzina sa óp konstantama supstituenata, u ispitivanom rastvaraču, izvršena je primenom Hammett-ove jednačine. Efekti supstituenata na reaktivnost ispitivanih kiselina su značajniji u aprotičnim rastvaračima visoke dipolarnosti/polarizabilnosti. Način prenosa efekata supstituenata je diskutovan u svetlu doprinosa interakcija rastvorak-rastvarač na reaktivnost ispitivanih kiselina.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents, Uticaj rastvarača i strukture na reaktivnost 6-supstituisanih nikotinskih kiselina sa diazodifenilmetanom u aprotičnim rastvaračima",
pages = "1370-1359",
number = "12",
volume = "74",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1391"
}
Drmanić, S., Marinković, A.,& Jovanović, B. Ž.. (2009). Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 74(12), 1359-1370.
https://hdl.handle.net/21.15107/rcub_technorep_1391
Drmanić S, Marinković A, Jovanović BŽ. Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents. in Journal of the Serbian Chemical Society. 2009;74(12):1359-1370.
https://hdl.handle.net/21.15107/rcub_technorep_1391 .
Drmanić, Saša, Marinković, Aleksandar, Jovanović, Bratislav Ž., "Effects of solvent and structure on the reactivity of 6-substituted nicotinic acids with diazodiphenylmethane in aprotic solvents" in Journal of the Serbian Chemical Society, 74, no. 12 (2009):1359-1370,
https://hdl.handle.net/21.15107/rcub_technorep_1391 .
6
7

Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones

Marinković, Aleksandar; Jovanović, Bratislav Ž.; Todorović, Nina; Juranić, Ivan

(Elsevier Science Bv, Amsterdam, 2009)

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
AU  - Todorović, Nina
AU  - Juranić, Ivan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1480
AB  - Linear free energy relationships (LFER) were applied to the H-1 and C-13 NMR chemical shifts in 3-cyano-4(substituted phenyl)-6-phenyl-2(1H)pyridones. The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (sigma(1)), and various resonance (sigma(R)) parameters were carried out using SSP (single substituent parameter), DSP (dual substituent parameter), and DSP-NLR (dual substituent parameter non-linear resonance) methods, as well as by multiple regression analysis. The presented calculation accounts satisfactorily for the polar and resonance substituent effects operating at pyridone carbon atoms. Negative rho values were found for several correlations (reverse substituent effect). The conformations of investigated compounds have been studied by the use of semi-empirical MO-PM6 method and B3LYP density functional (DFT) hybrid methods. The twist of the plane of 4-substituted phenyl ring (theta(1)) is determined by electronic substituent effects, while the angles theta(2) are almost constant.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones
EP  - 96
IS  - 1-3
SP  - 90
VL  - 920
DO  - 10.1016/j.molstruc.2008.10.018
ER  - 
@article{
author = "Marinković, Aleksandar and Jovanović, Bratislav Ž. and Todorović, Nina and Juranić, Ivan",
year = "2009",
abstract = "Linear free energy relationships (LFER) were applied to the H-1 and C-13 NMR chemical shifts in 3-cyano-4(substituted phenyl)-6-phenyl-2(1H)pyridones. The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (sigma(1)), and various resonance (sigma(R)) parameters were carried out using SSP (single substituent parameter), DSP (dual substituent parameter), and DSP-NLR (dual substituent parameter non-linear resonance) methods, as well as by multiple regression analysis. The presented calculation accounts satisfactorily for the polar and resonance substituent effects operating at pyridone carbon atoms. Negative rho values were found for several correlations (reverse substituent effect). The conformations of investigated compounds have been studied by the use of semi-empirical MO-PM6 method and B3LYP density functional (DFT) hybrid methods. The twist of the plane of 4-substituted phenyl ring (theta(1)) is determined by electronic substituent effects, while the angles theta(2) are almost constant.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones",
pages = "96-90",
number = "1-3",
volume = "920",
doi = "10.1016/j.molstruc.2008.10.018"
}
Marinković, A., Jovanović, B. Ž., Todorović, N.,& Juranić, I.. (2009). Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 920(1-3), 90-96.
https://doi.org/10.1016/j.molstruc.2008.10.018
Marinković A, Jovanović BŽ, Todorović N, Juranić I. Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones. in Journal of Molecular Structure. 2009;920(1-3):90-96.
doi:10.1016/j.molstruc.2008.10.018 .
Marinković, Aleksandar, Jovanović, Bratislav Ž., Todorović, Nina, Juranić, Ivan, "Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones" in Journal of Molecular Structure, 920, no. 1-3 (2009):90-96,
https://doi.org/10.1016/j.molstruc.2008.10.018 . .
10
9
11

13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones

Marinković, Aleksandar; Valentić, Nataša; Mijin, Dušan; Ušćumlić, Gordana; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2008)

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Valentić, Nataša
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
AU  - Jovanović, Bratislav Ž.
PY  - 2008
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1348
AB  - The 13C- and 1H-NMR chemical shifts of thirteen N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones were measured in deuterated dimethyl sulfoxide (DMSO-d6). The correlation analysis for the substituent-induced chemical shifts (SCS) with σp, inductive (σI) and different scale of resonance (σR) parameters were performed using the SSP (single substituent parameter), DSP (dual substituent parameter) and DSP-NLR (dual substituent parameter-non-linear resonance) methods. The results of the calculations concerning the polar and resonance effects satisfactorily describe the substituent effects at the carbon atoms of interest. The mode of transmission of the substituent effects, both inductive and resonance, in relation to the geometry of the investigated pyridones is discussed.
AB  - 13C- i 1H-NMR hemijska pomeranja trinaest N(1)-(4-supstituisani fenil)-3-cijano- -4,6-dimetil-2-piridona su određena u deuterisanom dimetilsulfoksidu (DMSO-d6). Korelaciona analiza hemijskih pomeranja pojedinih ugljenikovih atoma ispitivanih jedinjenja izazvana prisutnim supstituentima (SCS) sa σp, induktivnim (σI) i različitim rezonancionim (σR) konstantama je izvršena korišćenjem SSP (monoparametarska), DSP (dvoparametarska) i DSP-NLR (dvoparametarska nelinearna) metoda. Rezultati korelacionih analiza na zadovoljavajući način opisuju efekte supstituenata za posmatrane ugljenikove atome. Diskutovan je način prenošenja efekata supstituenata, induktivnih i rezonancionih, u odnosu na geometriju ispitivanih molekula.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - 13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones
T1  - Supstituentima izazvana 13C- i 1H-NMR hemijska pomeranja N(1)-(4-supstituisani fenil)-3-cijano-4,6-dimetil-2-piridona
EP  - 524
IS  - 5
SP  - 513
VL  - 73
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1348
ER  - 
@article{
author = "Marinković, Aleksandar and Valentić, Nataša and Mijin, Dušan and Ušćumlić, Gordana and Jovanović, Bratislav Ž.",
year = "2008",
abstract = "The 13C- and 1H-NMR chemical shifts of thirteen N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones were measured in deuterated dimethyl sulfoxide (DMSO-d6). The correlation analysis for the substituent-induced chemical shifts (SCS) with σp, inductive (σI) and different scale of resonance (σR) parameters were performed using the SSP (single substituent parameter), DSP (dual substituent parameter) and DSP-NLR (dual substituent parameter-non-linear resonance) methods. The results of the calculations concerning the polar and resonance effects satisfactorily describe the substituent effects at the carbon atoms of interest. The mode of transmission of the substituent effects, both inductive and resonance, in relation to the geometry of the investigated pyridones is discussed., 13C- i 1H-NMR hemijska pomeranja trinaest N(1)-(4-supstituisani fenil)-3-cijano- -4,6-dimetil-2-piridona su određena u deuterisanom dimetilsulfoksidu (DMSO-d6). Korelaciona analiza hemijskih pomeranja pojedinih ugljenikovih atoma ispitivanih jedinjenja izazvana prisutnim supstituentima (SCS) sa σp, induktivnim (σI) i različitim rezonancionim (σR) konstantama je izvršena korišćenjem SSP (monoparametarska), DSP (dvoparametarska) i DSP-NLR (dvoparametarska nelinearna) metoda. Rezultati korelacionih analiza na zadovoljavajući način opisuju efekte supstituenata za posmatrane ugljenikove atome. Diskutovan je način prenošenja efekata supstituenata, induktivnih i rezonancionih, u odnosu na geometriju ispitivanih molekula.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones, Supstituentima izazvana 13C- i 1H-NMR hemijska pomeranja N(1)-(4-supstituisani fenil)-3-cijano-4,6-dimetil-2-piridona",
pages = "524-513",
number = "5",
volume = "73",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1348"
}
Marinković, A., Valentić, N., Mijin, D., Ušćumlić, G.,& Jovanović, B. Ž.. (2008). 13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 73(5), 513-524.
https://hdl.handle.net/21.15107/rcub_technorep_1348
Marinković A, Valentić N, Mijin D, Ušćumlić G, Jovanović BŽ. 13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones. in Journal of the Serbian Chemical Society. 2008;73(5):513-524.
https://hdl.handle.net/21.15107/rcub_technorep_1348 .
Marinković, Aleksandar, Valentić, Nataša, Mijin, Dušan, Ušćumlić, Gordana, Jovanović, Bratislav Ž., "13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones" in Journal of the Serbian Chemical Society, 73, no. 5 (2008):513-524,
https://hdl.handle.net/21.15107/rcub_technorep_1348 .
4
4

Photoelectrochemical properties of sol-gel obtained titanium oxide

Panić, Vladimir; Stevanović, Sanja; Mišković-Stanković, Vesna; Jovanović, Bratislav Ž.; Nikolić, Branislav Ž.

(Serbian Chemical Society, Belgrade, 2008)

TY  - JOUR
AU  - Panić, Vladimir
AU  - Stevanović, Sanja
AU  - Mišković-Stanković, Vesna
AU  - Jovanović, Bratislav Ž.
AU  - Nikolić, Branislav Ž.
PY  - 2008
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1306
AB  - The photoelectrochemical properties of a sol-gel prepared titanium oxide coating applied onto a Ti substrate were investigated. The oxide coating was formed from an inorganic sol thermally treated in air at 350°C. The coating consisted of agglomerates of narrow size distribution around 100 nm. The photoelectrochemical characteristics were evaluated by investigating the changes in the open circuit potential, current transients and impedance characteristics of a Ti/TiO2 electrode upon illumination by UV light in H2SO4 solution and in the oxidation of benzyl alcohol. The electrode was found to be active for photoelectrochemical reactions in the investigated solutions.
AB  - Fotoelektrohemijska svojstva titan-oksida dobijenog sol-gel portupkom ispitivana su na oksidnoj prevlaci nanetoj na titansku podlogu. Prevlaka je termički tretirana u vazduhu na temperaturi od 350°C. Prevlaka se sastoji od zrna ujednačene raspodele po veličini od oko 100 nm. Fotoelektrohemijske karakteristike ustanovljene su ispitivanjem promena potencijala otvorenog kola, vremenske zavisnosti struje i impedansnih karakteristika Ti/TiO2 elektrode pri osvetljenosti UV svetlošću u rastvoru H2SO4 i pri oksidaciji benzil-alkohola. Ustanovljena je fotoaktivnost elektrode u ispitivanim sistemima.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Photoelectrochemical properties of sol-gel obtained titanium oxide
T1  - Fotoelektrohemijska svojstva titan-oksida dobijenog sol-gel postupkom
EP  - 1221
IS  - 12
SP  - 1211
VL  - 73
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1306
ER  - 
@article{
author = "Panić, Vladimir and Stevanović, Sanja and Mišković-Stanković, Vesna and Jovanović, Bratislav Ž. and Nikolić, Branislav Ž.",
year = "2008",
abstract = "The photoelectrochemical properties of a sol-gel prepared titanium oxide coating applied onto a Ti substrate were investigated. The oxide coating was formed from an inorganic sol thermally treated in air at 350°C. The coating consisted of agglomerates of narrow size distribution around 100 nm. The photoelectrochemical characteristics were evaluated by investigating the changes in the open circuit potential, current transients and impedance characteristics of a Ti/TiO2 electrode upon illumination by UV light in H2SO4 solution and in the oxidation of benzyl alcohol. The electrode was found to be active for photoelectrochemical reactions in the investigated solutions., Fotoelektrohemijska svojstva titan-oksida dobijenog sol-gel portupkom ispitivana su na oksidnoj prevlaci nanetoj na titansku podlogu. Prevlaka je termički tretirana u vazduhu na temperaturi od 350°C. Prevlaka se sastoji od zrna ujednačene raspodele po veličini od oko 100 nm. Fotoelektrohemijske karakteristike ustanovljene su ispitivanjem promena potencijala otvorenog kola, vremenske zavisnosti struje i impedansnih karakteristika Ti/TiO2 elektrode pri osvetljenosti UV svetlošću u rastvoru H2SO4 i pri oksidaciji benzil-alkohola. Ustanovljena je fotoaktivnost elektrode u ispitivanim sistemima.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Photoelectrochemical properties of sol-gel obtained titanium oxide, Fotoelektrohemijska svojstva titan-oksida dobijenog sol-gel postupkom",
pages = "1221-1211",
number = "12",
volume = "73",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1306"
}
Panić, V., Stevanović, S., Mišković-Stanković, V., Jovanović, B. Ž.,& Nikolić, B. Ž.. (2008). Photoelectrochemical properties of sol-gel obtained titanium oxide. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 73(12), 1211-1221.
https://hdl.handle.net/21.15107/rcub_technorep_1306
Panić V, Stevanović S, Mišković-Stanković V, Jovanović BŽ, Nikolić BŽ. Photoelectrochemical properties of sol-gel obtained titanium oxide. in Journal of the Serbian Chemical Society. 2008;73(12):1211-1221.
https://hdl.handle.net/21.15107/rcub_technorep_1306 .
Panić, Vladimir, Stevanović, Sanja, Mišković-Stanković, Vesna, Jovanović, Bratislav Ž., Nikolić, Branislav Ž., "Photoelectrochemical properties of sol-gel obtained titanium oxide" in Journal of the Serbian Chemical Society, 73, no. 12 (2008):1211-1221,
https://hdl.handle.net/21.15107/rcub_technorep_1306 .
1
1

Investigation of the reactivity of 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids with diazodiphenylmethane in various alcohols: Part III

Assaleh, Fathi H.; Marinković, Aleksandar; Drmanić, Saša; Jovanović, Bratislav Ž.

(Serbian Chemical Society, Belgrade, 2007)

TY  - JOUR
AU  - Assaleh, Fathi H.
AU  - Marinković, Aleksandar
AU  - Drmanić, Saša
AU  - Jovanović, Bratislav Ž.
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1190
AB  - Rate constants for the reaction of diazodiphenylmethane (DDM) with 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids were determined in twelve protic solvents at 30 °C using the well known UV-spectrophotometric method. The second order rate contants for the examined acids were correlated using the appropriate solvent parameters by the equation log k = log k0 + af(e) + bs * + cngH were f(e) is the Kirkwood function of relative permittivity [(e-l)/(2e + 1 )], s * is the Taft polar constant for the alkyl group R in the alcohol ROH, and nyH is themumber of hydrogen atoms in the (-position in the alcohol. The results obtained for the investigated acids were compared with the corresponding results for benzoic, 2- and 3-hydroxybenzoic acids and the influence of the structure of the investigated acids on the reactivity in hydroxylic solvents is discussed. It was also possible to evaluate and distinguish the specific and non-specific solvent effects and their influence on the reaction rate.
AB  - Konstante brzina reakcija diazodifenilmetana (DDM) sa 4-pirimidinkarboksilnom, 6-hidroksi-4-pirimidinkarboksilnom i 5-hidroksiorotinskom kiselinom su određene u dvanaest protičnih rastvarača na 30 °C korišćenjem poznate UV-spektrofotometrijske metode. Konstante brzina reakcija drugog reda su korelisane sa odgovarajućim parametrima rastvarača korišćenjem solvatohromne jednačine u sledećem obliku: k = log k0 + af(e) + bs * + cngH gde je broj f(e) Kirkwood-ova funkcija permittivity [(e-l)/(2e + 1 )] relativne permitivnosti,, s * je Taft-ova konstanta alkil-grupe R alkohola ROH, i nyH je broj (-vodonikovih atoma. Dobijeni rezultati su poređeni sa rezultatima korelacija za benzoevu, kao i 2- i 3-hidroksibenzoevu kiselinu kako bi se diskutovao uticaj strukture ispitivanih kiselina u hidroksilnim rastvaračima na njihovu reaktivnost. Takođe su procenjeni specifični i nespecifični efekti rastvarača i njihov uticaj na brzinu ispitivanih reakcija.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Investigation of the reactivity of 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids with diazodiphenylmethane in various alcohols: Part III
T1  - Ispitivanje reaktivnosti 4-pirimidinkarboksilne, 6-hidroksi-4-pirimidinkarboksilne i 5-hidroksiorotinske kiseline sa diazodifenilmetanom u različitim alkoholima
EP  - 214
IS  - 3
SP  - 205
VL  - 72
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1190
ER  - 
@article{
author = "Assaleh, Fathi H. and Marinković, Aleksandar and Drmanić, Saša and Jovanović, Bratislav Ž.",
year = "2007",
abstract = "Rate constants for the reaction of diazodiphenylmethane (DDM) with 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids were determined in twelve protic solvents at 30 °C using the well known UV-spectrophotometric method. The second order rate contants for the examined acids were correlated using the appropriate solvent parameters by the equation log k = log k0 + af(e) + bs * + cngH were f(e) is the Kirkwood function of relative permittivity [(e-l)/(2e + 1 )], s * is the Taft polar constant for the alkyl group R in the alcohol ROH, and nyH is themumber of hydrogen atoms in the (-position in the alcohol. The results obtained for the investigated acids were compared with the corresponding results for benzoic, 2- and 3-hydroxybenzoic acids and the influence of the structure of the investigated acids on the reactivity in hydroxylic solvents is discussed. It was also possible to evaluate and distinguish the specific and non-specific solvent effects and their influence on the reaction rate., Konstante brzina reakcija diazodifenilmetana (DDM) sa 4-pirimidinkarboksilnom, 6-hidroksi-4-pirimidinkarboksilnom i 5-hidroksiorotinskom kiselinom su određene u dvanaest protičnih rastvarača na 30 °C korišćenjem poznate UV-spektrofotometrijske metode. Konstante brzina reakcija drugog reda su korelisane sa odgovarajućim parametrima rastvarača korišćenjem solvatohromne jednačine u sledećem obliku: k = log k0 + af(e) + bs * + cngH gde je broj f(e) Kirkwood-ova funkcija permittivity [(e-l)/(2e + 1 )] relativne permitivnosti,, s * je Taft-ova konstanta alkil-grupe R alkohola ROH, i nyH je broj (-vodonikovih atoma. Dobijeni rezultati su poređeni sa rezultatima korelacija za benzoevu, kao i 2- i 3-hidroksibenzoevu kiselinu kako bi se diskutovao uticaj strukture ispitivanih kiselina u hidroksilnim rastvaračima na njihovu reaktivnost. Takođe su procenjeni specifični i nespecifični efekti rastvarača i njihov uticaj na brzinu ispitivanih reakcija.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Investigation of the reactivity of 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids with diazodiphenylmethane in various alcohols: Part III, Ispitivanje reaktivnosti 4-pirimidinkarboksilne, 6-hidroksi-4-pirimidinkarboksilne i 5-hidroksiorotinske kiseline sa diazodifenilmetanom u različitim alkoholima",
pages = "214-205",
number = "3",
volume = "72",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1190"
}
Assaleh, F. H., Marinković, A., Drmanić, S.,& Jovanović, B. Ž.. (2007). Investigation of the reactivity of 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids with diazodiphenylmethane in various alcohols: Part III. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 72(3), 205-214.
https://hdl.handle.net/21.15107/rcub_technorep_1190
Assaleh FH, Marinković A, Drmanić S, Jovanović BŽ. Investigation of the reactivity of 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids with diazodiphenylmethane in various alcohols: Part III. in Journal of the Serbian Chemical Society. 2007;72(3):205-214.
https://hdl.handle.net/21.15107/rcub_technorep_1190 .
Assaleh, Fathi H., Marinković, Aleksandar, Drmanić, Saša, Jovanović, Bratislav Ž., "Investigation of the reactivity of 4-pyrimidinecarboxylic, 6-hydroxy-4-pyrimidinecarboxylic and 5-hydroxyorotic acids with diazodiphenylmethane in various alcohols: Part III" in Journal of the Serbian Chemical Society, 72, no. 3 (2007):205-214,
https://hdl.handle.net/21.15107/rcub_technorep_1190 .
2
2

Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils

Assaleh, Fathi H.; Marinković, Aleksandar; Jovanović, Bratislav Ž.; Csanadi, Janos

(Elsevier Science Bv, Amsterdam, 2007)

TY  - JOUR
AU  - Assaleh, Fathi H.
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
AU  - Csanadi, Janos
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1094
AB  - The C-13 NMR chemical shifts of seven N-1-p-substituted phenyl-5-methyl-4-carboxy uracils have been measured in deuterated dimethyl sulfoxide (DMSO-d sigma). The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (sigma(I)), and various resonance (sigma(R)) parameters were carried out through SSP (single substituent parameter), DSP (dual substituent parameter), and DSP-NLR (dual substituent parameter non-linear resonance) methods, as well as through multiple regression analysis. The presented calculation relative to the polar and resonance effects accounts satisfactorily for substituent effects at uracil carbon atoms. Negative rho values were found for several correlations (reverse substituent effect).
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils
EP  - 57
IS  - 1-3
SP  - 53
VL  - 833
DO  - 10.1016/j.molstruc.2006.09.002
ER  - 
@article{
author = "Assaleh, Fathi H. and Marinković, Aleksandar and Jovanović, Bratislav Ž. and Csanadi, Janos",
year = "2007",
abstract = "The C-13 NMR chemical shifts of seven N-1-p-substituted phenyl-5-methyl-4-carboxy uracils have been measured in deuterated dimethyl sulfoxide (DMSO-d sigma). The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (sigma(I)), and various resonance (sigma(R)) parameters were carried out through SSP (single substituent parameter), DSP (dual substituent parameter), and DSP-NLR (dual substituent parameter non-linear resonance) methods, as well as through multiple regression analysis. The presented calculation relative to the polar and resonance effects accounts satisfactorily for substituent effects at uracil carbon atoms. Negative rho values were found for several correlations (reverse substituent effect).",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils",
pages = "57-53",
number = "1-3",
volume = "833",
doi = "10.1016/j.molstruc.2006.09.002"
}
Assaleh, F. H., Marinković, A., Jovanović, B. Ž.,& Csanadi, J.. (2007). Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 833(1-3), 53-57.
https://doi.org/10.1016/j.molstruc.2006.09.002
Assaleh FH, Marinković A, Jovanović BŽ, Csanadi J. Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils. in Journal of Molecular Structure. 2007;833(1-3):53-57.
doi:10.1016/j.molstruc.2006.09.002 .
Assaleh, Fathi H., Marinković, Aleksandar, Jovanović, Bratislav Ž., Csanadi, Janos, "Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils" in Journal of Molecular Structure, 833, no. 1-3 (2007):53-57,
https://doi.org/10.1016/j.molstruc.2006.09.002 . .
10
8
9

Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane

Jovanović, Bratislav Ž.; Marinković, Aleksandar; Vitnik, Željko; Juranić, Ivan

(Serbian Chemical Society, Belgrade, 2007)

TY  - JOUR
AU  - Jovanović, Bratislav Ž.
AU  - Marinković, Aleksandar
AU  - Vitnik, Željko
AU  - Juranić, Ivan
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1114
AB  - The rate constants for the reaction of twenty-two N-(substituted phenylmethylene)- m- and -p-aminobenzoic acids with diazodiphenylmethane were determined in absolute ethanol at 30 °C. The effects of substituents on the reactivity of the investigated compounds were interpreted by correlation of the rate constants with LFER equations. The results of quantum mechanical calculations of the molecular structure together with experimental results gave a better insight into the effects of structure on the transmission of electronic effects of the substituents. New σ constants for substituted benzylideneamino group were calculated.
AB  - Konstante brzina reakcija između dvadeset dve N-(supstituisane fenilmetilen)-m- i -p-aminobenzoeve kiseline i diazodifenilmetana određene su u apsolutnom etanolu na 30 °C. Efekti supstituenata na reaktivnost ispitivanih jedinjenja su interpretirani korelacijom reakcionih konstanti pomoću LFER jednačina. Rezultati kvantno-mehaničkih računanja molekulske strukture zajedno sa eksperimentalnim rezultatima omogućili su bolje razumevanje uticaja strukture na prenos elektronskih efekata supstituenata. Izračunate su nove σ konstante za supstituisane benzilidenamino grupe.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane
T1  - Efekti supstituenata i strukture na kinetiku reakcije N-(supstituisanih)-m- i -p-aminobenzoevih kiselina sa diazodifenilmetanom
EP  - 1200
IS  - 12
SP  - 1191
VL  - 72
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1114
ER  - 
@article{
author = "Jovanović, Bratislav Ž. and Marinković, Aleksandar and Vitnik, Željko and Juranić, Ivan",
year = "2007",
abstract = "The rate constants for the reaction of twenty-two N-(substituted phenylmethylene)- m- and -p-aminobenzoic acids with diazodiphenylmethane were determined in absolute ethanol at 30 °C. The effects of substituents on the reactivity of the investigated compounds were interpreted by correlation of the rate constants with LFER equations. The results of quantum mechanical calculations of the molecular structure together with experimental results gave a better insight into the effects of structure on the transmission of electronic effects of the substituents. New σ constants for substituted benzylideneamino group were calculated., Konstante brzina reakcija između dvadeset dve N-(supstituisane fenilmetilen)-m- i -p-aminobenzoeve kiseline i diazodifenilmetana određene su u apsolutnom etanolu na 30 °C. Efekti supstituenata na reaktivnost ispitivanih jedinjenja su interpretirani korelacijom reakcionih konstanti pomoću LFER jednačina. Rezultati kvantno-mehaničkih računanja molekulske strukture zajedno sa eksperimentalnim rezultatima omogućili su bolje razumevanje uticaja strukture na prenos elektronskih efekata supstituenata. Izračunate su nove σ konstante za supstituisane benzilidenamino grupe.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane, Efekti supstituenata i strukture na kinetiku reakcije N-(supstituisanih)-m- i -p-aminobenzoevih kiselina sa diazodifenilmetanom",
pages = "1200-1191",
number = "12",
volume = "72",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1114"
}
Jovanović, B. Ž., Marinković, A., Vitnik, Ž.,& Juranić, I.. (2007). Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 72(12), 1191-1200.
https://hdl.handle.net/21.15107/rcub_technorep_1114
Jovanović BŽ, Marinković A, Vitnik Ž, Juranić I. Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane. in Journal of the Serbian Chemical Society. 2007;72(12):1191-1200.
https://hdl.handle.net/21.15107/rcub_technorep_1114 .
Jovanović, Bratislav Ž., Marinković, Aleksandar, Vitnik, Željko, Juranić, Ivan, "Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane" in Journal of the Serbian Chemical Society, 72, no. 12 (2007):1191-1200,
https://hdl.handle.net/21.15107/rcub_technorep_1114 .
3
3

Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents: Part II: Pyridine mono-carboxylic acid N-oxides

Drmanić, Saša; Jovanović, Bratislav Ž.; Marinković, Aleksandar; Misić-Vuković, Milica

(Serbian Chemical Society, Belgrade, 2006)

TY  - JOUR
AU  - Drmanić, Saša
AU  - Jovanović, Bratislav Ž.
AU  - Marinković, Aleksandar
AU  - Misić-Vuković, Milica
PY  - 2006
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/994
AB  - The rate constants for the reaction of three isomeric pyridine mono-carbocylic acid N-oxides with diazodiphenylmethane were determined at 30 ºC in thirty two protic and aprotic solvents by the well known UV spectrophotometric method. The rate constants are generally higher than for pyridine mono-carboxylic acids in a similar range of solvents, except for picolinic acid N-oxide, and also higher in protic than in aprotic solvents. The determined rate constants were correlated with solvent parameters using the Kamlet-Taft solvatochromic equation bymeans of multiple regression analysis. The sign of the equation coefficients were in agreement with the postulated reaction mechanism. The mode of the influences of the solvent is discussed on the basis of the correlation coefficients, taking into account the specific structures of the pyridine mono-carboxylic acid N-oxides.
AB  - Konstante brzina reakcije između diazodifenilmetana i izomernih piridin-N-oksidkarbonskih kiselina određene u trideset dva protična i aprotična rastvarača na 30 ºC, korišćenjem poznate UV spektrofotometrijske metode, analizirane su u funkciji efekata rastvarača. Vrednosti konstanti brzina su generalno veće za piridin-N-oksid- karbonske kiseline u odnosu na piridin-monokarbonske kiseline, izuzev pikolin-N-oksid-kiseline, a takođe vrednosti konstanti brzina su veće u protičnim rastvarač ima u poređenju sa aprotičnim za obe serije kiselina. Određene konstante brzina su korelisane sa parametrima rastvarača korišćenjem Kamlet-Taft solvatohromne jednačine izvedene metodom višestruke regresione analize. Znak koeficijenata u dobijenim korelacijama je u saglasnosti sa pretpostavljenim reakcionim mehanizmom. Uticaj rastvarača na vrednosti reakcionih konstanti je diskutovan na osnovu dobijenih korelacionih rezultata, uzimajući u obzir specifičnu strukturu piridin- N-oksid-monokarbonskih kiselina.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents: Part II: Pyridine mono-carboxylic acid N-oxides
T1  - Ispitivanje reaktivnosti piridin-N-oksid-monokarbonskih kiselina u reakciji sa diazodifenilmetanom u protičnim i aprotičnim rastvaračima - drugi deo
EP  - 101
IS  - 2
SP  - 89
VL  - 71
UR  - https://hdl.handle.net/21.15107/rcub_technorep_994
ER  - 
@article{
author = "Drmanić, Saša and Jovanović, Bratislav Ž. and Marinković, Aleksandar and Misić-Vuković, Milica",
year = "2006",
abstract = "The rate constants for the reaction of three isomeric pyridine mono-carbocylic acid N-oxides with diazodiphenylmethane were determined at 30 ºC in thirty two protic and aprotic solvents by the well known UV spectrophotometric method. The rate constants are generally higher than for pyridine mono-carboxylic acids in a similar range of solvents, except for picolinic acid N-oxide, and also higher in protic than in aprotic solvents. The determined rate constants were correlated with solvent parameters using the Kamlet-Taft solvatochromic equation bymeans of multiple regression analysis. The sign of the equation coefficients were in agreement with the postulated reaction mechanism. The mode of the influences of the solvent is discussed on the basis of the correlation coefficients, taking into account the specific structures of the pyridine mono-carboxylic acid N-oxides., Konstante brzina reakcije između diazodifenilmetana i izomernih piridin-N-oksidkarbonskih kiselina određene u trideset dva protična i aprotična rastvarača na 30 ºC, korišćenjem poznate UV spektrofotometrijske metode, analizirane su u funkciji efekata rastvarača. Vrednosti konstanti brzina su generalno veće za piridin-N-oksid- karbonske kiseline u odnosu na piridin-monokarbonske kiseline, izuzev pikolin-N-oksid-kiseline, a takođe vrednosti konstanti brzina su veće u protičnim rastvarač ima u poređenju sa aprotičnim za obe serije kiselina. Određene konstante brzina su korelisane sa parametrima rastvarača korišćenjem Kamlet-Taft solvatohromne jednačine izvedene metodom višestruke regresione analize. Znak koeficijenata u dobijenim korelacijama je u saglasnosti sa pretpostavljenim reakcionim mehanizmom. Uticaj rastvarača na vrednosti reakcionih konstanti je diskutovan na osnovu dobijenih korelacionih rezultata, uzimajući u obzir specifičnu strukturu piridin- N-oksid-monokarbonskih kiselina.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents: Part II: Pyridine mono-carboxylic acid N-oxides, Ispitivanje reaktivnosti piridin-N-oksid-monokarbonskih kiselina u reakciji sa diazodifenilmetanom u protičnim i aprotičnim rastvaračima - drugi deo",
pages = "101-89",
number = "2",
volume = "71",
url = "https://hdl.handle.net/21.15107/rcub_technorep_994"
}
Drmanić, S., Jovanović, B. Ž., Marinković, A.,& Misić-Vuković, M.. (2006). Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents: Part II: Pyridine mono-carboxylic acid N-oxides. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 71(2), 89-101.
https://hdl.handle.net/21.15107/rcub_technorep_994
Drmanić S, Jovanović BŽ, Marinković A, Misić-Vuković M. Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents: Part II: Pyridine mono-carboxylic acid N-oxides. in Journal of the Serbian Chemical Society. 2006;71(2):89-101.
https://hdl.handle.net/21.15107/rcub_technorep_994 .
Drmanić, Saša, Jovanović, Bratislav Ž., Marinković, Aleksandar, Misić-Vuković, Milica, "Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents: Part II: Pyridine mono-carboxylic acid N-oxides" in Journal of the Serbian Chemical Society, 71, no. 2 (2006):89-101,
https://hdl.handle.net/21.15107/rcub_technorep_994 .
4
4

Electron ionization tandem mass spectra of some 3-cyano-4-substituted phenyl-6-phenyl-2(1H)-pyridones

Marinković, Aleksandar; Perić-Grujić, Aleksandra; Jovanović, Bratislav Ž.; Ilić, Nataša; Nevešćanin, Marina

(John Wiley & Sons Ltd, Chichester, 2006)

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Perić-Grujić, Aleksandra
AU  - Jovanović, Bratislav Ž.
AU  - Ilić, Nataša
AU  - Nevešćanin, Marina
PY  - 2006
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/960
PB  - John Wiley & Sons Ltd, Chichester
T2  - Rapid Communications in Mass Spectrometry
T1  - Electron ionization tandem mass spectra of some 3-cyano-4-substituted phenyl-6-phenyl-2(1H)-pyridones
EP  - 2633
IS  - 17
SP  - 2630
VL  - 20
DO  - 10.1002/rcm.2630
ER  - 
@article{
author = "Marinković, Aleksandar and Perić-Grujić, Aleksandra and Jovanović, Bratislav Ž. and Ilić, Nataša and Nevešćanin, Marina",
year = "2006",
publisher = "John Wiley & Sons Ltd, Chichester",
journal = "Rapid Communications in Mass Spectrometry",
title = "Electron ionization tandem mass spectra of some 3-cyano-4-substituted phenyl-6-phenyl-2(1H)-pyridones",
pages = "2633-2630",
number = "17",
volume = "20",
doi = "10.1002/rcm.2630"
}
Marinković, A., Perić-Grujić, A., Jovanović, B. Ž., Ilić, N.,& Nevešćanin, M.. (2006). Electron ionization tandem mass spectra of some 3-cyano-4-substituted phenyl-6-phenyl-2(1H)-pyridones. in Rapid Communications in Mass Spectrometry
John Wiley & Sons Ltd, Chichester., 20(17), 2630-2633.
https://doi.org/10.1002/rcm.2630
Marinković A, Perić-Grujić A, Jovanović BŽ, Ilić N, Nevešćanin M. Electron ionization tandem mass spectra of some 3-cyano-4-substituted phenyl-6-phenyl-2(1H)-pyridones. in Rapid Communications in Mass Spectrometry. 2006;20(17):2630-2633.
doi:10.1002/rcm.2630 .
Marinković, Aleksandar, Perić-Grujić, Aleksandra, Jovanović, Bratislav Ž., Ilić, Nataša, Nevešćanin, Marina, "Electron ionization tandem mass spectra of some 3-cyano-4-substituted phenyl-6-phenyl-2(1H)-pyridones" in Rapid Communications in Mass Spectrometry, 20, no. 17 (2006):2630-2633,
https://doi.org/10.1002/rcm.2630 . .
2
1
1

Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems

Perišić-Janjić, Nada U.; Djaković-Sekulić, Tatjana Lj.; Jevrić, Lidija R.; Jovanović, Bratislav Ž.

(Akadémiai Kiadó, 2005)

TY  - JOUR
AU  - Perišić-Janjić, Nada U.
AU  - Djaković-Sekulić, Tatjana Lj.
AU  - Jevrić, Lidija R.
AU  - Jovanović, Bratislav Ž.
PY  - 2005
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5510
AB  - Quantitative structure-retention relationships (QSRR) have been used to study the chromatographic behavior of some s-triazines. Retention factors, RM0, on C18 layers corresponding to zero percent organic modifier in the aqueous mobile phase were determined for five mobile phase mixtures: methanol-water, acetone-water, acetonitrile-water, 2-propanol-water, and tetrahydrofuran-water and relationships between RM 0 values obtained with different organic mobile phase modifiers were examined. A variety of partition coefficients (Alog P, IAlog P, Clog P, Xlog P, log PKowin, and ACDlog P) were calculated by use of different software products. The correlation between partition coefficients and chromatographically obtained lipophilicity was analyzed. On the basis of correlations between RM0 and log P, C18 with methanol-water as mobile phase was selected as the best RP HPTLC system for determination of the octanol/water partition coefficient and thus the lipophilicity of the molecules.
PB  - Akadémiai Kiadó
PB  - Springer
T2  - Journal of Planar Chromatography - Modern TLC
T1  - Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems
EP  - 216
IS  - 103
SP  - 212
VL  - 18
DO  - 10.1556/JPC.18.2005.3.8
ER  - 
@article{
author = "Perišić-Janjić, Nada U. and Djaković-Sekulić, Tatjana Lj. and Jevrić, Lidija R. and Jovanović, Bratislav Ž.",
year = "2005",
abstract = "Quantitative structure-retention relationships (QSRR) have been used to study the chromatographic behavior of some s-triazines. Retention factors, RM0, on C18 layers corresponding to zero percent organic modifier in the aqueous mobile phase were determined for five mobile phase mixtures: methanol-water, acetone-water, acetonitrile-water, 2-propanol-water, and tetrahydrofuran-water and relationships between RM 0 values obtained with different organic mobile phase modifiers were examined. A variety of partition coefficients (Alog P, IAlog P, Clog P, Xlog P, log PKowin, and ACDlog P) were calculated by use of different software products. The correlation between partition coefficients and chromatographically obtained lipophilicity was analyzed. On the basis of correlations between RM0 and log P, C18 with methanol-water as mobile phase was selected as the best RP HPTLC system for determination of the octanol/water partition coefficient and thus the lipophilicity of the molecules.",
publisher = "Akadémiai Kiadó, Springer",
journal = "Journal of Planar Chromatography - Modern TLC",
title = "Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems",
pages = "216-212",
number = "103",
volume = "18",
doi = "10.1556/JPC.18.2005.3.8"
}
Perišić-Janjić, N. U., Djaković-Sekulić, T. Lj., Jevrić, L. R.,& Jovanović, B. Ž.. (2005). Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems. in Journal of Planar Chromatography - Modern TLC
Akadémiai Kiadó., 18(103), 212-216.
https://doi.org/10.1556/JPC.18.2005.3.8
Perišić-Janjić NU, Djaković-Sekulić TL, Jevrić LR, Jovanović BŽ. Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems. in Journal of Planar Chromatography - Modern TLC. 2005;18(103):212-216.
doi:10.1556/JPC.18.2005.3.8 .
Perišić-Janjić, Nada U., Djaković-Sekulić, Tatjana Lj., Jevrić, Lidija R., Jovanović, Bratislav Ž., "Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems" in Journal of Planar Chromatography - Modern TLC, 18, no. 103 (2005):212-216,
https://doi.org/10.1556/JPC.18.2005.3.8 . .
14
16

Oxidation of phenol on RuO2-TiO2/Ti anodes

Panić, VV; Dekanski, Aleksandar; Vidaković, Tanja; Mišković-Stanković, Vesna; Jovanović, Bratislav Ž.; Nikolić, BZ

(Springer, New York, 2005)

TY  - JOUR
AU  - Panić, VV
AU  - Dekanski, Aleksandar
AU  - Vidaković, Tanja
AU  - Mišković-Stanković, Vesna
AU  - Jovanović, Bratislav Ž.
AU  - Nikolić, BZ
PY  - 2005
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/849
AB  - The oxidation of phenol on the RuO2-TiO2/Ti electrode has been studied by cyclic voltammetry, polarization measurements, electrochemical impedance spectroscopy and potentiostatic transients in H2SO4 and NaCl aqueous solutions. A reaction path with polymerization as the main reaction and side reactions after the initial step, similar to the reaction path on other electrode materials, is suggested. The formation of a phenoxy radical in a diffusion-controlled irreversible process is the initial step. The polymerization of phenoxy radicals leads to the formation of porous polyoxyphenylene film, strongly adherent to the electrode surface. The cyclic voltammetry measurements indicate side products, which could be, according to the literature, of quinone-like structure. Polyoxyphenylene film inhibits further oxidation of phenol, although complete electrode passivation was not observed. The presence of polyoxyphenylene film does not influence the pseudocapacitive behaviour of the electrode to a great extent, since the polyoxyphenylene film covers dominantly the coating surface, while active sites placed within coating cracks remain uncovered. The film seems to be permeable for hydrogen ions and water molecules.
PB  - Springer, New York
T2  - Journal of Solid State Electrochemistry
T1  - Oxidation of phenol on RuO2-TiO2/Ti anodes
EP  - 54
IS  - 1
SP  - 43
VL  - 9
DO  - 10.1007/s10008-004-0559-0
ER  - 
@article{
author = "Panić, VV and Dekanski, Aleksandar and Vidaković, Tanja and Mišković-Stanković, Vesna and Jovanović, Bratislav Ž. and Nikolić, BZ",
year = "2005",
abstract = "The oxidation of phenol on the RuO2-TiO2/Ti electrode has been studied by cyclic voltammetry, polarization measurements, electrochemical impedance spectroscopy and potentiostatic transients in H2SO4 and NaCl aqueous solutions. A reaction path with polymerization as the main reaction and side reactions after the initial step, similar to the reaction path on other electrode materials, is suggested. The formation of a phenoxy radical in a diffusion-controlled irreversible process is the initial step. The polymerization of phenoxy radicals leads to the formation of porous polyoxyphenylene film, strongly adherent to the electrode surface. The cyclic voltammetry measurements indicate side products, which could be, according to the literature, of quinone-like structure. Polyoxyphenylene film inhibits further oxidation of phenol, although complete electrode passivation was not observed. The presence of polyoxyphenylene film does not influence the pseudocapacitive behaviour of the electrode to a great extent, since the polyoxyphenylene film covers dominantly the coating surface, while active sites placed within coating cracks remain uncovered. The film seems to be permeable for hydrogen ions and water molecules.",
publisher = "Springer, New York",
journal = "Journal of Solid State Electrochemistry",
title = "Oxidation of phenol on RuO2-TiO2/Ti anodes",
pages = "54-43",
number = "1",
volume = "9",
doi = "10.1007/s10008-004-0559-0"
}
Panić, V., Dekanski, A., Vidaković, T., Mišković-Stanković, V., Jovanović, B. Ž.,& Nikolić, B.. (2005). Oxidation of phenol on RuO2-TiO2/Ti anodes. in Journal of Solid State Electrochemistry
Springer, New York., 9(1), 43-54.
https://doi.org/10.1007/s10008-004-0559-0
Panić V, Dekanski A, Vidaković T, Mišković-Stanković V, Jovanović BŽ, Nikolić B. Oxidation of phenol on RuO2-TiO2/Ti anodes. in Journal of Solid State Electrochemistry. 2005;9(1):43-54.
doi:10.1007/s10008-004-0559-0 .
Panić, VV, Dekanski, Aleksandar, Vidaković, Tanja, Mišković-Stanković, Vesna, Jovanović, Bratislav Ž., Nikolić, BZ, "Oxidation of phenol on RuO2-TiO2/Ti anodes" in Journal of Solid State Electrochemistry, 9, no. 1 (2005):43-54,
https://doi.org/10.1007/s10008-004-0559-0 . .
32
35
40

Effect of substituents on the C-13 chemical shifts of the azomethine carbon atom of N-(substituted phenylmethylene)-3-and-4-aminobenzoic acids

Jovanović, Bratislav Ž.; Marinković, Aleksandar; Assaleh, Fathi H.; Csanadi, Janos

(Elsevier Science Bv, Amsterdam, 2005)

TY  - JOUR
AU  - Jovanović, Bratislav Ž.
AU  - Marinković, Aleksandar
AU  - Assaleh, Fathi H.
AU  - Csanadi, Janos
PY  - 2005
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/822
AB  - C-13 chemical shifts of the azomethine carbon atom for N-(substituted phenylmethylene)-3- and -4-aminobenzoic acids having a wide range of substituent effects, were determined in deuterated DMSO solution. Good Hammett correlations of the C-13 NMR chemical shifts of azomethine carbons with electrophilic substituent constants sigma(+)(p) for electron-donor substituents for both series of acids indicate an important resonance interaction of the substituents on the benzylidene ring with the azomethine carbon atom. On the other hand, good correlations of the 13 C NMR chemical shifts of azomethine carbon atom of both series of acids with inductive substituent constants for electron-acceptor substituents in benzylidene ring indicates that the chemical shifts are influenced only by inductive effect of the substituents. The demand for electrons by the azomethine carbon atom in both investigated series have been compared, discussing the mode of transmission of substituent effects, both inductive and resonance, in relation to the geometry of investigated imines.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Effect of substituents on the C-13 chemical shifts of the azomethine carbon atom of N-(substituted phenylmethylene)-3-and-4-aminobenzoic acids
EP  - 416
SP  - 411
VL  - 744
DO  - 10.1016/j.molstruc.2004.12.028
ER  - 
@article{
author = "Jovanović, Bratislav Ž. and Marinković, Aleksandar and Assaleh, Fathi H. and Csanadi, Janos",
year = "2005",
abstract = "C-13 chemical shifts of the azomethine carbon atom for N-(substituted phenylmethylene)-3- and -4-aminobenzoic acids having a wide range of substituent effects, were determined in deuterated DMSO solution. Good Hammett correlations of the C-13 NMR chemical shifts of azomethine carbons with electrophilic substituent constants sigma(+)(p) for electron-donor substituents for both series of acids indicate an important resonance interaction of the substituents on the benzylidene ring with the azomethine carbon atom. On the other hand, good correlations of the 13 C NMR chemical shifts of azomethine carbon atom of both series of acids with inductive substituent constants for electron-acceptor substituents in benzylidene ring indicates that the chemical shifts are influenced only by inductive effect of the substituents. The demand for electrons by the azomethine carbon atom in both investigated series have been compared, discussing the mode of transmission of substituent effects, both inductive and resonance, in relation to the geometry of investigated imines.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Effect of substituents on the C-13 chemical shifts of the azomethine carbon atom of N-(substituted phenylmethylene)-3-and-4-aminobenzoic acids",
pages = "416-411",
volume = "744",
doi = "10.1016/j.molstruc.2004.12.028"
}
Jovanović, B. Ž., Marinković, A., Assaleh, F. H.,& Csanadi, J.. (2005). Effect of substituents on the C-13 chemical shifts of the azomethine carbon atom of N-(substituted phenylmethylene)-3-and-4-aminobenzoic acids. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 744, 411-416.
https://doi.org/10.1016/j.molstruc.2004.12.028
Jovanović BŽ, Marinković A, Assaleh FH, Csanadi J. Effect of substituents on the C-13 chemical shifts of the azomethine carbon atom of N-(substituted phenylmethylene)-3-and-4-aminobenzoic acids. in Journal of Molecular Structure. 2005;744:411-416.
doi:10.1016/j.molstruc.2004.12.028 .
Jovanović, Bratislav Ž., Marinković, Aleksandar, Assaleh, Fathi H., Csanadi, Janos, "Effect of substituents on the C-13 chemical shifts of the azomethine carbon atom of N-(substituted phenylmethylene)-3-and-4-aminobenzoic acids" in Journal of Molecular Structure, 744 (2005):411-416,
https://doi.org/10.1016/j.molstruc.2004.12.028 . .
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