Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla

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Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla (en)
Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (sr)
Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla (sr_RS)
Authors

Publications

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 . .
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Influence of process parameters on the photodegradation of synthesized azo pyridone dye in TiO2 water suspension under simulated sunlight

Dostanić, Jasmina; Lončarević, Davor; Banković, Predrag; Cvetković, Olga; Jovanović, Dušan M.; Mijin, Dušan

(Taylor & Francis Inc, Philadelphia, 2011)

TY  - JOUR
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Banković, Predrag
AU  - Cvetković, Olga
AU  - Jovanović, Dušan M.
AU  - Mijin, Dušan
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1924
AB  - Photocatalytic degradation of synthesized azo pyridone dye (5-(4-sulpho phenylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridone), in aqueous solutions by simulated sunlight in the presence of commercial TiO2, Aeroxide P25, was studied. The reaction kinetics analysis showed that photodegradation exhibits pseudo first-order kinetics according to Langmuir-Hinshelwood model. The effects of various process parameters on the photocatalytic degradation were investigated. The optimal catalyst content and pH were determined. A decrease in the reaction rate was observed upon the increase of the initial dye concentration. Degradation of the dye was enhanced by hydrogen peroxide, but it was inhibited by ethanol. The influence of temperature was studied, and the energy of activation was determined. According to total organic carbon (TOC) analysis, 54% of TOC remained when 100% of the dye was decolorized. Although the intermediates were not determined in this study, the TOC results clearly indicate their presence during the reaction. In addition, photocatalytic degradation of simulated dyehouse effluents, containing tested azo pyridone dye and associated auxiliary chemicals was investigated.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Environmental Science and Health Part A-Toxic/Hazardous Substances & Environmental Engine
T1  - Influence of process parameters on the photodegradation of synthesized azo pyridone dye in TiO2 water suspension under simulated sunlight
EP  - 79
IS  - 1
SP  - 70
VL  - 46
DO  - 10.1080/10934529.2011.526905
ER  - 
@article{
author = "Dostanić, Jasmina and Lončarević, Davor and Banković, Predrag and Cvetković, Olga and Jovanović, Dušan M. and Mijin, Dušan",
year = "2011",
abstract = "Photocatalytic degradation of synthesized azo pyridone dye (5-(4-sulpho phenylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridone), in aqueous solutions by simulated sunlight in the presence of commercial TiO2, Aeroxide P25, was studied. The reaction kinetics analysis showed that photodegradation exhibits pseudo first-order kinetics according to Langmuir-Hinshelwood model. The effects of various process parameters on the photocatalytic degradation were investigated. The optimal catalyst content and pH were determined. A decrease in the reaction rate was observed upon the increase of the initial dye concentration. Degradation of the dye was enhanced by hydrogen peroxide, but it was inhibited by ethanol. The influence of temperature was studied, and the energy of activation was determined. According to total organic carbon (TOC) analysis, 54% of TOC remained when 100% of the dye was decolorized. Although the intermediates were not determined in this study, the TOC results clearly indicate their presence during the reaction. In addition, photocatalytic degradation of simulated dyehouse effluents, containing tested azo pyridone dye and associated auxiliary chemicals was investigated.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Environmental Science and Health Part A-Toxic/Hazardous Substances & Environmental Engine",
title = "Influence of process parameters on the photodegradation of synthesized azo pyridone dye in TiO2 water suspension under simulated sunlight",
pages = "79-70",
number = "1",
volume = "46",
doi = "10.1080/10934529.2011.526905"
}
Dostanić, J., Lončarević, D., Banković, P., Cvetković, O., Jovanović, D. M.,& Mijin, D.. (2011). Influence of process parameters on the photodegradation of synthesized azo pyridone dye in TiO2 water suspension under simulated sunlight. in Journal of Environmental Science and Health Part A-Toxic/Hazardous Substances & Environmental Engine
Taylor & Francis Inc, Philadelphia., 46(1), 70-79.
https://doi.org/10.1080/10934529.2011.526905
Dostanić J, Lončarević D, Banković P, Cvetković O, Jovanović DM, Mijin D. Influence of process parameters on the photodegradation of synthesized azo pyridone dye in TiO2 water suspension under simulated sunlight. in Journal of Environmental Science and Health Part A-Toxic/Hazardous Substances & Environmental Engine. 2011;46(1):70-79.
doi:10.1080/10934529.2011.526905 .
Dostanić, Jasmina, Lončarević, Davor, Banković, Predrag, Cvetković, Olga, Jovanović, Dušan M., Mijin, Dušan, "Influence of process parameters on the photodegradation of synthesized azo pyridone dye in TiO2 water suspension under simulated sunlight" in Journal of Environmental Science and Health Part A-Toxic/Hazardous Substances & Environmental Engine, 46, no. 1 (2011):70-79,
https://doi.org/10.1080/10934529.2011.526905 . .
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Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins

Hmuda, Sleem F.; Trišović, Nemanja; Valentić, Nataša; Ušćumlić, Gordana

(Springer/Plenum Publishers, New York, 2011)

TY  - JOUR
AU  - Hmuda, Sleem F.
AU  - Trišović, Nemanja
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1930
AB  - Two series of 3-(4-substituted benzyl)-5-ethyl-5-phenyl- and 3-(4-substituted benzyl)-5,5-diphenylhydantoins were synthesized and their UV absorption spectra were recorded in the region 200-400 nm in selected solvents of different polarity. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions on the spectral shifts were analyzed by means of the linear solvation energy relationship (LSER) methodology of Kamlet and Taft. The quantitative relationships between hydrogen bonding interactions and the lipophilicity and blood-brain permeation of the studied compounds were discussed. Satisfactory linear dependences were obtained for moderate electron-donating and electron-withdrawing substituents at the benzyl moiety, while the strong electron-withdrawing substituent (NO2) significantly modifies the solvation characteristics of the molecule. The paper clearly demonstrates how the solvatochromic comparison method may be applied to estimate the contributions of various modes of solvation to the pharmaceutically relevant properties of these newly synthetized hydantoin derivatives.
PB  - Springer/Plenum Publishers, New York
T2  - Journal of Solution Chemistry
T1  - Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins
EP  - 319
IS  - 2
SP  - 307
VL  - 40
DO  - 10.1007/s10953-010-9641-7
ER  - 
@article{
author = "Hmuda, Sleem F. and Trišović, Nemanja and Valentić, Nataša and Ušćumlić, Gordana",
year = "2011",
abstract = "Two series of 3-(4-substituted benzyl)-5-ethyl-5-phenyl- and 3-(4-substituted benzyl)-5,5-diphenylhydantoins were synthesized and their UV absorption spectra were recorded in the region 200-400 nm in selected solvents of different polarity. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions on the spectral shifts were analyzed by means of the linear solvation energy relationship (LSER) methodology of Kamlet and Taft. The quantitative relationships between hydrogen bonding interactions and the lipophilicity and blood-brain permeation of the studied compounds were discussed. Satisfactory linear dependences were obtained for moderate electron-donating and electron-withdrawing substituents at the benzyl moiety, while the strong electron-withdrawing substituent (NO2) significantly modifies the solvation characteristics of the molecule. The paper clearly demonstrates how the solvatochromic comparison method may be applied to estimate the contributions of various modes of solvation to the pharmaceutically relevant properties of these newly synthetized hydantoin derivatives.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Journal of Solution Chemistry",
title = "Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins",
pages = "319-307",
number = "2",
volume = "40",
doi = "10.1007/s10953-010-9641-7"
}
Hmuda, S. F., Trišović, N., Valentić, N.,& Ušćumlić, G.. (2011). Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins. in Journal of Solution Chemistry
Springer/Plenum Publishers, New York., 40(2), 307-319.
https://doi.org/10.1007/s10953-010-9641-7
Hmuda SF, Trišović N, Valentić N, Ušćumlić G. Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins. in Journal of Solution Chemistry. 2011;40(2):307-319.
doi:10.1007/s10953-010-9641-7 .
Hmuda, Sleem F., Trišović, Nemanja, Valentić, Nataša, Ušćumlić, Gordana, "Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins" in Journal of Solution Chemistry, 40, no. 2 (2011):307-319,
https://doi.org/10.1007/s10953-010-9641-7 . .
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7
7

A study of the catalytic role of a gold electrode in the electrochemical activation of four macrolide antibiotics in sodium bicarbonate solution

Avramov-Ivić, Milka; Petrović, Slobodan; Živković, Predrag M.; Mijin, Dušan; Drljević, Katica

(Association of the Chemical Engineers of Serbia, 2010)

TY  - JOUR
AU  - Avramov-Ivić, Milka
AU  - Petrović, Slobodan
AU  - Živković, Predrag M.
AU  - Mijin, Dušan
AU  - Drljević, Katica
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1671
AB  - Using the cyclic voltammetry, it has been shown that hydrogen evolution at a gold electrode is necessary in the electrochemical activation of azithromycin dihydrate and erythromycin A. After four hours of the potential holding at -1.2 V vs. SCE, the pH of the electrolyte has been changed from 8.40 to 8.96; from 8.40 to 8.77 in the presence of erythromycin A, and from 8.40 to 9.18 in the presence of azithromycin, indicating the reaction of the hydrogen species with antibiotics. This effect has been confirmed by using the phenolphthalein indicator and by analysing colours of the solutions by UV-Vis, as well as by FTIR spectroscopy. Under the identical experimental conditions at the gold electrode, in contrast to azithromycin dihydrate and erythromycin A, roxithromycin and midecamycin electroactivity promotion has been obtained during the first forward sweep starting from the area of a double layer region.
AB  - Metodom ciklične voltametrije je pokazano da je izdvajanje vodonika na elektrodi od zlata neophodno za elektrohemijsku aktivaciju azitromicin-dihidrata i eritromicina A. Četiri sata držanja potencijala na vrednosti 1,2 V vs. SCE je rezultovalo u promeni pH elektrolita sa 8,40 na 8,96; sa 8,40 na 8,77 u prisustvu eritromicina A, i sa 8,40 na 9,18 u prisustvu azitromicina, ukazujući na reakciju čestica izdvojenog vodonika sa antibioticima. Efekat je potvrđen upotrebom fenolftalein indikatora i analizom boje elektrolita UV-Vis spektroskopijom, a molekula antibiotika FTIR spektroskopijom. Pod istim eksperimentalnim uslovima na elektrodi od zlata, u suprotnosti sa ponašanjem azitromicin-dihidrata i eritromicina A, elektroaktivnost roksitromicina i midekamicina je uočena počevši od oblasti formiranja dvojnog sloja, tj. bez ikakvog učešća čestica izdvojenog vodonika.
PB  - Association of the Chemical Engineers of Serbia
T2  - Chemical Industry & Chemical Engineering Quarterly
T1  - A study of the catalytic role of a gold electrode in the electrochemical activation of four macrolide antibiotics in sodium bicarbonate solution
T1  - Ispitivanje katalitičke uloge elektrode od zlata u elektrohemijskoj aktivaciji četiri makrolidna antibiotika u natrijum-bikarbonatnom elektrolitu
EP  - 116
IS  - 2
SP  - 111
VL  - 16
DO  - 10.2298/CICEQ091211017A
ER  - 
@article{
author = "Avramov-Ivić, Milka and Petrović, Slobodan and Živković, Predrag M. and Mijin, Dušan and Drljević, Katica",
year = "2010",
abstract = "Using the cyclic voltammetry, it has been shown that hydrogen evolution at a gold electrode is necessary in the electrochemical activation of azithromycin dihydrate and erythromycin A. After four hours of the potential holding at -1.2 V vs. SCE, the pH of the electrolyte has been changed from 8.40 to 8.96; from 8.40 to 8.77 in the presence of erythromycin A, and from 8.40 to 9.18 in the presence of azithromycin, indicating the reaction of the hydrogen species with antibiotics. This effect has been confirmed by using the phenolphthalein indicator and by analysing colours of the solutions by UV-Vis, as well as by FTIR spectroscopy. Under the identical experimental conditions at the gold electrode, in contrast to azithromycin dihydrate and erythromycin A, roxithromycin and midecamycin electroactivity promotion has been obtained during the first forward sweep starting from the area of a double layer region., Metodom ciklične voltametrije je pokazano da je izdvajanje vodonika na elektrodi od zlata neophodno za elektrohemijsku aktivaciju azitromicin-dihidrata i eritromicina A. Četiri sata držanja potencijala na vrednosti 1,2 V vs. SCE je rezultovalo u promeni pH elektrolita sa 8,40 na 8,96; sa 8,40 na 8,77 u prisustvu eritromicina A, i sa 8,40 na 9,18 u prisustvu azitromicina, ukazujući na reakciju čestica izdvojenog vodonika sa antibioticima. Efekat je potvrđen upotrebom fenolftalein indikatora i analizom boje elektrolita UV-Vis spektroskopijom, a molekula antibiotika FTIR spektroskopijom. Pod istim eksperimentalnim uslovima na elektrodi od zlata, u suprotnosti sa ponašanjem azitromicin-dihidrata i eritromicina A, elektroaktivnost roksitromicina i midekamicina je uočena počevši od oblasti formiranja dvojnog sloja, tj. bez ikakvog učešća čestica izdvojenog vodonika.",
publisher = "Association of the Chemical Engineers of Serbia",
journal = "Chemical Industry & Chemical Engineering Quarterly",
title = "A study of the catalytic role of a gold electrode in the electrochemical activation of four macrolide antibiotics in sodium bicarbonate solution, Ispitivanje katalitičke uloge elektrode od zlata u elektrohemijskoj aktivaciji četiri makrolidna antibiotika u natrijum-bikarbonatnom elektrolitu",
pages = "116-111",
number = "2",
volume = "16",
doi = "10.2298/CICEQ091211017A"
}
Avramov-Ivić, M., Petrović, S., Živković, P. M., Mijin, D.,& Drljević, K.. (2010). A study of the catalytic role of a gold electrode in the electrochemical activation of four macrolide antibiotics in sodium bicarbonate solution. in Chemical Industry & Chemical Engineering Quarterly
Association of the Chemical Engineers of Serbia., 16(2), 111-116.
https://doi.org/10.2298/CICEQ091211017A
Avramov-Ivić M, Petrović S, Živković PM, Mijin D, Drljević K. A study of the catalytic role of a gold electrode in the electrochemical activation of four macrolide antibiotics in sodium bicarbonate solution. in Chemical Industry & Chemical Engineering Quarterly. 2010;16(2):111-116.
doi:10.2298/CICEQ091211017A .
Avramov-Ivić, Milka, Petrović, Slobodan, Živković, Predrag M., Mijin, Dušan, Drljević, Katica, "A study of the catalytic role of a gold electrode in the electrochemical activation of four macrolide antibiotics in sodium bicarbonate solution" in Chemical Industry & Chemical Engineering Quarterly, 16, no. 2 (2010):111-116,
https://doi.org/10.2298/CICEQ091211017A . .
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A synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate using different oxidants

Milosavljević, Milutin M.; Sovrlić, Milica; Marinković, Aleksandar; Milenković, Dragan D.

(Springer Wien, Wien, 2010)

TY  - JOUR
AU  - Milosavljević, Milutin M.
AU  - Sovrlić, Milica
AU  - Marinković, Aleksandar
AU  - Milenković, Dragan D.
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1660
AB  - A novel synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate and primary and secondary amines, using three oxidizing systems, has been developed on the laboratory scale, and the method using sodium hypochlorite has been applied on a semi-industrial scale. The effect of the oxidizing agents, sodium hypochlorite, in-situ-generated peracetic acid, and the manganese(II) acetate/oxygen system on product purity and yield was studied. The results obtained by use of these three methods were compared with those obtained by reaction of sodium ethyl xanthogenacetate and amines, and of sodium ethyl xanthate with amines in the presence of sulfated nickel zeolite catalyst. The reaction mechanism of sodium hypochlorite oxidation has been established on the basis of isolation of reaction intermediates and determination of their structure by use of Fourier-transform infrared, (1)H and (13)C NMR, and mass spectrometric methods. The suggested sodium hypochlorite and manganese(II) acetate/oxygen systems have many advantages in comparison with commercial and catalytically promoted synthetic methods, because they are new ecologically friendly syntheses.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - A synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate using different oxidants
EP  - 755
IS  - 7
SP  - 749
VL  - 141
DO  - 10.1007/s00706-010-0328-y
ER  - 
@article{
author = "Milosavljević, Milutin M. and Sovrlić, Milica and Marinković, Aleksandar and Milenković, Dragan D.",
year = "2010",
abstract = "A novel synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate and primary and secondary amines, using three oxidizing systems, has been developed on the laboratory scale, and the method using sodium hypochlorite has been applied on a semi-industrial scale. The effect of the oxidizing agents, sodium hypochlorite, in-situ-generated peracetic acid, and the manganese(II) acetate/oxygen system on product purity and yield was studied. The results obtained by use of these three methods were compared with those obtained by reaction of sodium ethyl xanthogenacetate and amines, and of sodium ethyl xanthate with amines in the presence of sulfated nickel zeolite catalyst. The reaction mechanism of sodium hypochlorite oxidation has been established on the basis of isolation of reaction intermediates and determination of their structure by use of Fourier-transform infrared, (1)H and (13)C NMR, and mass spectrometric methods. The suggested sodium hypochlorite and manganese(II) acetate/oxygen systems have many advantages in comparison with commercial and catalytically promoted synthetic methods, because they are new ecologically friendly syntheses.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "A synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate using different oxidants",
pages = "755-749",
number = "7",
volume = "141",
doi = "10.1007/s00706-010-0328-y"
}
Milosavljević, M. M., Sovrlić, M., Marinković, A.,& Milenković, D. D.. (2010). A synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate using different oxidants. in Monatshefte Fur Chemie
Springer Wien, Wien., 141(7), 749-755.
https://doi.org/10.1007/s00706-010-0328-y
Milosavljević MM, Sovrlić M, Marinković A, Milenković DD. A synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate using different oxidants. in Monatshefte Fur Chemie. 2010;141(7):749-755.
doi:10.1007/s00706-010-0328-y .
Milosavljević, Milutin M., Sovrlić, Milica, Marinković, Aleksandar, Milenković, Dragan D., "A synthesis of N-alkyl and N,N-dialkyl O-ethyl thiocarbamates from diethyl dixanthogenate using different oxidants" in Monatshefte Fur Chemie, 141, no. 7 (2010):749-755,
https://doi.org/10.1007/s00706-010-0328-y . .
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EI/MS/MS spectra of N-monosubstituted cyanoacetamides

Ilić, Nataša; Marinković, Aleksandar; Mijin, Dušan; Nevešćanin, Marina; Petrović, Slobodan

(Association of the Chemical Engineers of Serbia, 2010)

TY  - JOUR
AU  - Ilić, Nataša
AU  - Marinković, Aleksandar
AU  - Mijin, Dušan
AU  - Nevešćanin, Marina
AU  - Petrović, Slobodan
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1662
AB  - The electron-ionization induced mass spectra of twenty six N-monosubstituted cyanoacetamides were recorded and their fragmentation patterns were studied. The effect of N-alkyl and N-aryl substituents to the fragmentation of the investigated compounds was discussed. Mechanistic generalization lead to a conclusion that fission of the carbon-carbon bonds next to carbonyl function or nitrogen were processes common for N-alkyl and N-(4-substituted phenyl) cyanoacetamides. In some amides, the elimination of the acyl group by a ketene fragment gave rise to the more stable ion. Cycloalkyl amides could not fragment by single carbon-carbon bond fission, but subsequent rearrangement resulted in formation of stable even electron ion. N-(4-substituted phenyl) cyanoacetamides were more stable showing also characteristic fragmentation depending on substituent present at phenyl ring.
AB  - U ovom radu su proučavani fragmentacioni putevi dvadeset šest N-monosupstituisanih cijanoacetamida dobijenih jonizacijom izazvanom bombardovanjem elektronima. Na osnovu definisanih fragmentacionih puteva diskutovan je uticaj prisutnih N-alkil i N-aril supstituenata. Sagledavanjem mehanizama fragmentacija ispitivanih N-monosupstituisanih cijanoacetamida uočava se da je cepanje veze ugljenik-ugljenik susedne karbonilnoj grupi ili azotu proces uočen i kod N-alkil i N-(4-supstituisanih fenil) cijanoacetamida. Kod nekih amida, eliminacija acil grupe u vidu fragmenta ketena dovodi do nastajanju stabilnijih jona. Cikloalkil amidi ne mogu da se fragmentišu samo cepanjem veze ugljenik-ugljenik, već u narednom koraku pregradnje daju stabilnije parne jone. N-(4-supstituisani fenil) cijanoacetamidi se stabilni u primenjenim jonizacionim uslovima i pokazuju karakteristične fragmentcije na koje utiče prisutni supstituent na fenilnom jezgru.
PB  - Association of the Chemical Engineers of Serbia
T2  - Chemical Industry & Chemical Engineering Quarterly
T1  - EI/MS/MS spectra of N-monosubstituted cyanoacetamides
T1  - EI/MS/MS spektri N-monosupstituisanih cijanoacetamida
EP  - 397
IS  - 4
SP  - 387
VL  - 16
DO  - 10.2298/CICEQ100421042I
ER  - 
@article{
author = "Ilić, Nataša and Marinković, Aleksandar and Mijin, Dušan and Nevešćanin, Marina and Petrović, Slobodan",
year = "2010",
abstract = "The electron-ionization induced mass spectra of twenty six N-monosubstituted cyanoacetamides were recorded and their fragmentation patterns were studied. The effect of N-alkyl and N-aryl substituents to the fragmentation of the investigated compounds was discussed. Mechanistic generalization lead to a conclusion that fission of the carbon-carbon bonds next to carbonyl function or nitrogen were processes common for N-alkyl and N-(4-substituted phenyl) cyanoacetamides. In some amides, the elimination of the acyl group by a ketene fragment gave rise to the more stable ion. Cycloalkyl amides could not fragment by single carbon-carbon bond fission, but subsequent rearrangement resulted in formation of stable even electron ion. N-(4-substituted phenyl) cyanoacetamides were more stable showing also characteristic fragmentation depending on substituent present at phenyl ring., U ovom radu su proučavani fragmentacioni putevi dvadeset šest N-monosupstituisanih cijanoacetamida dobijenih jonizacijom izazvanom bombardovanjem elektronima. Na osnovu definisanih fragmentacionih puteva diskutovan je uticaj prisutnih N-alkil i N-aril supstituenata. Sagledavanjem mehanizama fragmentacija ispitivanih N-monosupstituisanih cijanoacetamida uočava se da je cepanje veze ugljenik-ugljenik susedne karbonilnoj grupi ili azotu proces uočen i kod N-alkil i N-(4-supstituisanih fenil) cijanoacetamida. Kod nekih amida, eliminacija acil grupe u vidu fragmenta ketena dovodi do nastajanju stabilnijih jona. Cikloalkil amidi ne mogu da se fragmentišu samo cepanjem veze ugljenik-ugljenik, već u narednom koraku pregradnje daju stabilnije parne jone. N-(4-supstituisani fenil) cijanoacetamidi se stabilni u primenjenim jonizacionim uslovima i pokazuju karakteristične fragmentcije na koje utiče prisutni supstituent na fenilnom jezgru.",
publisher = "Association of the Chemical Engineers of Serbia",
journal = "Chemical Industry & Chemical Engineering Quarterly",
title = "EI/MS/MS spectra of N-monosubstituted cyanoacetamides, EI/MS/MS spektri N-monosupstituisanih cijanoacetamida",
pages = "397-387",
number = "4",
volume = "16",
doi = "10.2298/CICEQ100421042I"
}
Ilić, N., Marinković, A., Mijin, D., Nevešćanin, M.,& Petrović, S.. (2010). EI/MS/MS spectra of N-monosubstituted cyanoacetamides. in Chemical Industry & Chemical Engineering Quarterly
Association of the Chemical Engineers of Serbia., 16(4), 387-397.
https://doi.org/10.2298/CICEQ100421042I
Ilić N, Marinković A, Mijin D, Nevešćanin M, Petrović S. EI/MS/MS spectra of N-monosubstituted cyanoacetamides. in Chemical Industry & Chemical Engineering Quarterly. 2010;16(4):387-397.
doi:10.2298/CICEQ100421042I .
Ilić, Nataša, Marinković, Aleksandar, Mijin, Dušan, Nevešćanin, Marina, Petrović, Slobodan, "EI/MS/MS spectra of N-monosubstituted cyanoacetamides" in Chemical Industry & Chemical Engineering Quarterly, 16, no. 4 (2010):387-397,
https://doi.org/10.2298/CICEQ100421042I . .
2
1
2

Synthesis, structure and solvatochromic properties of 3-cyano-4,6-diphenyl-5-(3- and 4-substituted phenylazo)-2-pyridones

Alimmari, Adel S.; Marinković, Aleksandar; Mijin, Dušan; Valentić, Nataša; Todorović, Nina; Ušćumlić, Gordana

(Serbian Chemical Society, Belgrade, 2010)

TY  - JOUR
AU  - Alimmari, Adel S.
AU  - Marinković, Aleksandar
AU  - Mijin, Dušan
AU  - Valentić, Nataša
AU  - Todorović, Nina
AU  - Ušćumlić, Gordana
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1598
AB  - A series of some new pyridone arylazo dyes was synthesized from the corresponding diazonium salts and 3-cyano-4,6-diphenyl-2-pyridone using the classical reaction for the synthesis of the azo compounds. The structures of these dyes were confirmed by UV-Vis, FT-IR and 1H-NMR spectroscopic techniques. The solvatochromism of the dyes was evaluated with respect to visible absorption properties in various solvents. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship concept proposed by Kamlet and Taft. The 2-pyridone/2-hydroxypiridine tautomeric equilibration was found to depend on the substituents as well as on the solvents.
AB  - Serija novih piridonskih arilazo boja je sintetisana reakcijom odgovarajućih diazonijum soli i 3-cijano-4,6-difenil-2-piridona primenom klasične sinteze azo jedinjenja. Struktura sintetisanih boja je potvrđena na osnovu podataka dobijenih iz UV, FT-IR i 1H-NMR spektara. Solvatohromna svojstva boja su procenjena u odnosu na njihovu apsorpciju u vidljivom delu spektra u različitim rastvračima. Efekti rastvarača, dipolarnost/polarizabilnost i vodonične interakcije rastvarač/rastvorak, su analizirane primenom linearne korelacije solvatohromnih efekata predložene od strane Kamlet-a i Taft-a. Tautomerna ravnoteža 2-piridon/2-hidroksipiridin zavisi kako od efekata supstituenta tako i od uticaja rastvarača.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, structure and solvatochromic properties of 3-cyano-4,6-diphenyl-5-(3- and 4-substituted phenylazo)-2-pyridones
T1  - Sinteza, struktura i solvatohromna svojstva 3-cijano-4,6-difenil-5-(3- i 4-supstituisanih fenilazo)-2-piridona
EP  - 1032
IS  - 8
SP  - 1019
VL  - 75
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1598
ER  - 
@article{
author = "Alimmari, Adel S. and Marinković, Aleksandar and Mijin, Dušan and Valentić, Nataša and Todorović, Nina and Ušćumlić, Gordana",
year = "2010",
abstract = "A series of some new pyridone arylazo dyes was synthesized from the corresponding diazonium salts and 3-cyano-4,6-diphenyl-2-pyridone using the classical reaction for the synthesis of the azo compounds. The structures of these dyes were confirmed by UV-Vis, FT-IR and 1H-NMR spectroscopic techniques. The solvatochromism of the dyes was evaluated with respect to visible absorption properties in various solvents. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship concept proposed by Kamlet and Taft. The 2-pyridone/2-hydroxypiridine tautomeric equilibration was found to depend on the substituents as well as on the solvents., Serija novih piridonskih arilazo boja je sintetisana reakcijom odgovarajućih diazonijum soli i 3-cijano-4,6-difenil-2-piridona primenom klasične sinteze azo jedinjenja. Struktura sintetisanih boja je potvrđena na osnovu podataka dobijenih iz UV, FT-IR i 1H-NMR spektara. Solvatohromna svojstva boja su procenjena u odnosu na njihovu apsorpciju u vidljivom delu spektra u različitim rastvračima. Efekti rastvarača, dipolarnost/polarizabilnost i vodonične interakcije rastvarač/rastvorak, su analizirane primenom linearne korelacije solvatohromnih efekata predložene od strane Kamlet-a i Taft-a. Tautomerna ravnoteža 2-piridon/2-hidroksipiridin zavisi kako od efekata supstituenta tako i od uticaja rastvarača.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, structure and solvatochromic properties of 3-cyano-4,6-diphenyl-5-(3- and 4-substituted phenylazo)-2-pyridones, Sinteza, struktura i solvatohromna svojstva 3-cijano-4,6-difenil-5-(3- i 4-supstituisanih fenilazo)-2-piridona",
pages = "1032-1019",
number = "8",
volume = "75",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1598"
}
Alimmari, A. S., Marinković, A., Mijin, D., Valentić, N., Todorović, N.,& Ušćumlić, G.. (2010). Synthesis, structure and solvatochromic properties of 3-cyano-4,6-diphenyl-5-(3- and 4-substituted phenylazo)-2-pyridones. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 75(8), 1019-1032.
https://hdl.handle.net/21.15107/rcub_technorep_1598
Alimmari AS, Marinković A, Mijin D, Valentić N, Todorović N, Ušćumlić G. Synthesis, structure and solvatochromic properties of 3-cyano-4,6-diphenyl-5-(3- and 4-substituted phenylazo)-2-pyridones. in Journal of the Serbian Chemical Society. 2010;75(8):1019-1032.
https://hdl.handle.net/21.15107/rcub_technorep_1598 .
Alimmari, Adel S., Marinković, Aleksandar, Mijin, Dušan, Valentić, Nataša, Todorović, Nina, Ušćumlić, Gordana, "Synthesis, structure and solvatochromic properties of 3-cyano-4,6-diphenyl-5-(3- and 4-substituted phenylazo)-2-pyridones" in Journal of the Serbian Chemical Society, 75, no. 8 (2010):1019-1032,
https://hdl.handle.net/21.15107/rcub_technorep_1598 .
9
11

A Kinetic Study of Candida rugosa Lipase-Catalyzed Synthesis of 4,6-Dimethyl-3-cyano-2-pyridone

Prlainović, Nevena; Bezbradica, Dejan; Knežević-Jugović, Zorica; Kozlowska, Roksana T.; Mijin, Dušan

(Sociedade Brasileira de Química, 2010)

TY  - JOUR
AU  - Prlainović, Nevena
AU  - Bezbradica, Dejan
AU  - Knežević-Jugović, Zorica
AU  - Kozlowska, Roksana T.
AU  - Mijin, Dušan
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1563
AB  - The synthesis of 4,6-dimethyl-3-cyano-2-pyridone was studied in a reaction catalyzed with Candida rugosa lipase. A response surface methodology (RSM) was applied for the optimization of the experimental conditions. The study showed that temperature and molar ratio cyanoacetamide/acetylacetone have a great influence on the yield of the reaction; the maximum yield was achieved at 44 degrees C with a molar ratio cyanoacetamide/acetylacetone of 36. The kinetics of the enzymatic synthesis of 4,6-dimethyl-3-cyano-2-pyridone was investigated, and it was determined that a ping-pong bi-ter mechanism with cyanoacetamide inhibition fits the obtained results. The mechanism of lipase-catalyzed reaction was proposed.
PB  - Sociedade Brasileira de Química
T2  - Journal of the Brazilian Chemical Society
T1  - A Kinetic Study of Candida rugosa Lipase-Catalyzed Synthesis of 4,6-Dimethyl-3-cyano-2-pyridone
EP  - 2293
IS  - 12
SP  - 2285
VL  - 21
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1563
ER  - 
@article{
author = "Prlainović, Nevena and Bezbradica, Dejan and Knežević-Jugović, Zorica and Kozlowska, Roksana T. and Mijin, Dušan",
year = "2010",
abstract = "The synthesis of 4,6-dimethyl-3-cyano-2-pyridone was studied in a reaction catalyzed with Candida rugosa lipase. A response surface methodology (RSM) was applied for the optimization of the experimental conditions. The study showed that temperature and molar ratio cyanoacetamide/acetylacetone have a great influence on the yield of the reaction; the maximum yield was achieved at 44 degrees C with a molar ratio cyanoacetamide/acetylacetone of 36. The kinetics of the enzymatic synthesis of 4,6-dimethyl-3-cyano-2-pyridone was investigated, and it was determined that a ping-pong bi-ter mechanism with cyanoacetamide inhibition fits the obtained results. The mechanism of lipase-catalyzed reaction was proposed.",
publisher = "Sociedade Brasileira de Química",
journal = "Journal of the Brazilian Chemical Society",
title = "A Kinetic Study of Candida rugosa Lipase-Catalyzed Synthesis of 4,6-Dimethyl-3-cyano-2-pyridone",
pages = "2293-2285",
number = "12",
volume = "21",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1563"
}
Prlainović, N., Bezbradica, D., Knežević-Jugović, Z., Kozlowska, R. T.,& Mijin, D.. (2010). A Kinetic Study of Candida rugosa Lipase-Catalyzed Synthesis of 4,6-Dimethyl-3-cyano-2-pyridone. in Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química., 21(12), 2285-2293.
https://hdl.handle.net/21.15107/rcub_technorep_1563
Prlainović N, Bezbradica D, Knežević-Jugović Z, Kozlowska RT, Mijin D. A Kinetic Study of Candida rugosa Lipase-Catalyzed Synthesis of 4,6-Dimethyl-3-cyano-2-pyridone. in Journal of the Brazilian Chemical Society. 2010;21(12):2285-2293.
https://hdl.handle.net/21.15107/rcub_technorep_1563 .
Prlainović, Nevena, Bezbradica, Dejan, Knežević-Jugović, Zorica, Kozlowska, Roksana T., Mijin, Dušan, "A Kinetic Study of Candida rugosa Lipase-Catalyzed Synthesis of 4,6-Dimethyl-3-cyano-2-pyridone" in Journal of the Brazilian Chemical Society, 21, no. 12 (2010):2285-2293,
https://hdl.handle.net/21.15107/rcub_technorep_1563 .
6
7

Photochemical Behavior of the Insecticide Methomyl Under Different Conditions

Tomašević, Anđelka; Mijin, Dušan; Kiss, Erno

(Taylor & Francis Inc, Philadelphia, 2010)

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Kiss, Erno
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1641
AB  - This article describes the photolytic and photocatalytic removal of the insecticide methomyl at low concentration from different types of water, upon UV, visible or natural solar light radiation, in the presence of TiO2 and ZnO, as well as using Fe-ZSM-5 zeolite and AlFe-pillared montmorillonite (photo-Fenton process). The rate of photodecomposition of methomyl was measured using UV spectrometry and HPLC, while its mineralization was investigated by ion chromatography (IC) and total organic carbon (TOC) analysis. The photochemical removal of methomyl is a natural and applicable model for the purification of water.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Separation Science and Technology
T1  - Photochemical Behavior of the Insecticide Methomyl Under Different Conditions
EP  - 1627
IS  - 11
SP  - 1617
VL  - 45
DO  - 10.1080/01496395.2010.487720
ER  - 
@article{
author = "Tomašević, Anđelka and Mijin, Dušan and Kiss, Erno",
year = "2010",
abstract = "This article describes the photolytic and photocatalytic removal of the insecticide methomyl at low concentration from different types of water, upon UV, visible or natural solar light radiation, in the presence of TiO2 and ZnO, as well as using Fe-ZSM-5 zeolite and AlFe-pillared montmorillonite (photo-Fenton process). The rate of photodecomposition of methomyl was measured using UV spectrometry and HPLC, while its mineralization was investigated by ion chromatography (IC) and total organic carbon (TOC) analysis. The photochemical removal of methomyl is a natural and applicable model for the purification of water.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Separation Science and Technology",
title = "Photochemical Behavior of the Insecticide Methomyl Under Different Conditions",
pages = "1627-1617",
number = "11",
volume = "45",
doi = "10.1080/01496395.2010.487720"
}
Tomašević, A., Mijin, D.,& Kiss, E.. (2010). Photochemical Behavior of the Insecticide Methomyl Under Different Conditions. in Separation Science and Technology
Taylor & Francis Inc, Philadelphia., 45(11), 1617-1627.
https://doi.org/10.1080/01496395.2010.487720
Tomašević A, Mijin D, Kiss E. Photochemical Behavior of the Insecticide Methomyl Under Different Conditions. in Separation Science and Technology. 2010;45(11):1617-1627.
doi:10.1080/01496395.2010.487720 .
Tomašević, Anđelka, Mijin, Dušan, Kiss, Erno, "Photochemical Behavior of the Insecticide Methomyl Under Different Conditions" in Separation Science and Technology, 45, no. 11 (2010):1617-1627,
https://doi.org/10.1080/01496395.2010.487720 . .
25
18
28

A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents

Nikolić, Jasmina; Ušćumlić, Gordana; Juranić, Ivan

(Wiley-Blackwell, Malden, 2010)

TY  - JOUR
AU  - Nikolić, Jasmina
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1618
AB  - The reactivities of 2-(4-substituted phenyl)-cyclohex-1-enecarboxylic acids, 2-(4-substituted phenyl)-benzoic acids, and 2-(4-substituted phenyl)-acrylic acids with diazodiphenylmethane in various solvents were investigated. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The signs of the equation coefficients support the proposed reaction mechanism. The solvation models for all investigated carboxylic acids are suggested. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of geometry on the reactivity of the examined molecules.
PB  - Wiley-Blackwell, Malden
T2  - International Journal of Chemical Kinetics
T1  - A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents
EP  - 439
IS  - 7
SP  - 430
VL  - 42
DO  - 10.1002/kin.20497
ER  - 
@article{
author = "Nikolić, Jasmina and Ušćumlić, Gordana and Juranić, Ivan",
year = "2010",
abstract = "The reactivities of 2-(4-substituted phenyl)-cyclohex-1-enecarboxylic acids, 2-(4-substituted phenyl)-benzoic acids, and 2-(4-substituted phenyl)-acrylic acids with diazodiphenylmethane in various solvents were investigated. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The signs of the equation coefficients support the proposed reaction mechanism. The solvation models for all investigated carboxylic acids are suggested. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of geometry on the reactivity of the examined molecules.",
publisher = "Wiley-Blackwell, Malden",
journal = "International Journal of Chemical Kinetics",
title = "A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents",
pages = "439-430",
number = "7",
volume = "42",
doi = "10.1002/kin.20497"
}
Nikolić, J., Ušćumlić, G.,& Juranić, I.. (2010). A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics
Wiley-Blackwell, Malden., 42(7), 430-439.
https://doi.org/10.1002/kin.20497
Nikolić J, Ušćumlić G, Juranić I. A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics. 2010;42(7):430-439.
doi:10.1002/kin.20497 .
Nikolić, Jasmina, Ušćumlić, Gordana, Juranić, Ivan, "A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents" in International Journal of Chemical Kinetics, 42, no. 7 (2010):430-439,
https://doi.org/10.1002/kin.20497 . .
5
1
5

Study on the photocatalytic degradation of insecticide methomyl in water

Tomašević, Anđelka; Kiss, Erno; Petrović, Slobodan; Mijin, Dušan

(Elsevier Science Bv, Amsterdam, 2010)

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Kiss, Erno
AU  - Petrović, Slobodan
AU  - Mijin, Dušan
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1616
AB  - Photo-Fenton degradation of the insecticide methomyl in water using Fe-ZSM-5 zeolite and AlFe-pillared montmorillonite catalysts under halogen lamp light was studied. The study was performed at room temperature in a glass batch reactor under constant airflow. Both catalysts exhibited activity in the wet oxidative degradation of methomyl. The rate of photodecomposition of methomyl was measured using UV spectrometry and HPLC, while its mineralization was followed using ion chromatography (IC) and total organic carbon (TOC) analyzer. IC results showed that mineralization led to formation of sulfate, nitrate and ammonium ions during the process. Under our conditions, complete disappearance of 16.22 mg/L of pure pesticide and 100% or 80% TOC removal occurred within 4 h using 5 g/L or 1 g/L of Fe-ZSM-5 zeolite, respectively. The Fe-ZSM-5 was found to be a better catalyst. Pseudo-first-order rate constants were calculated, and the performed treatments compared.
PB  - Elsevier Science Bv, Amsterdam
T2  - Desalination
T1  - Study on the photocatalytic degradation of insecticide methomyl in water
EP  - 234
IS  - 1-3
SP  - 228
VL  - 262
DO  - 10.1016/j.desal.2010.06.019
ER  - 
@article{
author = "Tomašević, Anđelka and Kiss, Erno and Petrović, Slobodan and Mijin, Dušan",
year = "2010",
abstract = "Photo-Fenton degradation of the insecticide methomyl in water using Fe-ZSM-5 zeolite and AlFe-pillared montmorillonite catalysts under halogen lamp light was studied. The study was performed at room temperature in a glass batch reactor under constant airflow. Both catalysts exhibited activity in the wet oxidative degradation of methomyl. The rate of photodecomposition of methomyl was measured using UV spectrometry and HPLC, while its mineralization was followed using ion chromatography (IC) and total organic carbon (TOC) analyzer. IC results showed that mineralization led to formation of sulfate, nitrate and ammonium ions during the process. Under our conditions, complete disappearance of 16.22 mg/L of pure pesticide and 100% or 80% TOC removal occurred within 4 h using 5 g/L or 1 g/L of Fe-ZSM-5 zeolite, respectively. The Fe-ZSM-5 was found to be a better catalyst. Pseudo-first-order rate constants were calculated, and the performed treatments compared.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Desalination",
title = "Study on the photocatalytic degradation of insecticide methomyl in water",
pages = "234-228",
number = "1-3",
volume = "262",
doi = "10.1016/j.desal.2010.06.019"
}
Tomašević, A., Kiss, E., Petrović, S.,& Mijin, D.. (2010). Study on the photocatalytic degradation of insecticide methomyl in water. in Desalination
Elsevier Science Bv, Amsterdam., 262(1-3), 228-234.
https://doi.org/10.1016/j.desal.2010.06.019
Tomašević A, Kiss E, Petrović S, Mijin D. Study on the photocatalytic degradation of insecticide methomyl in water. in Desalination. 2010;262(1-3):228-234.
doi:10.1016/j.desal.2010.06.019 .
Tomašević, Anđelka, Kiss, Erno, Petrović, Slobodan, Mijin, Dušan, "Study on the photocatalytic degradation of insecticide methomyl in water" in Desalination, 262, no. 1-3 (2010):228-234,
https://doi.org/10.1016/j.desal.2010.06.019 . .
60
38
59

Voltammetric and differential pulse determination of roxithromycin

Drljević-Đurić, Katica; Jović, Vladimir D.; Lačnjevac, Uroš; Avramov-Ivić, Milka; Petrović, Slobodan; Mijin, Dušan; Đorđević, S. B.

(Pergamon-Elsevier Science Ltd, Oxford, 2010)

TY  - JOUR
AU  - Drljević-Đurić, Katica
AU  - Jović, Vladimir D.
AU  - Lačnjevac, Uroš
AU  - Avramov-Ivić, Milka
AU  - Petrović, Slobodan
AU  - Mijin, Dušan
AU  - Đorđević, S. B.
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1718
AB  - The oxidative behavior of antibiotic roxithromycin standard was studied at a gold electrode in 0.05 M NaHCO3 using cyclic linear sweep voltammetry and differential pulse voltammetry. It was found that the value of the oxidative peak of pure roxithromycin at 0.81 V vs. SCE in 0.05 M NaHCO3 at a scan rate of 50 mV s(-1) is a linear function of the concentration in a range 0.10006-0.654 mg cm(-3). It was also found that peak current density at 0.75 V vs. SCE at a scan rate of 2 mVs(-1), pulse amplitude of 25 mV and pulse time of 0.1 s exhibits linear dependence on the concentration of roxithromycin from 0.1006 to 0.476 mg cm(-3). Roxithromycin as a content of solid dosage form and urine was quantitatively determined and the obtained results were checked by HPLC.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Electrochimica Acta
T1  - Voltammetric and differential pulse determination of roxithromycin
EP  - 52
IS  - 1
SP  - 47
VL  - 56
DO  - 10.1016/j.electacta.2010.09.067
ER  - 
@article{
author = "Drljević-Đurić, Katica and Jović, Vladimir D. and Lačnjevac, Uroš and Avramov-Ivić, Milka and Petrović, Slobodan and Mijin, Dušan and Đorđević, S. B.",
year = "2010",
abstract = "The oxidative behavior of antibiotic roxithromycin standard was studied at a gold electrode in 0.05 M NaHCO3 using cyclic linear sweep voltammetry and differential pulse voltammetry. It was found that the value of the oxidative peak of pure roxithromycin at 0.81 V vs. SCE in 0.05 M NaHCO3 at a scan rate of 50 mV s(-1) is a linear function of the concentration in a range 0.10006-0.654 mg cm(-3). It was also found that peak current density at 0.75 V vs. SCE at a scan rate of 2 mVs(-1), pulse amplitude of 25 mV and pulse time of 0.1 s exhibits linear dependence on the concentration of roxithromycin from 0.1006 to 0.476 mg cm(-3). Roxithromycin as a content of solid dosage form and urine was quantitatively determined and the obtained results were checked by HPLC.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Electrochimica Acta",
title = "Voltammetric and differential pulse determination of roxithromycin",
pages = "52-47",
number = "1",
volume = "56",
doi = "10.1016/j.electacta.2010.09.067"
}
Drljević-Đurić, K., Jović, V. D., Lačnjevac, U., Avramov-Ivić, M., Petrović, S., Mijin, D.,& Đorđević, S. B.. (2010). Voltammetric and differential pulse determination of roxithromycin. in Electrochimica Acta
Pergamon-Elsevier Science Ltd, Oxford., 56(1), 47-52.
https://doi.org/10.1016/j.electacta.2010.09.067
Drljević-Đurić K, Jović VD, Lačnjevac U, Avramov-Ivić M, Petrović S, Mijin D, Đorđević SB. Voltammetric and differential pulse determination of roxithromycin. in Electrochimica Acta. 2010;56(1):47-52.
doi:10.1016/j.electacta.2010.09.067 .
Drljević-Đurić, Katica, Jović, Vladimir D., Lačnjevac, Uroš, Avramov-Ivić, Milka, Petrović, Slobodan, Mijin, Dušan, Đorđević, S. B., "Voltammetric and differential pulse determination of roxithromycin" in Electrochimica Acta, 56, no. 1 (2010):47-52,
https://doi.org/10.1016/j.electacta.2010.09.067 . .
25
27
27

A study of the photocatalytic degradation of metamitron in ZnO water suspensions

Mijin, Dušan; Mihajlović, Marina; Perović, Snežana; Smijanić, Ana; Glavaski, Olivera; Jovanović, Mica; Petrović, Slobodan

(Elsevier, Amsterdam, 2009)

TY  - JOUR
AU  - Mijin, Dušan
AU  - Mihajlović, Marina
AU  - Perović, Snežana
AU  - Smijanić, Ana
AU  - Glavaski, Olivera
AU  - Jovanović, Mica
AU  - Petrović, Slobodan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1468
AB  - The photocatalytic degradation of the herbicide metamitron in water using ZnO under Osram ULTRA-VITALUX (R) lamp light was studied. The effect of the operational parameters such as initial concentration of catalyst, initial metamitron concentration, initial salt concentration (NaCl, Na2CO3 and Na2SO4) and pH was studied. The optimal concentration of catalyst was found to be 2.0 g/l. First-order rate constants were calculated for the uncatalysed reactions. On the base of the Langmuir-Hinshelwood mechanism, a pseudo first-order kinetic model was illustrated and the adsorption equilibrium constant and the rate constant of the surface reaction were calculated (0.119 l mg(-1) and 0.836 mg l(-1) min(-1), respectively). The photodegradation rate was higher in acidic than in alkaline conditions. When salt effect was studied, it was found that sodium carbonate was the most powerful inhibitor used, while sodium chloride was the weakest one. A negligible inhibition was observed when the concentration of sodium chloride was 20 mM. The rate of photodecomposition of metamitron was measured using UV spectroscopy and HPLC, while its mineralization was followed using ion chromatography (IC), as well as total organic carbon (TOC) and total nitrogen (TN) analysis. Under the employed conditions, almost complete disappearance of 9 mg/ml of herbicide, 56% TOC and 34% TN removal, occurred within 4 h. The ion chromatography results showed that the mineralization led to ammonium, nitrite and nitrate ions during the process.
PB  - Elsevier, Amsterdam
T2  - Desalination
T1  - A study of the photocatalytic degradation of metamitron in ZnO water suspensions
EP  - 292
IS  - 1
SP  - 286
VL  - 249
DO  - 10.1016/j.desal.2008.10.030
ER  - 
@article{
author = "Mijin, Dušan and Mihajlović, Marina and Perović, Snežana and Smijanić, Ana and Glavaski, Olivera and Jovanović, Mica and Petrović, Slobodan",
year = "2009",
abstract = "The photocatalytic degradation of the herbicide metamitron in water using ZnO under Osram ULTRA-VITALUX (R) lamp light was studied. The effect of the operational parameters such as initial concentration of catalyst, initial metamitron concentration, initial salt concentration (NaCl, Na2CO3 and Na2SO4) and pH was studied. The optimal concentration of catalyst was found to be 2.0 g/l. First-order rate constants were calculated for the uncatalysed reactions. On the base of the Langmuir-Hinshelwood mechanism, a pseudo first-order kinetic model was illustrated and the adsorption equilibrium constant and the rate constant of the surface reaction were calculated (0.119 l mg(-1) and 0.836 mg l(-1) min(-1), respectively). The photodegradation rate was higher in acidic than in alkaline conditions. When salt effect was studied, it was found that sodium carbonate was the most powerful inhibitor used, while sodium chloride was the weakest one. A negligible inhibition was observed when the concentration of sodium chloride was 20 mM. The rate of photodecomposition of metamitron was measured using UV spectroscopy and HPLC, while its mineralization was followed using ion chromatography (IC), as well as total organic carbon (TOC) and total nitrogen (TN) analysis. Under the employed conditions, almost complete disappearance of 9 mg/ml of herbicide, 56% TOC and 34% TN removal, occurred within 4 h. The ion chromatography results showed that the mineralization led to ammonium, nitrite and nitrate ions during the process.",
publisher = "Elsevier, Amsterdam",
journal = "Desalination",
title = "A study of the photocatalytic degradation of metamitron in ZnO water suspensions",
pages = "292-286",
number = "1",
volume = "249",
doi = "10.1016/j.desal.2008.10.030"
}
Mijin, D., Mihajlović, M., Perović, S., Smijanić, A., Glavaski, O., Jovanović, M.,& Petrović, S.. (2009). A study of the photocatalytic degradation of metamitron in ZnO water suspensions. in Desalination
Elsevier, Amsterdam., 249(1), 286-292.
https://doi.org/10.1016/j.desal.2008.10.030
Mijin D, Mihajlović M, Perović S, Smijanić A, Glavaski O, Jovanović M, Petrović S. A study of the photocatalytic degradation of metamitron in ZnO water suspensions. in Desalination. 2009;249(1):286-292.
doi:10.1016/j.desal.2008.10.030 .
Mijin, Dušan, Mihajlović, Marina, Perović, Snežana, Smijanić, Ana, Glavaski, Olivera, Jovanović, Mica, Petrović, Slobodan, "A study of the photocatalytic degradation of metamitron in ZnO water suspensions" in Desalination, 249, no. 1 (2009):286-292,
https://doi.org/10.1016/j.desal.2008.10.030 . .
82
72
90

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

Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins

Divjak, Natalija D.; Banjac, Nebojša; Valentić, Nataša; Ušćumlić, Gordana

(Serbian Chemical Society, Belgrade, 2009)

TY  - JOUR
AU  - Divjak, Natalija D.
AU  - Banjac, Nebojša
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1388
AB  - Several 5-methyl-5-(3- or 4-substituted phenyl)hydantoins were prepared and their ultraviolet absorption spectra were recorded in the region 200-400 nm in twelve solvents of different polarity. The effect of solvent dipolarity/ polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of log P values with Advanced Chemistry Development Software. The calculated values of log P were correlated with the contribution of hydrogen bond donor-solvent interactions. By employing the thus obtained linear dependence, the pharmacological activity of the studied hydantoin derivatives is discussed.
AB  - U okviru proučavanja uticaja strukture na farmakološku aktivnost hidantoina, u ovom radu sintetizovano je četrnaest jedinjenja i određeni su njihovi UV apsorpcioni maksimumi u dvanaest rastvarača različite polarnosti. Apsorpcioni maksimumi su korelisani Kamlet-Taftovom (Kamlet-Taft) solvatohromnom jednačinom i izvršena je kvantitativna procena proton-donorskih i proton-akceptorskih karakteristika proučavanih jedinjenja, koje su od velikog značaja za njihovu fiziološku aktivnost. Izračunate vrednosti log P korelisane su sa udelom proton-donorskih karakteristika rastvarača i na osnovu dobijenih linearnih zavisnosti za molekule sa umerenim elktron-donorskim i elektron-akceptorskim supstituentima, diskutovana je veza između farmakološke aktivnosti hidantoina i interakcija sa molekulima rastvarača.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins
T1  - Sinteza, struktura i solvatohromizam 5-metil-5-(3- ili 4-supstituisanih fenil)-hidantoina
EP  - 1205
IS  - 11
SP  - 1195
VL  - 74
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1388
ER  - 
@article{
author = "Divjak, Natalija D. and Banjac, Nebojša and Valentić, Nataša and Ušćumlić, Gordana",
year = "2009",
abstract = "Several 5-methyl-5-(3- or 4-substituted phenyl)hydantoins were prepared and their ultraviolet absorption spectra were recorded in the region 200-400 nm in twelve solvents of different polarity. The effect of solvent dipolarity/ polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of log P values with Advanced Chemistry Development Software. The calculated values of log P were correlated with the contribution of hydrogen bond donor-solvent interactions. By employing the thus obtained linear dependence, the pharmacological activity of the studied hydantoin derivatives is discussed., U okviru proučavanja uticaja strukture na farmakološku aktivnost hidantoina, u ovom radu sintetizovano je četrnaest jedinjenja i određeni su njihovi UV apsorpcioni maksimumi u dvanaest rastvarača različite polarnosti. Apsorpcioni maksimumi su korelisani Kamlet-Taftovom (Kamlet-Taft) solvatohromnom jednačinom i izvršena je kvantitativna procena proton-donorskih i proton-akceptorskih karakteristika proučavanih jedinjenja, koje su od velikog značaja za njihovu fiziološku aktivnost. Izračunate vrednosti log P korelisane su sa udelom proton-donorskih karakteristika rastvarača i na osnovu dobijenih linearnih zavisnosti za molekule sa umerenim elktron-donorskim i elektron-akceptorskim supstituentima, diskutovana je veza između farmakološke aktivnosti hidantoina i interakcija sa molekulima rastvarača.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins, Sinteza, struktura i solvatohromizam 5-metil-5-(3- ili 4-supstituisanih fenil)-hidantoina",
pages = "1205-1195",
number = "11",
volume = "74",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1388"
}
Divjak, N. D., Banjac, N., Valentić, N.,& Ušćumlić, G.. (2009). Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 74(11), 1195-1205.
https://hdl.handle.net/21.15107/rcub_technorep_1388
Divjak ND, Banjac N, Valentić N, Ušćumlić G. Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins. in Journal of the Serbian Chemical Society. 2009;74(11):1195-1205.
https://hdl.handle.net/21.15107/rcub_technorep_1388 .
Divjak, Natalija D., Banjac, Nebojša, Valentić, Nataša, Ušćumlić, Gordana, "Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins" in Journal of the Serbian Chemical Society, 74, no. 11 (2009):1195-1205,
https://hdl.handle.net/21.15107/rcub_technorep_1388 .
14
15

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

Ušćumlić, Gordana; Nikolić, Jasmina

(Serbian Chemical Society, Belgrade, 2009)

TY  - JOUR
AU  - Ušćumlić, Gordana
AU  - Nikolić, Jasmina
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1390
AB  - Solvent effects on the reactivity of cycloalkenecarboxylic, cycloalkeneacetic, 2-substituted cyclohex-1-enecarboxylic, 2-substituted benzoic, 2-substituted cyclohex-1-eneacetic, 2-substituted phenylacetic, 2-phenylcyclohex-1-enecarboxylic, 2-phenylbenzoic and 2-phenylacrylic 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 Kamlet-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 equation coefficients support the proposed mechanism. Solvation models for all the investigated acids are suggested. The quantitative relationship between the molecular structure and the chemical reactivity is also discussed.
AB  - Uticaj rastvarača na reaktivnost cikloalkenkarbonskih, cikloalkensirćetnih, 2-supstituisanih cikloheks-1-enkarbonskih, 2-supstituisanih cikloheks-1-ensirćetnih, 2-supstituisanih benzoevih, 2-supstituisanih fenilsirćetnih, 2-fenilcikloheks-1-enkarbonske, 2-fenilbenzoeve i 2-fenilakrilne kiseline sa diazodifenilmetanom je proučavan u nizu protičnih i aprotičnih rastvarača. Da bi se kinetički rezultati objasnili pomoću efekata rastvarača, dobijene konstante brzine reakcije drugog reda su korelisane pomoću Kamlet-Taftove solvatohromne jednačine. Korelacije kinetičkih podataka su izvršene pomoću metode višestruke linearne regresione analize, a efekti rastvarača su posebno analizirani u odnosu na osnovno i prelazno stanje. Aritmetički znaci ispred koeficijenata solvatohromnih parametara odgovaraju pretpostavljenom mehanizmu ispitivane reakcije. Predložen je solvatacioni model za sve proučavane kiseline, koji je pokazao da postoji kvantitativni odnos molekulske strukture i njihove reaktivnosti.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - The study of linear solvation energy relationship for the reactivity of carboxylic acids with diazodiphenylmethane in protic and aprotic solvents
T1  - Proučavanje reaktivnosti karboksilnih kiselina sa diazodifenilmetanom u aprotičnim i protičnim rastvaračima pomoću linearne korelacije solvatacionih energija
EP  - 1357
IS  - 12
SP  - 1335
VL  - 74
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1390
ER  - 
@article{
author = "Ušćumlić, Gordana and Nikolić, Jasmina",
year = "2009",
abstract = "Solvent effects on the reactivity of cycloalkenecarboxylic, cycloalkeneacetic, 2-substituted cyclohex-1-enecarboxylic, 2-substituted benzoic, 2-substituted cyclohex-1-eneacetic, 2-substituted phenylacetic, 2-phenylcyclohex-1-enecarboxylic, 2-phenylbenzoic and 2-phenylacrylic 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 Kamlet-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 equation coefficients support the proposed mechanism. Solvation models for all the investigated acids are suggested. The quantitative relationship between the molecular structure and the chemical reactivity is also discussed., Uticaj rastvarača na reaktivnost cikloalkenkarbonskih, cikloalkensirćetnih, 2-supstituisanih cikloheks-1-enkarbonskih, 2-supstituisanih cikloheks-1-ensirćetnih, 2-supstituisanih benzoevih, 2-supstituisanih fenilsirćetnih, 2-fenilcikloheks-1-enkarbonske, 2-fenilbenzoeve i 2-fenilakrilne kiseline sa diazodifenilmetanom je proučavan u nizu protičnih i aprotičnih rastvarača. Da bi se kinetički rezultati objasnili pomoću efekata rastvarača, dobijene konstante brzine reakcije drugog reda su korelisane pomoću Kamlet-Taftove solvatohromne jednačine. Korelacije kinetičkih podataka su izvršene pomoću metode višestruke linearne regresione analize, a efekti rastvarača su posebno analizirani u odnosu na osnovno i prelazno stanje. Aritmetički znaci ispred koeficijenata solvatohromnih parametara odgovaraju pretpostavljenom mehanizmu ispitivane reakcije. Predložen je solvatacioni model za sve proučavane kiseline, koji je pokazao da postoji kvantitativni odnos molekulske strukture i njihove reaktivnosti.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "The study of linear solvation energy relationship for the reactivity of carboxylic acids with diazodiphenylmethane in protic and aprotic solvents, Proučavanje reaktivnosti karboksilnih kiselina sa diazodifenilmetanom u aprotičnim i protičnim rastvaračima pomoću linearne korelacije solvatacionih energija",
pages = "1357-1335",
number = "12",
volume = "74",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1390"
}
Ušćumlić, G.,& Nikolić, J.. (2009). The study of linear solvation energy relationship for the reactivity of carboxylic acids with diazodiphenylmethane in protic and aprotic solvents. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 74(12), 1335-1357.
https://hdl.handle.net/21.15107/rcub_technorep_1390
Ušćumlić G, Nikolić J. The study of linear solvation energy relationship for the reactivity of carboxylic acids with diazodiphenylmethane in protic and aprotic solvents. in Journal of the Serbian Chemical Society. 2009;74(12):1335-1357.
https://hdl.handle.net/21.15107/rcub_technorep_1390 .
Ušćumlić, Gordana, Nikolić, Jasmina, "The study of linear solvation energy relationship for the reactivity of carboxylic acids with diazodiphenylmethane in protic and aprotic solvents" in Journal of the Serbian Chemical Society, 74, no. 12 (2009):1335-1357,
https://hdl.handle.net/21.15107/rcub_technorep_1390 .
11
16

A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents

Nikolić, Jasmina; Ušćumlić, Gordana; Juranić, Ivan

(Wiley, Hoboken, 2009)

TY  - JOUR
AU  - Nikolić, Jasmina
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1422
AB  - The rate constants for the reaction of 2-substituted cyclohex-1-eneacetic and 2-substituted phenylacetic acids with diazodiphenylmethane were determined in various aprotic solvents at 30 degrees C. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The opposite signs of the electrophilic and the nucleophilic parameters are in agreement with the well-known mechanism of the reaction of carboxylic acids with diazodiphenylmethane. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of the molecular geometry on the reactivity of the examined compounds.
PB  - Wiley, Hoboken
T2  - International Journal of Chemical Kinetics
T1  - A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents
EP  - 622
IS  - 10
SP  - 613
VL  - 41
DO  - 10.1002/kin.20437
ER  - 
@article{
author = "Nikolić, Jasmina and Ušćumlić, Gordana and Juranić, Ivan",
year = "2009",
abstract = "The rate constants for the reaction of 2-substituted cyclohex-1-eneacetic and 2-substituted phenylacetic acids with diazodiphenylmethane were determined in various aprotic solvents at 30 degrees C. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The opposite signs of the electrophilic and the nucleophilic parameters are in agreement with the well-known mechanism of the reaction of carboxylic acids with diazodiphenylmethane. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of the molecular geometry on the reactivity of the examined compounds.",
publisher = "Wiley, Hoboken",
journal = "International Journal of Chemical Kinetics",
title = "A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents",
pages = "622-613",
number = "10",
volume = "41",
doi = "10.1002/kin.20437"
}
Nikolić, J., Ušćumlić, G.,& Juranić, I.. (2009). A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics
Wiley, Hoboken., 41(10), 613-622.
https://doi.org/10.1002/kin.20437
Nikolić J, Ušćumlić G, Juranić I. A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics. 2009;41(10):613-622.
doi:10.1002/kin.20437 .
Nikolić, Jasmina, Ušćumlić, Gordana, Juranić, Ivan, "A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents" in International Journal of Chemical Kinetics, 41, no. 10 (2009):613-622,
https://doi.org/10.1002/kin.20437 . .
3
3
4

A study of the electrochemical behavior of methomyl on a gold electrode in a neutral electrolyte

Tomašević, Anđelka; Avramov-Ivić, Milka; Petrović, Slobodan; Jovanović, Mića B.; Mijin, Dušan

(Serbian Chemical Society, Belgrade, 2009)

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Avramov-Ivić, Milka
AU  - Petrović, Slobodan
AU  - Jovanović, Mića B.
AU  - Mijin, Dušan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1384
AB  - A gold electrode was used for the qualitative and quantitative electrochemical determination of analytical methomyl in a neutral electrolyte (0.050 M NaHCO3) using cyclic linear sweep voltammetry. In the potential range from -800 mV vs. SCE to 1000 mV vs. SCE the analytical methomyl was quantitatively determined in the concentration range 4.0-16 mg L-1. In the potential range from -1300 mV vs. SCE to 1300 mV vs. SCE, methomyl was qualitatively determined by two anodic and four cathodic reactions. Cycling the potential in this range for 150 min caused the degradation of the molecule, which was confirmed by HPLC analysis. On the other hand, technical methomyl exhibited an inhibition of the gold electrode surface due to the impurities.
AB  - U radu su dati rezultati ispitivanja elektrohemijskog ponašanja aktivnosti metomila (analitičkog i tehničkog proizvoda) na elektrodi od zlata u neutralnom elektrolitu (0,050 M NaHCO3). HPLC je korišćena za analizu elektrolita u toku elektrohemijske reakcije. Maksimalna vrednost visine strujnog vrha oksidacije čistog metomila na 600 mV prema ZKE u 0,050 M NaHCO3 na 50 mV s-1 je linearna funkcija njegove koncentracije u opsegu 4-16 mg L-1 što je omogućilo razvijanje metode za njegovo kvantitativno određiva- nje. Analitički metomil je kvalitativno određen detekcijom reproduktivne četiri anodne i jedne katodne reakcije u opsegu potencijala od -1300 do 1300 mV prema ZKE. Potencijal je cikliziran 150 min u navedenom opsegu i analiza anodnih i katodnih reakcija na početku, u toku i na kraju cikliziranja potencijala je ukazala na degradaciju molekula metomila. Tokom cikliziranja potencijala, HPLC analiza elektrolita je pokazala smanjenje koncentracija metomila kao posledicu njegove degradacije. Tehnički metomil nije pogodan za ispitivanje pod navedenim uslovima jer prisutne nečistoće inhibiraju površinu elektrode.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - A study of the electrochemical behavior of methomyl on a gold electrode in a neutral electrolyte
T1  - Proučavanje elektrohemijskog ponašanja metomila na elektrodi od zlata u neutralnom elektrolitu
EP  - 579
IS  - 5
SP  - 573
VL  - 74
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1384
ER  - 
@article{
author = "Tomašević, Anđelka and Avramov-Ivić, Milka and Petrović, Slobodan and Jovanović, Mića B. and Mijin, Dušan",
year = "2009",
abstract = "A gold electrode was used for the qualitative and quantitative electrochemical determination of analytical methomyl in a neutral electrolyte (0.050 M NaHCO3) using cyclic linear sweep voltammetry. In the potential range from -800 mV vs. SCE to 1000 mV vs. SCE the analytical methomyl was quantitatively determined in the concentration range 4.0-16 mg L-1. In the potential range from -1300 mV vs. SCE to 1300 mV vs. SCE, methomyl was qualitatively determined by two anodic and four cathodic reactions. Cycling the potential in this range for 150 min caused the degradation of the molecule, which was confirmed by HPLC analysis. On the other hand, technical methomyl exhibited an inhibition of the gold electrode surface due to the impurities., U radu su dati rezultati ispitivanja elektrohemijskog ponašanja aktivnosti metomila (analitičkog i tehničkog proizvoda) na elektrodi od zlata u neutralnom elektrolitu (0,050 M NaHCO3). HPLC je korišćena za analizu elektrolita u toku elektrohemijske reakcije. Maksimalna vrednost visine strujnog vrha oksidacije čistog metomila na 600 mV prema ZKE u 0,050 M NaHCO3 na 50 mV s-1 je linearna funkcija njegove koncentracije u opsegu 4-16 mg L-1 što je omogućilo razvijanje metode za njegovo kvantitativno određiva- nje. Analitički metomil je kvalitativno određen detekcijom reproduktivne četiri anodne i jedne katodne reakcije u opsegu potencijala od -1300 do 1300 mV prema ZKE. Potencijal je cikliziran 150 min u navedenom opsegu i analiza anodnih i katodnih reakcija na početku, u toku i na kraju cikliziranja potencijala je ukazala na degradaciju molekula metomila. Tokom cikliziranja potencijala, HPLC analiza elektrolita je pokazala smanjenje koncentracija metomila kao posledicu njegove degradacije. Tehnički metomil nije pogodan za ispitivanje pod navedenim uslovima jer prisutne nečistoće inhibiraju površinu elektrode.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "A study of the electrochemical behavior of methomyl on a gold electrode in a neutral electrolyte, Proučavanje elektrohemijskog ponašanja metomila na elektrodi od zlata u neutralnom elektrolitu",
pages = "579-573",
number = "5",
volume = "74",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1384"
}
Tomašević, A., Avramov-Ivić, M., Petrović, S., Jovanović, M. B.,& Mijin, D.. (2009). A study of the electrochemical behavior of methomyl on a gold electrode in a neutral electrolyte. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 74(5), 573-579.
https://hdl.handle.net/21.15107/rcub_technorep_1384
Tomašević A, Avramov-Ivić M, Petrović S, Jovanović MB, Mijin D. A study of the electrochemical behavior of methomyl on a gold electrode in a neutral electrolyte. in Journal of the Serbian Chemical Society. 2009;74(5):573-579.
https://hdl.handle.net/21.15107/rcub_technorep_1384 .
Tomašević, Anđelka, Avramov-Ivić, Milka, Petrović, Slobodan, Jovanović, Mića B., Mijin, Dušan, "A study of the electrochemical behavior of methomyl on a gold electrode in a neutral electrolyte" in Journal of the Serbian Chemical Society, 74, no. 5 (2009):573-579,
https://hdl.handle.net/21.15107/rcub_technorep_1384 .
9
10

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

Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs

Trišović, Nemanja; Banjac, Nebojša; Valentić, Nataša; Ušćumlić, Gordana

(Springer/Plenum Publishers, New York, 2009)

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Banjac, Nebojša
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1494
AB  - The absorption spectra of nine compounds structurally related to phenytoin (5,5-diphenylhydantoin) were recorded in twelve solvents over the range of 200 to 400 nm. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of their log (10) P values. The calculated values of log (10) P were correlated with the ratio of the contributions of specific and non-specific solute/solvent interactions. The correlation equations were combined with the corresponding ED50 values to generate new equations that demonstrate exact relationship between solute/solvent interactions and the structure-activity parameters.
PB  - Springer/Plenum Publishers, New York
T2  - Journal of Solution Chemistry
T1  - Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs
EP  - 208
IS  - 2
SP  - 199
VL  - 38
DO  - 10.1007/s10953-008-9367-y
ER  - 
@article{
author = "Trišović, Nemanja and Banjac, Nebojša and Valentić, Nataša and Ušćumlić, Gordana",
year = "2009",
abstract = "The absorption spectra of nine compounds structurally related to phenytoin (5,5-diphenylhydantoin) were recorded in twelve solvents over the range of 200 to 400 nm. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of their log (10) P values. The calculated values of log (10) P were correlated with the ratio of the contributions of specific and non-specific solute/solvent interactions. The correlation equations were combined with the corresponding ED50 values to generate new equations that demonstrate exact relationship between solute/solvent interactions and the structure-activity parameters.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Journal of Solution Chemistry",
title = "Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs",
pages = "208-199",
number = "2",
volume = "38",
doi = "10.1007/s10953-008-9367-y"
}
Trišović, N., Banjac, N., Valentić, N.,& Ušćumlić, G.. (2009). Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs. in Journal of Solution Chemistry
Springer/Plenum Publishers, New York., 38(2), 199-208.
https://doi.org/10.1007/s10953-008-9367-y
Trišović N, Banjac N, Valentić N, Ušćumlić G. Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs. in Journal of Solution Chemistry. 2009;38(2):199-208.
doi:10.1007/s10953-008-9367-y .
Trišović, Nemanja, Banjac, Nebojša, Valentić, Nataša, Ušćumlić, Gordana, "Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs" in Journal of Solution Chemistry, 38, no. 2 (2009):199-208,
https://doi.org/10.1007/s10953-008-9367-y . .
10
10
11

A new ecologically friendly process for the synthesis of selective flotation reagents

Milosavljević, Milutin M.; Marinković, Aleksandar; Petrović, Slobodan; Sovrlić, Milica

(Association of the Chemical Engineers of Serbia, 2009)

TY  - JOUR
AU  - Milosavljević, Milutin M.
AU  - Marinković, Aleksandar
AU  - Petrović, Slobodan
AU  - Sovrlić, Milica
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1448
AB  - A new ecologically friendly synthesis of N-alkyl-O-ethylthioncarbamates from ethyl dixanthogenates, waste material from the xanthate production plant, and monoalkylamines has been performed in this work. Structure determination of the synthesized compounds and also corresponding intermediates has been performed by IR, 1H-NMR and MS spectrometric methods. Residual dixanthogenates and thioncarbamates in waste water have been done by the gas chromatographic method and corresponding standard curve. It was confirmed that the reaction product was not present in water, while the concentration of dixanthogenates has been determined to be under the maximum contamination limit.
PB  - Association of the Chemical Engineers of Serbia
T2  - Chemical Industry & Chemical Engineering Quarterly
T1  - A new ecologically friendly process for the synthesis of selective flotation reagents
EP  - 262
IS  - 4
SP  - 257
VL  - 15
DO  - 10.2298/CICEQ0904257M
ER  - 
@article{
author = "Milosavljević, Milutin M. and Marinković, Aleksandar and Petrović, Slobodan and Sovrlić, Milica",
year = "2009",
abstract = "A new ecologically friendly synthesis of N-alkyl-O-ethylthioncarbamates from ethyl dixanthogenates, waste material from the xanthate production plant, and monoalkylamines has been performed in this work. Structure determination of the synthesized compounds and also corresponding intermediates has been performed by IR, 1H-NMR and MS spectrometric methods. Residual dixanthogenates and thioncarbamates in waste water have been done by the gas chromatographic method and corresponding standard curve. It was confirmed that the reaction product was not present in water, while the concentration of dixanthogenates has been determined to be under the maximum contamination limit.",
publisher = "Association of the Chemical Engineers of Serbia",
journal = "Chemical Industry & Chemical Engineering Quarterly",
title = "A new ecologically friendly process for the synthesis of selective flotation reagents",
pages = "262-257",
number = "4",
volume = "15",
doi = "10.2298/CICEQ0904257M"
}
Milosavljević, M. M., Marinković, A., Petrović, S.,& Sovrlić, M.. (2009). A new ecologically friendly process for the synthesis of selective flotation reagents. in Chemical Industry & Chemical Engineering Quarterly
Association of the Chemical Engineers of Serbia., 15(4), 257-262.
https://doi.org/10.2298/CICEQ0904257M
Milosavljević MM, Marinković A, Petrović S, Sovrlić M. A new ecologically friendly process for the synthesis of selective flotation reagents. in Chemical Industry & Chemical Engineering Quarterly. 2009;15(4):257-262.
doi:10.2298/CICEQ0904257M .
Milosavljević, Milutin M., Marinković, Aleksandar, Petrović, Slobodan, Sovrlić, Milica, "A new ecologically friendly process for the synthesis of selective flotation reagents" in Chemical Industry & Chemical Engineering Quarterly, 15, no. 4 (2009):257-262,
https://doi.org/10.2298/CICEQ0904257M . .
3
3
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Synthesis of B6 vitamin

Vučijak, Nevena Ž.; Petrović, Slobodan; Bezbradica, Dejan; Knežević-Jugović, Zorica; Mijin, Dušan

(Association of Chemical Engineers of Serbia, 2009)

TY  - JOUR
AU  - Vučijak, Nevena Ž.
AU  - Petrović, Slobodan
AU  - Bezbradica, Dejan
AU  - Knežević-Jugović, Zorica
AU  - Mijin, Dušan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1377
AB  - The importance of vitamin B6 has been known since its discovery in the 1940's. Chemical tests, elestrometric titration determinations, and absorption spectrum studies showed that this vitamin exists in three major chemical forms: pyridoxine (an alcohol), pyridoxal (an aldehyde), and pyridoxamine (a primary amine). Vitamin B6 is needed for more than 100 enzymes involved in protein metabolism, and it is assumed that this vitamin is cofactor of metabolic processes more important than any other substance. A deficiency of vitamin B6 in the human diet leads to severe disorders. Vitamin B6 is necessary for the proper function of the immune and nervous system, and helps the body convert protein to energy. This paper describes the history, properties and applications of vitamin B6, elucidation of chemical structure, and different procedures for synthesis of pyridoxine and pyridoxamine.
AB  - Vitamin B6 poznat je već 70 godina. Pod nazivom B6 podrazumeva se grupa jedinjenja, i to piridoksin, piridoksal i piridoksamin. U radu su prikazane karakteristike i primena vitamina B6, a zatim i način na koji je dokazana struktura piridoksina. U nastavku su prikazani različiti postupci dobijanja piridoksina i piridoksamina.
PB  - Association of Chemical Engineers of Serbia
T2  - Hemijska industrija
T1  - Synthesis of B6 vitamin
T1  - Sinteza vitamina B6
EP  - 360
IS  - 4
SP  - 353
VL  - 63
DO  - 10.2298/HEMIND0904353V
ER  - 
@article{
author = "Vučijak, Nevena Ž. and Petrović, Slobodan and Bezbradica, Dejan and Knežević-Jugović, Zorica and Mijin, Dušan",
year = "2009",
abstract = "The importance of vitamin B6 has been known since its discovery in the 1940's. Chemical tests, elestrometric titration determinations, and absorption spectrum studies showed that this vitamin exists in three major chemical forms: pyridoxine (an alcohol), pyridoxal (an aldehyde), and pyridoxamine (a primary amine). Vitamin B6 is needed for more than 100 enzymes involved in protein metabolism, and it is assumed that this vitamin is cofactor of metabolic processes more important than any other substance. A deficiency of vitamin B6 in the human diet leads to severe disorders. Vitamin B6 is necessary for the proper function of the immune and nervous system, and helps the body convert protein to energy. This paper describes the history, properties and applications of vitamin B6, elucidation of chemical structure, and different procedures for synthesis of pyridoxine and pyridoxamine., Vitamin B6 poznat je već 70 godina. Pod nazivom B6 podrazumeva se grupa jedinjenja, i to piridoksin, piridoksal i piridoksamin. U radu su prikazane karakteristike i primena vitamina B6, a zatim i način na koji je dokazana struktura piridoksina. U nastavku su prikazani različiti postupci dobijanja piridoksina i piridoksamina.",
publisher = "Association of Chemical Engineers of Serbia",
journal = "Hemijska industrija",
title = "Synthesis of B6 vitamin, Sinteza vitamina B6",
pages = "360-353",
number = "4",
volume = "63",
doi = "10.2298/HEMIND0904353V"
}
Vučijak, N. Ž., Petrović, S., Bezbradica, D., Knežević-Jugović, Z.,& Mijin, D.. (2009). Synthesis of B6 vitamin. in Hemijska industrija
Association of Chemical Engineers of Serbia., 63(4), 353-360.
https://doi.org/10.2298/HEMIND0904353V
Vučijak NŽ, Petrović S, Bezbradica D, Knežević-Jugović Z, Mijin D. Synthesis of B6 vitamin. in Hemijska industrija. 2009;63(4):353-360.
doi:10.2298/HEMIND0904353V .
Vučijak, Nevena Ž., Petrović, Slobodan, Bezbradica, Dejan, Knežević-Jugović, Zorica, Mijin, Dušan, "Synthesis of B6 vitamin" in Hemijska industrija, 63, no. 4 (2009):353-360,
https://doi.org/10.2298/HEMIND0904353V . .
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Hydantoins: Synthesis, properties and anticonvulsant activity

Trišović, Nemanja; Ušćumlić, Gordana; Petrović, Slobodan

(Association of Chemical Engineers of Serbia, 2009)

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Ušćumlić, Gordana
AU  - Petrović, Slobodan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1408
AB  - Hydantoin is a five-membered cyclic ureide that is present in numerous biologically active compounds including antiarrhytmics, anticonvulsants and antitumor agents. This paper describes different ways of synthesis of hydantoin-derivatives, their physical properties and reactivity. Also, the most widely used hydantoin anticonvulsants and the analysis of structureactivity relationships of anticonvulsant drugs in terms of lipophilicity and hydrogen bonding are presented here.
AB  - Hidantoin je petočlani ciklični ureid koji je sadržan u brojnim biološki aktivnim jedinjenjima kao što su antiaritmici, antikonvulzivi i antitumor agensi. U ovom radu su opisani postupci dobijanja derivata hidantoina, njihova fizička svojstva i reaktivnost. Prikazani su najčešće korišćeni antikonvulzivi iz grupe hidantoina, a razmatran je i uticaj strukture na antikovulzivnu aktivnost različitih derivata sa aspekta lipofilnosti i mogućnosti uspostavljanja vodoničnih veza.
PB  - Association of Chemical Engineers of Serbia
T2  - Hemijska industrija
T1  - Hydantoins: Synthesis, properties and anticonvulsant activity
T1  - Hidantoini - dobijanje, svojstva i antikonvulzivna aktivnost
EP  - 31
IS  - 1
SP  - 17
VL  - 63
DO  - 10.2298/HEMIND0901017T
ER  - 
@article{
author = "Trišović, Nemanja and Ušćumlić, Gordana and Petrović, Slobodan",
year = "2009",
abstract = "Hydantoin is a five-membered cyclic ureide that is present in numerous biologically active compounds including antiarrhytmics, anticonvulsants and antitumor agents. This paper describes different ways of synthesis of hydantoin-derivatives, their physical properties and reactivity. Also, the most widely used hydantoin anticonvulsants and the analysis of structureactivity relationships of anticonvulsant drugs in terms of lipophilicity and hydrogen bonding are presented here., Hidantoin je petočlani ciklični ureid koji je sadržan u brojnim biološki aktivnim jedinjenjima kao što su antiaritmici, antikonvulzivi i antitumor agensi. U ovom radu su opisani postupci dobijanja derivata hidantoina, njihova fizička svojstva i reaktivnost. Prikazani su najčešće korišćeni antikonvulzivi iz grupe hidantoina, a razmatran je i uticaj strukture na antikovulzivnu aktivnost različitih derivata sa aspekta lipofilnosti i mogućnosti uspostavljanja vodoničnih veza.",
publisher = "Association of Chemical Engineers of Serbia",
journal = "Hemijska industrija",
title = "Hydantoins: Synthesis, properties and anticonvulsant activity, Hidantoini - dobijanje, svojstva i antikonvulzivna aktivnost",
pages = "31-17",
number = "1",
volume = "63",
doi = "10.2298/HEMIND0901017T"
}
Trišović, N., Ušćumlić, G.,& Petrović, S.. (2009). Hydantoins: Synthesis, properties and anticonvulsant activity. in Hemijska industrija
Association of Chemical Engineers of Serbia., 63(1), 17-31.
https://doi.org/10.2298/HEMIND0901017T
Trišović N, Ušćumlić G, Petrović S. Hydantoins: Synthesis, properties and anticonvulsant activity. in Hemijska industrija. 2009;63(1):17-31.
doi:10.2298/HEMIND0901017T .
Trišović, Nemanja, Ušćumlić, Gordana, Petrović, Slobodan, "Hydantoins: Synthesis, properties and anticonvulsant activity" in Hemijska industrija, 63, no. 1 (2009):17-31,
https://doi.org/10.2298/HEMIND0901017T . .
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Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones

Valentić, Nataša; Vitnik, Željko; Mijin, Dušan; Ušćumlić, Gordana; Todorović, Nina; Juranić, Ivan

(Arkat Usa Inc, Gainesville, 2009)

TY  - JOUR
AU  - Valentić, Nataša
AU  - Vitnik, Željko
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
AU  - Todorović, Nina
AU  - Juranić, Ivan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1532
AB  - The C-13 NMR chemical shifts of the C2 carbon atom in the heteroaromatic nuclei of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones were determined in deuterated DMSO solution. For quantitative assessment of the substituent effects on the C-13 NMR chemical shifts simple and extended Hammett equations and Swain-Lupton equation were used. The mode of transmission of substituent effects have been discussed in a relation to the geometry of investigated molecules. The geometry data were obtained using semiempirical MNDO-PM6 energy calculations. The observed C-13 NMR substituent chemical shifts were correlated with literature C-13 NMR data for the corresponding 3- and 4-substituted- 2',6'-dimethylazobenzenes and 3- and 4-substituted azobenzenes. A good linear dependence obtained in this way, provided a basis to discuss the influence of the ortho-methyl groups on the degree of coplanarity of azobenzene and pyridone systems, and on the efficiency of transmission of electronic substituent effect from one ring to the other one.
PB  - Arkat Usa Inc, Gainesville
T2  - Arkivoc
T1  - Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones
EP  - 240
SP  - 227
DO  - 10.3998/ark.5550190.0010.d20
ER  - 
@article{
author = "Valentić, Nataša and Vitnik, Željko and Mijin, Dušan and Ušćumlić, Gordana and Todorović, Nina and Juranić, Ivan",
year = "2009",
abstract = "The C-13 NMR chemical shifts of the C2 carbon atom in the heteroaromatic nuclei of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones were determined in deuterated DMSO solution. For quantitative assessment of the substituent effects on the C-13 NMR chemical shifts simple and extended Hammett equations and Swain-Lupton equation were used. The mode of transmission of substituent effects have been discussed in a relation to the geometry of investigated molecules. The geometry data were obtained using semiempirical MNDO-PM6 energy calculations. The observed C-13 NMR substituent chemical shifts were correlated with literature C-13 NMR data for the corresponding 3- and 4-substituted- 2',6'-dimethylazobenzenes and 3- and 4-substituted azobenzenes. A good linear dependence obtained in this way, provided a basis to discuss the influence of the ortho-methyl groups on the degree of coplanarity of azobenzene and pyridone systems, and on the efficiency of transmission of electronic substituent effect from one ring to the other one.",
publisher = "Arkat Usa Inc, Gainesville",
journal = "Arkivoc",
title = "Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones",
pages = "240-227",
doi = "10.3998/ark.5550190.0010.d20"
}
Valentić, N., Vitnik, Ž., Mijin, D., Ušćumlić, G., Todorović, N.,& Juranić, I.. (2009). Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones. in Arkivoc
Arkat Usa Inc, Gainesville., 227-240.
https://doi.org/10.3998/ark.5550190.0010.d20
Valentić N, Vitnik Ž, Mijin D, Ušćumlić G, Todorović N, Juranić I. Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones. in Arkivoc. 2009;:227-240.
doi:10.3998/ark.5550190.0010.d20 .
Valentić, Nataša, Vitnik, Željko, Mijin, Dušan, Ušćumlić, Gordana, Todorović, Nina, Juranić, Ivan, "Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones" in Arkivoc (2009):227-240,
https://doi.org/10.3998/ark.5550190.0010.d20 . .
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2

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 . .
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