TY  - JOUR
AU  - Marković, Jelena M.
AU  - Trišović, Nemanja
AU  - Mutavdžić, Dragosav
AU  - Radotić, Ksenija
AU  - Juranić, Ivan
AU  - Drakulić, Branko
AU  - Marinković, Aleksandar
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3026
AB  - Seven symmetrical 2,6-distyrylpyridines, phenyl-substituted with hydrogen-bond donors, hydrogen-bond acceptors, halogens and hydrophobic moieties were synthesized and their spectroscopic characterization was done. Solvent effects on the absorption and fluorescence spectra were analyzed and quantified using the Kamlet-Taft and Catalan approach. The obtained results were rationalized by comparison of electrostatic potentials of the molecules in the ground and in excited state and by comparison of the frontier molecular orbitals (HOMO and LUMO), derived from quantum-mechanical calculations (HE, DFT, MP2). Analysis of the results revealed an important influence of non-specific (dispersive) interactions on the solvatochromic behavior of the compounds. 1D and 2D NMR data, in silica obtained conformational assembly of the compound, and the NMR analysis of molecular flexibility in solution (NAMFIS), were used to estimate population of conformers and to deconvolute the UV-Vis spectrum of representative derivative; inferring that the conformational assembly is more complex than was assumed in so far published literature data for this class of compounds. Along with this, the emission spectra of the representative compounds were decomposed by the Multivariate Curve Resolution analysis.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Solvatochromism of symmetrical 2,6-distyrylpyridines. An experimental and theoretical study
EP  - 446
SP  - 435
VL  - 135
DO  - 10.1016/j.saa.2014.07.023
ER  - 

@article{
author = "Marković, Jelena M. and Trišović, Nemanja and Mutavdžić, Dragosav and Radotić, Ksenija and Juranić, Ivan and Drakulić, Branko and Marinković, Aleksandar",
year = "2015",
abstract = "Seven symmetrical 2,6-distyrylpyridines, phenyl-substituted with hydrogen-bond donors, hydrogen-bond acceptors, halogens and hydrophobic moieties were synthesized and their spectroscopic characterization was done. Solvent effects on the absorption and fluorescence spectra were analyzed and quantified using the Kamlet-Taft and Catalan approach. The obtained results were rationalized by comparison of electrostatic potentials of the molecules in the ground and in excited state and by comparison of the frontier molecular orbitals (HOMO and LUMO), derived from quantum-mechanical calculations (HE, DFT, MP2). Analysis of the results revealed an important influence of non-specific (dispersive) interactions on the solvatochromic behavior of the compounds. 1D and 2D NMR data, in silica obtained conformational assembly of the compound, and the NMR analysis of molecular flexibility in solution (NAMFIS), were used to estimate population of conformers and to deconvolute the UV-Vis spectrum of representative derivative; inferring that the conformational assembly is more complex than was assumed in so far published literature data for this class of compounds. Along with this, the emission spectra of the representative compounds were decomposed by the Multivariate Curve Resolution analysis.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Solvatochromism of symmetrical 2,6-distyrylpyridines. An experimental and theoretical study",
pages = "446-435",
volume = "135",
doi = "10.1016/j.saa.2014.07.023"
}

Marković, J. M., Trišović, N., Mutavdžić, D., Radotić, K., Juranić, I., Drakulić, B.,& Marinković, A.. (2015). Solvatochromism of symmetrical 2,6-distyrylpyridines. An experimental and theoretical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 135, 435-446.
https://doi.org/10.1016/j.saa.2014.07.023

Marković JM, Trišović N, Mutavdžić D, Radotić K, Juranić I, Drakulić B, Marinković A. Solvatochromism of symmetrical 2,6-distyrylpyridines. An experimental and theoretical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2015;135:435-446.
doi:10.1016/j.saa.2014.07.023 .

Marković, Jelena M., Trišović, Nemanja, Mutavdžić, Dragosav, Radotić, Ksenija, Juranić, Ivan, Drakulić, Branko, Marinković, Aleksandar, "Solvatochromism of symmetrical 2,6-distyrylpyridines. An experimental and theoretical study" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 135 (2015):435-446,
https://doi.org/10.1016/j.saa.2014.07.023 . .

TY  - JOUR
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Banjac, Nebojša
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2014
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2792
AB  - This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of the FT-IR, UV and NMR spectra were reported. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) B3LYP method using 6-31G(d,p) and 6-311++G(d,p) basis set. The scaled theoretical wave-number showed very good agreement with the experimental values. The H-1 and C-13 nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge-Invariant Atomic Orbital (GIAO) method. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the sigma* and pi* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-Vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were calculated by Time-Dependent (TD-DFT) approach. To estimate chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of the molecule.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide
EP  - 53
SP  - 42
VL  - 117
DO  - 10.1016/j.saa.2013.07.099
ER  - 

@article{
author = "Vitnik, Vesna and Vitnik, Željko and Banjac, Nebojša and Valentić, Nataša and Ušćumlić, Gordana and Juranić, Ivan",
year = "2014",
abstract = "This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of the FT-IR, UV and NMR spectra were reported. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) B3LYP method using 6-31G(d,p) and 6-311++G(d,p) basis set. The scaled theoretical wave-number showed very good agreement with the experimental values. The H-1 and C-13 nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge-Invariant Atomic Orbital (GIAO) method. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the sigma* and pi* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-Vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were calculated by Time-Dependent (TD-DFT) approach. To estimate chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of the molecule.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide",
pages = "53-42",
volume = "117",
doi = "10.1016/j.saa.2013.07.099"
}

Vitnik, V., Vitnik, Ž., Banjac, N., Valentić, N., Ušćumlić, G.,& Juranić, I.. (2014). Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 117, 42-53.
https://doi.org/10.1016/j.saa.2013.07.099

Vitnik V, Vitnik Ž, Banjac N, Valentić N, Ušćumlić G, Juranić I. Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2014;117:42-53.
doi:10.1016/j.saa.2013.07.099 .

Vitnik, Vesna, Vitnik, Željko, Banjac, Nebojša, Valentić, Nataša, Ušćumlić, Gordana, Juranić, Ivan, "Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 117 (2014):42-53,
https://doi.org/10.1016/j.saa.2013.07.099 . .

TY  - JOUR
AU  - Urošević, Jovica V.
AU  - Drmanić, Saša
AU  - Nikolić, Jasmina
AU  - Juranić, Ivan
AU  - Jovanović, Bratislav Ž.
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2347
AB  - Quantitative structure-reactivity correlations for the kinetics of the Hantzsch synthesis of 4-(substituted phenyl)-1,4-dihydropyridines in the reaction between ethyl m- and p-substituted 2-benzylideneacetoacetate and the enamine (ethyl 3-aminocrotonate) was studied. The reaction kinetics was followed spectrophotometrically. It was found that the reaction correspond to second-order kinetics. Quantitative structure-reactivity correlations of log k were obtained with the corresponding substituent constants (s, s+, sI and s + ) using the Hammett and extended Hammett equation (dual substituent parameter, DSP, equation). They showed linear relationships with positive values of reaction constants (r). The obtained data were processed by linear regression analysis. It was confirmed that Michael addition of the enamine to benzylidene represented the slow step of the reaction with a high positive charge at the benzylidene molecule. MO calculations were performed and they were in agreement with the conclusions derived from the structure-reactivity correlations. .
AB  - Proučavan je kvantitativan odnos strukture i reaktivnosti za kinetiku Hančove sinteze supstituisanih 4-fenil-1,4-dihidropiridina u reakciji etil-m- i p-supstituisanih 2-benziliden-acetoacetata i enamina. Kinetika ispitivane reakcije je praćena spektrofotometrijskim metodom. Zapaženo je da je reč o reakciji drugog reda. Kvantitativne korelacije strukture i reaktivnosti koje izražavaju logaritam određene konstante brzine reakcije (log k) u zavisnosti od odgovarajućih konstanti supstituenata (s, s+,sI i s +) određene su za Hametovu (Hammett) i proširenu Hametovu jednačinu (DSP-jednačinu). Pokazale su linearnu zavisnost sa pozitivnim vrednostima nagiba, odnosno reakcione konstante (r). Time je potvrđeno da Majklova (Michael) adicija enamina na benziliden predstavlja spori stupanj u reakciji sa izraženim pozitivnim naelektrisanjem na molekulu benzilidena. MO proračuni su takođe urađeni i njihovi rezultati su bili u skladu sa zaključcima izvedenim iz korelacija strukture i reaktivnosti. .
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines
T1  - Korelacije strukture i reaktivnosti za kinetiku reakcije sinteze supstituisanih 4-fenil-1,4-dihidropiridina
EP  - 1973
IS  - 12
SP  - 1963
VL  - 78
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2347
ER  - 

@article{
author = "Urošević, Jovica V. and Drmanić, Saša and Nikolić, Jasmina and Juranić, Ivan and Jovanović, Bratislav Ž.",
year = "2013",
abstract = "Quantitative structure-reactivity correlations for the kinetics of the Hantzsch synthesis of 4-(substituted phenyl)-1,4-dihydropyridines in the reaction between ethyl m- and p-substituted 2-benzylideneacetoacetate and the enamine (ethyl 3-aminocrotonate) was studied. The reaction kinetics was followed spectrophotometrically. It was found that the reaction correspond to second-order kinetics. Quantitative structure-reactivity correlations of log k were obtained with the corresponding substituent constants (s, s+, sI and s + ) using the Hammett and extended Hammett equation (dual substituent parameter, DSP, equation). They showed linear relationships with positive values of reaction constants (r). The obtained data were processed by linear regression analysis. It was confirmed that Michael addition of the enamine to benzylidene represented the slow step of the reaction with a high positive charge at the benzylidene molecule. MO calculations were performed and they were in agreement with the conclusions derived from the structure-reactivity correlations. ., Proučavan je kvantitativan odnos strukture i reaktivnosti za kinetiku Hančove sinteze supstituisanih 4-fenil-1,4-dihidropiridina u reakciji etil-m- i p-supstituisanih 2-benziliden-acetoacetata i enamina. Kinetika ispitivane reakcije je praćena spektrofotometrijskim metodom. Zapaženo je da je reč o reakciji drugog reda. Kvantitativne korelacije strukture i reaktivnosti koje izražavaju logaritam određene konstante brzine reakcije (log k) u zavisnosti od odgovarajućih konstanti supstituenata (s, s+,sI i s +) određene su za Hametovu (Hammett) i proširenu Hametovu jednačinu (DSP-jednačinu). Pokazale su linearnu zavisnost sa pozitivnim vrednostima nagiba, odnosno reakcione konstante (r). Time je potvrđeno da Majklova (Michael) adicija enamina na benziliden predstavlja spori stupanj u reakciji sa izraženim pozitivnim naelektrisanjem na molekulu benzilidena. MO proračuni su takođe urađeni i njihovi rezultati su bili u skladu sa zaključcima izvedenim iz korelacija strukture i reaktivnosti. .",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines, Korelacije strukture i reaktivnosti za kinetiku reakcije sinteze supstituisanih 4-fenil-1,4-dihidropiridina",
pages = "1973-1963",
number = "12",
volume = "78",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2347"
}

Urošević, J. V., Drmanić, S., Nikolić, J., Juranić, I.,& Jovanović, B. Ž.. (2013). Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 78(12), 1963-1973.
https://hdl.handle.net/21.15107/rcub_technorep_2347

Urošević JV, Drmanić S, Nikolić J, Juranić I, Jovanović BŽ. Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines. in Journal of the Serbian Chemical Society. 2013;78(12):1963-1973.
https://hdl.handle.net/21.15107/rcub_technorep_2347 .

Urošević, Jovica V., Drmanić, Saša, Nikolić, Jasmina, Juranić, Ivan, Jovanović, Bratislav Ž., "Structure-reactivity correlation for the kinetics of the formation reaction of 4-(substituted phenyl)-1,4-dihydropyridines" in Journal of the Serbian Chemical Society, 78, no. 12 (2013):1963-1973,
https://hdl.handle.net/21.15107/rcub_technorep_2347 .

TY  - JOUR
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Vitnik, Željko
AU  - Vitnik, Vesna
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2458
AB  - Two series of 1-aryl-3-phenyl- and 1-aryl-3,3-diphenylpyrrolidine-2,5-diones were synthesized and their solvatochromic properties were studied in a set of 15 solvents of different polarity. The effect of specific and non-specific solvent-solute interactions on the position of their absorption bands was evaluated by using the solvent parameter sets of Kamlet and Taft. The interpretation of the effect of different substituent patterns on the solvatochromic properties of the investigated compounds was based on quantum chemical calculations performed by the density functional theory (DFT)/CAM-B3LYP method using the 6-311G(d,p) basis set. The theoretical absorption frequencies show very good agreement with the experimental values. The energy gaps between the HOMO and LUMO orbitals were also analyzed. It is demonstrated that different substituents change the conjugation effect and further determine the pathways of intramolecular charge transfer.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer
EP  - 1535
IS  - 10
SP  - 1525
VL  - 144
DO  - 10.1007/s00706-013-1052-1
ER  - 

@article{
author = "Banjac, Nebojša and Trišović, Nemanja and Vitnik, Željko and Vitnik, Vesna and Valentić, Nataša and Ušćumlić, Gordana and Juranić, Ivan",
year = "2013",
abstract = "Two series of 1-aryl-3-phenyl- and 1-aryl-3,3-diphenylpyrrolidine-2,5-diones were synthesized and their solvatochromic properties were studied in a set of 15 solvents of different polarity. The effect of specific and non-specific solvent-solute interactions on the position of their absorption bands was evaluated by using the solvent parameter sets of Kamlet and Taft. The interpretation of the effect of different substituent patterns on the solvatochromic properties of the investigated compounds was based on quantum chemical calculations performed by the density functional theory (DFT)/CAM-B3LYP method using the 6-311G(d,p) basis set. The theoretical absorption frequencies show very good agreement with the experimental values. The energy gaps between the HOMO and LUMO orbitals were also analyzed. It is demonstrated that different substituents change the conjugation effect and further determine the pathways of intramolecular charge transfer.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer",
pages = "1535-1525",
number = "10",
volume = "144",
doi = "10.1007/s00706-013-1052-1"
}

Banjac, N., Trišović, N., Vitnik, Ž., Vitnik, V., Valentić, N., Ušćumlić, G.,& Juranić, I.. (2013). Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer. in Monatshefte Fur Chemie
Springer Wien, Wien., 144(10), 1525-1535.
https://doi.org/10.1007/s00706-013-1052-1

Banjac N, Trišović N, Vitnik Ž, Vitnik V, Valentić N, Ušćumlić G, Juranić I. Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer. in Monatshefte Fur Chemie. 2013;144(10):1525-1535.
doi:10.1007/s00706-013-1052-1 .

Banjac, Nebojša, Trišović, Nemanja, Vitnik, Željko, Vitnik, Vesna, Valentić, Nataša, Ušćumlić, Gordana, Juranić, Ivan, "Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer" in Monatshefte Fur Chemie, 144, no. 10 (2013):1525-1535,
https://doi.org/10.1007/s00706-013-1052-1 . .

TY  - JOUR
AU  - Drakulić, Branko
AU  - Marinković, Aleksandar
AU  - Juranić, Ivan
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2222
AB  - Rate constants for the esterification of eleven 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane in ethanol at 30 degrees C were determined, and correlated with substituent constants using classical Hammett and related methods. Statistically valid results for the para-substituted compounds were obtained by the Swain-Lupton approach. The compounds studied had significant conformational mobility due to seven rotatable bonds in their backbone. Going beyond the classical Hammett approach, we established a relatively fast procedure to find the optimal conformations that can be used in linear free-energy relationships, combining molecular dynamics with semiempirical calculations, and calculations using a higher level of theory (DFT and MP2). Fair correlations were observed with frontier orbitals, allowing inclusion of ortho-substituted derivatives and clarifying artifact-like data, as perceived by the Hammett-type approach.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron Letters
T1  - On the choice of optimal conformation in linear free-energy relationships. Reactivity of 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane
EP  - 556
IS  - 5
SP  - 553
VL  - 53
DO  - 10.1016/j.tetlet.2011.11.097
ER  - 

@article{
author = "Drakulić, Branko and Marinković, Aleksandar and Juranić, Ivan",
year = "2012",
abstract = "Rate constants for the esterification of eleven 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane in ethanol at 30 degrees C were determined, and correlated with substituent constants using classical Hammett and related methods. Statistically valid results for the para-substituted compounds were obtained by the Swain-Lupton approach. The compounds studied had significant conformational mobility due to seven rotatable bonds in their backbone. Going beyond the classical Hammett approach, we established a relatively fast procedure to find the optimal conformations that can be used in linear free-energy relationships, combining molecular dynamics with semiempirical calculations, and calculations using a higher level of theory (DFT and MP2). Fair correlations were observed with frontier orbitals, allowing inclusion of ortho-substituted derivatives and clarifying artifact-like data, as perceived by the Hammett-type approach.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron Letters",
title = "On the choice of optimal conformation in linear free-energy relationships. Reactivity of 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane",
pages = "556-553",
number = "5",
volume = "53",
doi = "10.1016/j.tetlet.2011.11.097"
}

Drakulić, B., Marinković, A.,& Juranić, I.. (2012). On the choice of optimal conformation in linear free-energy relationships. Reactivity of 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane. in Tetrahedron Letters
Pergamon-Elsevier Science Ltd, Oxford., 53(5), 553-556.
https://doi.org/10.1016/j.tetlet.2011.11.097

Drakulić B, Marinković A, Juranić I. On the choice of optimal conformation in linear free-energy relationships. Reactivity of 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane. in Tetrahedron Letters. 2012;53(5):553-556.
doi:10.1016/j.tetlet.2011.11.097 .

Drakulić, Branko, Marinković, Aleksandar, Juranić, Ivan, "On the choice of optimal conformation in linear free-energy relationships. Reactivity of 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids with diphenyldiazomethane" in Tetrahedron Letters, 53, no. 5 (2012):553-556,
https://doi.org/10.1016/j.tetlet.2011.11.097 . .

TY  - JOUR
AU  - Gržetić, Ivan
AU  - Juranić, Ivan
AU  - Damjanović, Ljiljana
AU  - Popović, Ivanka
AU  - Ivančev-Tumbas, Ivana
AU  - Matović, Zoran
AU  - Anđelković, Tatjana
AU  - Diković, Ljubica
AU  - Antonijević, Milan
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2074
AB  - One of the results of the work on the TEMPUS project 'Modernisation of Post-Graduate Studies in Chemistry and Chemistry Related Programmes - MCHEM' are benchmark standards for chemistry and chemistry related subjects. The goal of this text was to make these standards available to Serbian community. Obtained text is a result of the consensus among participants of the project coming from educational institutions that are responsible for chemistry and it is based on already existing standards in Europe created by 'The Chemistry Quality Eurolabels®' and adopted by 'European Association for Chemical and Molecular Sciences' since 2003.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Hemijski pregled
T1  - Referentni obrazovni standardi za hemiju i srodne discipline
EP  - 105
IS  - 4
SP  - 100
VL  - 53
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2074
ER  - 

@article{
author = "Gržetić, Ivan and Juranić, Ivan and Damjanović, Ljiljana and Popović, Ivanka and Ivančev-Tumbas, Ivana and Matović, Zoran and Anđelković, Tatjana and Diković, Ljubica and Antonijević, Milan",
year = "2012",
abstract = "One of the results of the work on the TEMPUS project 'Modernisation of Post-Graduate Studies in Chemistry and Chemistry Related Programmes - MCHEM' are benchmark standards for chemistry and chemistry related subjects. The goal of this text was to make these standards available to Serbian community. Obtained text is a result of the consensus among participants of the project coming from educational institutions that are responsible for chemistry and it is based on already existing standards in Europe created by 'The Chemistry Quality Eurolabels®' and adopted by 'European Association for Chemical and Molecular Sciences' since 2003.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Hemijski pregled",
title = "Referentni obrazovni standardi za hemiju i srodne discipline",
pages = "105-100",
number = "4",
volume = "53",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2074"
}

Gržetić, I., Juranić, I., Damjanović, L., Popović, I., Ivančev-Tumbas, I., Matović, Z., Anđelković, T., Diković, L.,& Antonijević, M.. (2012). Referentni obrazovni standardi za hemiju i srodne discipline. in Hemijski pregled
Srpsko hemijsko društvo, Beograd., 53(4), 100-105.
https://hdl.handle.net/21.15107/rcub_technorep_2074

Gržetić I, Juranić I, Damjanović L, Popović I, Ivančev-Tumbas I, Matović Z, Anđelković T, Diković L, Antonijević M. Referentni obrazovni standardi za hemiju i srodne discipline. in Hemijski pregled. 2012;53(4):100-105.
https://hdl.handle.net/21.15107/rcub_technorep_2074 .

Gržetić, Ivan, Juranić, Ivan, Damjanović, Ljiljana, Popović, Ivanka, Ivančev-Tumbas, Ivana, Matović, Zoran, Anđelković, Tatjana, Diković, Ljubica, Antonijević, Milan, "Referentni obrazovni standardi za hemiju i srodne discipline" in Hemijski pregled, 53, no. 4 (2012):100-105,
https://hdl.handle.net/21.15107/rcub_technorep_2074 .

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Valentić, Nataša
AU  - Erović, Marko
AU  - Đaković-Sekulić, Tatjana
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1904
AB  - A series of 5-substituted 5-phenylhydantoins was 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 were analyzed by means of the linear solvation energy relationship concept proposed by Kamlet and Taft. The lipophilicities of the investigated hydantoins were estimated by calculation of their log P values. The quantitative relationship between the ratio of the contributions of specific solvent interactions and the corresponding lipophilicity parameter is discussed. The correlation equations were combined with the corresponding ED50 values and different physicochemical parameters to generate new equations that demonstrate the reasonable relationships between solute-solvent interactions and the structure-activity parameters. In order to determine a spectroscopic assignment of the absorption bands in different solvents, quantum chemical calculations were done.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Synthesis, structure, and solvatochromic properties of pharmacologically active 5-substituted 5-phenylhydantoins
EP  - 1234
IS  - 12
SP  - 1227
VL  - 142
DO  - 10.1007/s00706-011-0639-7
ER  - 

@article{
author = "Trišović, Nemanja and Valentić, Nataša and Erović, Marko and Đaković-Sekulić, Tatjana and Ušćumlić, Gordana and Juranić, Ivan",
year = "2011",
abstract = "A series of 5-substituted 5-phenylhydantoins was 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 were analyzed by means of the linear solvation energy relationship concept proposed by Kamlet and Taft. The lipophilicities of the investigated hydantoins were estimated by calculation of their log P values. The quantitative relationship between the ratio of the contributions of specific solvent interactions and the corresponding lipophilicity parameter is discussed. The correlation equations were combined with the corresponding ED50 values and different physicochemical parameters to generate new equations that demonstrate the reasonable relationships between solute-solvent interactions and the structure-activity parameters. In order to determine a spectroscopic assignment of the absorption bands in different solvents, quantum chemical calculations were done.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Synthesis, structure, and solvatochromic properties of pharmacologically active 5-substituted 5-phenylhydantoins",
pages = "1234-1227",
number = "12",
volume = "142",
doi = "10.1007/s00706-011-0639-7"
}

Trišović, N., Valentić, N., Erović, M., Đaković-Sekulić, T., Ušćumlić, G.,& Juranić, I.. (2011). Synthesis, structure, and solvatochromic properties of pharmacologically active 5-substituted 5-phenylhydantoins. in Monatshefte Fur Chemie
Springer Wien, Wien., 142(12), 1227-1234.
https://doi.org/10.1007/s00706-011-0639-7

Trišović N, Valentić N, Erović M, Đaković-Sekulić T, Ušćumlić G, Juranić I. Synthesis, structure, and solvatochromic properties of pharmacologically active 5-substituted 5-phenylhydantoins. in Monatshefte Fur Chemie. 2011;142(12):1227-1234.
doi:10.1007/s00706-011-0639-7 .

Trišović, Nemanja, Valentić, Nataša, Erović, Marko, Đaković-Sekulić, Tatjana, Ušćumlić, Gordana, Juranić, Ivan, "Synthesis, structure, and solvatochromic properties of pharmacologically active 5-substituted 5-phenylhydantoins" in Monatshefte Fur Chemie, 142, no. 12 (2011):1227-1234,
https://doi.org/10.1007/s00706-011-0639-7 . .

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 . .

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 . .

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 . .

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 . .

TY  - JOUR
AU  - Jovanović, Bratislav Ž.
AU  - Marinković, Aleksandar
AU  - Vitnik, Željko
AU  - Juranić, Ivan
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1114
AB  - The rate constants for the reaction of twenty-two N-(substituted phenylmethylene)- m- and -p-aminobenzoic acids with diazodiphenylmethane were determined in absolute ethanol at 30 °C. The effects of substituents on the reactivity of the investigated compounds were interpreted by correlation of the rate constants with LFER equations. The results of quantum mechanical calculations of the molecular structure together with experimental results gave a better insight into the effects of structure on the transmission of electronic effects of the substituents. New σ constants for substituted benzylideneamino group were calculated.
AB  - Konstante brzina reakcija između dvadeset dve N-(supstituisane fenilmetilen)-m- i -p-aminobenzoeve kiseline i diazodifenilmetana određene su u apsolutnom etanolu na 30 °C. Efekti supstituenata na reaktivnost ispitivanih jedinjenja su interpretirani korelacijom reakcionih konstanti pomoću LFER jednačina. Rezultati kvantno-mehaničkih računanja molekulske strukture zajedno sa eksperimentalnim rezultatima omogućili su bolje razumevanje uticaja strukture na prenos elektronskih efekata supstituenata. Izračunate su nove σ konstante za supstituisane benzilidenamino grupe.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane
T1  - Efekti supstituenata i strukture na kinetiku reakcije N-(supstituisanih)-m- i -p-aminobenzoevih kiselina sa diazodifenilmetanom
EP  - 1200
IS  - 12
SP  - 1191
VL  - 72
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1114
ER  - 

@article{
author = "Jovanović, Bratislav Ž. and Marinković, Aleksandar and Vitnik, Željko and Juranić, Ivan",
year = "2007",
abstract = "The rate constants for the reaction of twenty-two N-(substituted phenylmethylene)- m- and -p-aminobenzoic acids with diazodiphenylmethane were determined in absolute ethanol at 30 °C. The effects of substituents on the reactivity of the investigated compounds were interpreted by correlation of the rate constants with LFER equations. The results of quantum mechanical calculations of the molecular structure together with experimental results gave a better insight into the effects of structure on the transmission of electronic effects of the substituents. New σ constants for substituted benzylideneamino group were calculated., Konstante brzina reakcija između dvadeset dve N-(supstituisane fenilmetilen)-m- i -p-aminobenzoeve kiseline i diazodifenilmetana određene su u apsolutnom etanolu na 30 °C. Efekti supstituenata na reaktivnost ispitivanih jedinjenja su interpretirani korelacijom reakcionih konstanti pomoću LFER jednačina. Rezultati kvantno-mehaničkih računanja molekulske strukture zajedno sa eksperimentalnim rezultatima omogućili su bolje razumevanje uticaja strukture na prenos elektronskih efekata supstituenata. Izračunate su nove σ konstante za supstituisane benzilidenamino grupe.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane, Efekti supstituenata i strukture na kinetiku reakcije N-(supstituisanih)-m- i -p-aminobenzoevih kiselina sa diazodifenilmetanom",
pages = "1200-1191",
number = "12",
volume = "72",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1114"
}

Jovanović, B. Ž., Marinković, A., Vitnik, Ž.,& Juranić, I.. (2007). Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 72(12), 1191-1200.
https://hdl.handle.net/21.15107/rcub_technorep_1114

Jovanović BŽ, Marinković A, Vitnik Ž, Juranić I. Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane. in Journal of the Serbian Chemical Society. 2007;72(12):1191-1200.
https://hdl.handle.net/21.15107/rcub_technorep_1114 .

Jovanović, Bratislav Ž., Marinković, Aleksandar, Vitnik, Željko, Juranić, Ivan, "Substituent and structural effects on the kinetics of the reaction of N-(substituted phenylmethylene)-m- and -p-aminobenzoic acids with diazodiphenylmethane" in Journal of the Serbian Chemical Society, 72, no. 12 (2007):1191-1200,
https://hdl.handle.net/21.15107/rcub_technorep_1114 .

TY  - JOUR
AU  - Nikolić, Jasmina
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1144
AB  - The rate constants for the reaction of 2-methyl-cyclohex-1-enylcarboxylic, 2-phenylcyclohex-1-enylcarboxylic, and 2-methylbenzoic and 2-phenylbenzoic acids with diazodiphenyl-methane were determined in 14 various 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 quantitative relationship between the molecular structure and the chemical reactivity has been discussed, as well as the effect of geometry on the reactivity of the examined molecules. The geometric data of all the examined compounds corresponding to the energy minima in solvent, simulated as dielectric continuum, obtained using semiempirical MNDO-PM3 energy calculations.
PB  - Wiley, Hoboken
T2  - International Journal of Chemical Kinetics
T1  - Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane
EP  - 671
IS  - 12
SP  - 664
VL  - 39
DO  - 10.1002/kin.20281
ER  - 

@article{
author = "Nikolić, Jasmina and Ušćumlić, Gordana and Juranić, Ivan",
year = "2007",
abstract = "The rate constants for the reaction of 2-methyl-cyclohex-1-enylcarboxylic, 2-phenylcyclohex-1-enylcarboxylic, and 2-methylbenzoic and 2-phenylbenzoic acids with diazodiphenyl-methane were determined in 14 various 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 quantitative relationship between the molecular structure and the chemical reactivity has been discussed, as well as the effect of geometry on the reactivity of the examined molecules. The geometric data of all the examined compounds corresponding to the energy minima in solvent, simulated as dielectric continuum, obtained using semiempirical MNDO-PM3 energy calculations.",
publisher = "Wiley, Hoboken",
journal = "International Journal of Chemical Kinetics",
title = "Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane",
pages = "671-664",
number = "12",
volume = "39",
doi = "10.1002/kin.20281"
}

Nikolić, J., Ušćumlić, G.,& Juranić, I.. (2007). Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane. in International Journal of Chemical Kinetics
Wiley, Hoboken., 39(12), 664-671.
https://doi.org/10.1002/kin.20281

Nikolić J, Ušćumlić G, Juranić I. Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane. in International Journal of Chemical Kinetics. 2007;39(12):664-671.
doi:10.1002/kin.20281 .

Nikolić, Jasmina, Ušćumlić, Gordana, Juranić, Ivan, "Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane" in International Journal of Chemical Kinetics, 39, no. 12 (2007):664-671,
https://doi.org/10.1002/kin.20281 . .

TY  - JOUR
AU  - Juranić, Ivan
AU  - Drakulić, Branko
AU  - Petrović, Slobodan
AU  - Mijin, Dušan
AU  - Stanković, Miroslav
PY  - 2006
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1001
AB  - Acute toxicity in vivo toward rats, of nineteen N-alkyl and N-cycloalkyl fluorocetamides [F-CH2-C(O)-NH-R] was correlated with their structure-dependent properties. Used descriptors are: molecular weights (M-w) and heat of formation (Delta H-f) of compounds; molar refractivity (CMR), lipophilicity (Clog P), Broto lipol values, virtual log P, molecular lipophilic potential (MLP), Van der Waals surfaces (VdW SAS) and hydropathicity surface (ILM) of whole molecules; Taft steric parameters (E-s); E-s values with Hancock corrections (E-s(CH)) and Verloop sterimol (B-5) and (L) parameters of alkyl and cycloalkyl residues; superdelocalizabilities and electron densities on the [NH-C(O)-CH2-F] fragment. Strong quantitative structure-activity relationships were assessed. Obtained correlation suggested that lipophilicity, shape and bulkiness of the alkyl and cycloalkyl substituents, particular nearest vicinity of the amide nitrogen, as well charges on the amide moiety are the main factors that influence on the acute toxicity of studied compounds toward rats. Mechanism of toxic action was proposed.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Chemosphere
T1  - A QSAR study of acute toxicity of N-substituted fluoroacetamides to rats
EP  - 649
IS  - 4
SP  - 641
VL  - 62
DO  - 10.1016/j.chemosphere.2005.05.005
ER  - 

@article{
author = "Juranić, Ivan and Drakulić, Branko and Petrović, Slobodan and Mijin, Dušan and Stanković, Miroslav",
year = "2006",
abstract = "Acute toxicity in vivo toward rats, of nineteen N-alkyl and N-cycloalkyl fluorocetamides [F-CH2-C(O)-NH-R] was correlated with their structure-dependent properties. Used descriptors are: molecular weights (M-w) and heat of formation (Delta H-f) of compounds; molar refractivity (CMR), lipophilicity (Clog P), Broto lipol values, virtual log P, molecular lipophilic potential (MLP), Van der Waals surfaces (VdW SAS) and hydropathicity surface (ILM) of whole molecules; Taft steric parameters (E-s); E-s values with Hancock corrections (E-s(CH)) and Verloop sterimol (B-5) and (L) parameters of alkyl and cycloalkyl residues; superdelocalizabilities and electron densities on the [NH-C(O)-CH2-F] fragment. Strong quantitative structure-activity relationships were assessed. Obtained correlation suggested that lipophilicity, shape and bulkiness of the alkyl and cycloalkyl substituents, particular nearest vicinity of the amide nitrogen, as well charges on the amide moiety are the main factors that influence on the acute toxicity of studied compounds toward rats. Mechanism of toxic action was proposed.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Chemosphere",
title = "A QSAR study of acute toxicity of N-substituted fluoroacetamides to rats",
pages = "649-641",
number = "4",
volume = "62",
doi = "10.1016/j.chemosphere.2005.05.005"
}

Juranić, I., Drakulić, B., Petrović, S., Mijin, D.,& Stanković, M.. (2006). A QSAR study of acute toxicity of N-substituted fluoroacetamides to rats. in Chemosphere
Pergamon-Elsevier Science Ltd, Oxford., 62(4), 641-649.
https://doi.org/10.1016/j.chemosphere.2005.05.005

Juranić I, Drakulić B, Petrović S, Mijin D, Stanković M. A QSAR study of acute toxicity of N-substituted fluoroacetamides to rats. in Chemosphere. 2006;62(4):641-649.
doi:10.1016/j.chemosphere.2005.05.005 .

Juranić, Ivan, Drakulić, Branko, Petrović, Slobodan, Mijin, Dušan, Stanković, Miroslav, "A QSAR study of acute toxicity of N-substituted fluoroacetamides to rats" in Chemosphere, 62, no. 4 (2006):641-649,
https://doi.org/10.1016/j.chemosphere.2005.05.005 . .

TY  - JOUR
AU  - Valentić, Nataša
AU  - Vitnik, Željko
AU  - Kozhushkov, Sergei I.
AU  - de Meijere, Armin
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2005
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/823
AB  - Linear free energy relationships (LFER) were applied to the H-1 and C-13 NMR chemical shifts (delta(N), N=H-1 and C-13, respectively) in the unsaturated backbone of cross-conjugated trienes 3-methylene-2-substituted-1,4-pentadienes. The NMR data were correlated using five different LFER models, based on the mono, the dual and the triple substituent parameter (MSP, DSP and TSP, respectively) treatment. The simple and extended Hammett equations, and the three postulated unconventional LFER models obtained by adaptation of the later, were used. The geometry data, which are needed in Karplus-type and McConnell-type analysis, were obtained using semi-empirical MNDO-PM3 calculations. In correlating the data the TSP approach was more successful than the MSP and DSP approaches. The fact that the calculated molecular geometries allow accurate prediction of the NMR data confirms the validity of unconventional LFER models used. These results suggest the s-cis conformation of the cross-conjugated triene as the preferred one. Postulated unconventional DSP and TSP equations enable the assessment of electronic substituent effects in the presence of other interfering influences.
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 of 3-methylene-2-substituted-1,4-pentadienes
EP  - 908
SP  - 901
VL  - 744
DO  - 10.1016/j.molstruc.2004.12.014
ER  - 

@article{
author = "Valentić, Nataša and Vitnik, Željko and Kozhushkov, Sergei I. and de Meijere, Armin and Ušćumlić, Gordana and Juranić, Ivan",
year = "2005",
abstract = "Linear free energy relationships (LFER) were applied to the H-1 and C-13 NMR chemical shifts (delta(N), N=H-1 and C-13, respectively) in the unsaturated backbone of cross-conjugated trienes 3-methylene-2-substituted-1,4-pentadienes. The NMR data were correlated using five different LFER models, based on the mono, the dual and the triple substituent parameter (MSP, DSP and TSP, respectively) treatment. The simple and extended Hammett equations, and the three postulated unconventional LFER models obtained by adaptation of the later, were used. The geometry data, which are needed in Karplus-type and McConnell-type analysis, were obtained using semi-empirical MNDO-PM3 calculations. In correlating the data the TSP approach was more successful than the MSP and DSP approaches. The fact that the calculated molecular geometries allow accurate prediction of the NMR data confirms the validity of unconventional LFER models used. These results suggest the s-cis conformation of the cross-conjugated triene as the preferred one. Postulated unconventional DSP and TSP equations enable the assessment of electronic substituent effects in the presence of other interfering influences.",
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 of 3-methylene-2-substituted-1,4-pentadienes",
pages = "908-901",
volume = "744",
doi = "10.1016/j.molstruc.2004.12.014"
}

Valentić, N., Vitnik, Ž., Kozhushkov, S. I., de Meijere, A., Ušćumlić, G.,& Juranić, I.. (2005). Linear free energy relationships of the H-1 and C-13 NMR chemical shifts of 3-methylene-2-substituted-1,4-pentadienes. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 744, 901-908.
https://doi.org/10.1016/j.molstruc.2004.12.014

Valentić N, Vitnik Ž, Kozhushkov SI, de Meijere A, Ušćumlić G, Juranić I. Linear free energy relationships of the H-1 and C-13 NMR chemical shifts of 3-methylene-2-substituted-1,4-pentadienes. in Journal of Molecular Structure. 2005;744:901-908.
doi:10.1016/j.molstruc.2004.12.014 .

Valentić, Nataša, Vitnik, Željko, Kozhushkov, Sergei I., de Meijere, Armin, Ušćumlić, Gordana, Juranić, Ivan, "Linear free energy relationships of the H-1 and C-13 NMR chemical shifts of 3-methylene-2-substituted-1,4-pentadienes" in Journal of Molecular Structure, 744 (2005):901-908,
https://doi.org/10.1016/j.molstruc.2004.12.014 . .

TY  - JOUR
AU  - Valentić, Nataša
AU  - Vitnik, Željko
AU  - Kozhushkov, Sergei I.
AU  - de Majere, Armin
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2003
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/574
AB  - The principles of linear free energy relationships were applied to the 13C substituent chemical shifts (SCS) of the carbon atoms in the unsaturated chain of 3-methylene-4-substituted-1,4-pentadienes. Correlations of the SCS with the substituent parameters of Swain and Lupton provide a mutually consistent picture of the electronic effects in these compounds. The pattern of the electronic effects can be fully rationalized by a model based on the direct transmission of substituent effects through-space (direct through-space field effects), and via conjugative interactions (resonance effects), or by substituent-induced polarization of the ¶-system in the unsaturated chain (¶-polarization effect). Semi-empirical MNDO-PM3 calculations suggest the s-cis conformation of 3-methylene-4-substituted-1,4-pentadienes as the one with minimal heat of formation.
AB  - Na 13C supstituentska hemijska pomeranja (SHP) ugljenikovih atoma u nezasićenom lancu 3-metilen-4-supstituisanih-1,4-pentadiena su primenjeni principi linearne korelacije slobodne energije. Korelacije SHP sa supstituentskim parametrima Swain-a i Lupton-a pružaju usaglašenu sliku elektronskih efekata u ovim jedinjenjima. Koncept elektronskih efekata može u potpunosti biti objašnjen modelom koji se zasniva na direktnom prenošenju efekata supstituenata kroz prostor (direktni efekti polja kroz prostor) i preko konjugacionih interakcija (rezonancioni efekti), ili putem supstituentom izazvane polarizacije ¶-sistema u nezasićenom lancu (efekti ¶-polarizacije). MNDO-PM3 semiempirijska izračunavanja upućuju na s-cis konformaciju 3-metilen-4-supstituisanih-1,4-pentadiena kao konformaciju sa minimalnom energijom obrazovanja.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1, 4-pentadienes - Part I
T1  - Efekti supstituenata na 13C-NMR hemijska pomeranja 3-metilen-4-supstituisanih-1,4-pentadiena - deo I
EP  - 76
IS  - 2
SP  - 67
VL  - 68
UR  - https://hdl.handle.net/21.15107/rcub_technorep_574
ER  - 

@article{
author = "Valentić, Nataša and Vitnik, Željko and Kozhushkov, Sergei I. and de Majere, Armin and Ušćumlić, Gordana and Juranić, Ivan",
year = "2003",
abstract = "The principles of linear free energy relationships were applied to the 13C substituent chemical shifts (SCS) of the carbon atoms in the unsaturated chain of 3-methylene-4-substituted-1,4-pentadienes. Correlations of the SCS with the substituent parameters of Swain and Lupton provide a mutually consistent picture of the electronic effects in these compounds. The pattern of the electronic effects can be fully rationalized by a model based on the direct transmission of substituent effects through-space (direct through-space field effects), and via conjugative interactions (resonance effects), or by substituent-induced polarization of the ¶-system in the unsaturated chain (¶-polarization effect). Semi-empirical MNDO-PM3 calculations suggest the s-cis conformation of 3-methylene-4-substituted-1,4-pentadienes as the one with minimal heat of formation., Na 13C supstituentska hemijska pomeranja (SHP) ugljenikovih atoma u nezasićenom lancu 3-metilen-4-supstituisanih-1,4-pentadiena su primenjeni principi linearne korelacije slobodne energije. Korelacije SHP sa supstituentskim parametrima Swain-a i Lupton-a pružaju usaglašenu sliku elektronskih efekata u ovim jedinjenjima. Koncept elektronskih efekata može u potpunosti biti objašnjen modelom koji se zasniva na direktnom prenošenju efekata supstituenata kroz prostor (direktni efekti polja kroz prostor) i preko konjugacionih interakcija (rezonancioni efekti), ili putem supstituentom izazvane polarizacije ¶-sistema u nezasićenom lancu (efekti ¶-polarizacije). MNDO-PM3 semiempirijska izračunavanja upućuju na s-cis konformaciju 3-metilen-4-supstituisanih-1,4-pentadiena kao konformaciju sa minimalnom energijom obrazovanja.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1, 4-pentadienes - Part I, Efekti supstituenata na 13C-NMR hemijska pomeranja 3-metilen-4-supstituisanih-1,4-pentadiena - deo I",
pages = "76-67",
number = "2",
volume = "68",
url = "https://hdl.handle.net/21.15107/rcub_technorep_574"
}

Valentić, N., Vitnik, Ž., Kozhushkov, S. I., de Majere, A., Ušćumlić, G.,& Juranić, I.. (2003). Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1, 4-pentadienes - Part I. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 68(2), 67-76.
https://hdl.handle.net/21.15107/rcub_technorep_574

Valentić N, Vitnik Ž, Kozhushkov SI, de Majere A, Ušćumlić G, Juranić I. Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1, 4-pentadienes - Part I. in Journal of the Serbian Chemical Society. 2003;68(2):67-76.
https://hdl.handle.net/21.15107/rcub_technorep_574 .

Valentić, Nataša, Vitnik, Željko, Kozhushkov, Sergei I., de Majere, Armin, Ušćumlić, Gordana, Juranić, Ivan, "Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1, 4-pentadienes - Part I" in Journal of the Serbian Chemical Society, 68, no. 2 (2003):67-76,
https://hdl.handle.net/21.15107/rcub_technorep_574 .

TY  - JOUR
AU  - Jovanović, Bratislav
AU  - Juranić, Ivan
AU  - Mišić-Vuković, Milica
AU  - Brkić, Dominik
AU  - Vitnik, Željko
PY  - 2000
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5332
AB  - Correlation of the data for the reaction of 11 substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane (DDM) in dimethylformamide (DMF) with calculated atomic charges on the carboxylic group showed that the reaction in this solvent may proceed via a concerted transition state.
PB  - Scientific Reviews Ltd.
T2  - Journal of Chemical Research - Part S
T1  - Kinetics and mechanism of the reaction of substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane in dimethylformamide
EP  - 507
IS  - 11
SP  - 506
DO  - 10.3184/030823400103166120
ER  - 

@article{
author = "Jovanović, Bratislav and Juranić, Ivan and Mišić-Vuković, Milica and Brkić, Dominik and Vitnik, Željko",
year = "2000",
abstract = "Correlation of the data for the reaction of 11 substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane (DDM) in dimethylformamide (DMF) with calculated atomic charges on the carboxylic group showed that the reaction in this solvent may proceed via a concerted transition state.",
publisher = "Scientific Reviews Ltd.",
journal = "Journal of Chemical Research - Part S",
title = "Kinetics and mechanism of the reaction of substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane in dimethylformamide",
pages = "507-506",
number = "11",
doi = "10.3184/030823400103166120"
}

Jovanović, B., Juranić, I., Mišić-Vuković, M., Brkić, D.,& Vitnik, Ž.. (2000). Kinetics and mechanism of the reaction of substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane in dimethylformamide. in Journal of Chemical Research - Part S
Scientific Reviews Ltd..(11), 506-507.
https://doi.org/10.3184/030823400103166120

Jovanović B, Juranić I, Mišić-Vuković M, Brkić D, Vitnik Ž. Kinetics and mechanism of the reaction of substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane in dimethylformamide. in Journal of Chemical Research - Part S. 2000;(11):506-507.
doi:10.3184/030823400103166120 .

Jovanović, Bratislav, Juranić, Ivan, Mišić-Vuković, Milica, Brkić, Dominik, Vitnik, Željko, "Kinetics and mechanism of the reaction of substituted 4-pyrimidine carboxylic acids with diazodiphenylmethane in dimethylformamide" in Journal of Chemical Research - Part S, no. 11 (2000):506-507,
https://doi.org/10.3184/030823400103166120 . .

TY  - JOUR
AU  - Stevović, LS
AU  - Drakulić, Branko
AU  - Juranić, Ivan
AU  - Drmanić, Saša
AU  - Jovanović, Bratislav Ž.
PY  - 1999
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/264
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Reactivity of beta-aroylacrylic acids with diazodiphenylmethane (vol 63, pg 359, 1998)
EP  - 495
IS  - 7-8
SP  - 495
VL  - 64
UR  - https://hdl.handle.net/21.15107/rcub_technorep_264
ER  - 

@article{
author = "Stevović, LS and Drakulić, Branko and Juranić, Ivan and Drmanić, Saša and Jovanović, Bratislav Ž.",
year = "1999",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Reactivity of beta-aroylacrylic acids with diazodiphenylmethane (vol 63, pg 359, 1998)",
pages = "495-495",
number = "7-8",
volume = "64",
url = "https://hdl.handle.net/21.15107/rcub_technorep_264"
}

Stevović, L., Drakulić, B., Juranić, I., Drmanić, S.,& Jovanović, B. Ž.. (1999). Reactivity of beta-aroylacrylic acids with diazodiphenylmethane (vol 63, pg 359, 1998). in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 64(7-8), 495-495.
https://hdl.handle.net/21.15107/rcub_technorep_264

Stevović L, Drakulić B, Juranić I, Drmanić S, Jovanović BŽ. Reactivity of beta-aroylacrylic acids with diazodiphenylmethane (vol 63, pg 359, 1998). in Journal of the Serbian Chemical Society. 1999;64(7-8):495-495.
https://hdl.handle.net/21.15107/rcub_technorep_264 .

Stevović, LS, Drakulić, Branko, Juranić, Ivan, Drmanić, Saša, Jovanović, Bratislav Ž., "Reactivity of beta-aroylacrylic acids with diazodiphenylmethane (vol 63, pg 359, 1998)" in Journal of the Serbian Chemical Society, 64, no. 7-8 (1999):495-495,
https://hdl.handle.net/21.15107/rcub_technorep_264 .

TY  - JOUR
AU  - Stevović, Ljubomir S.
AU  - Drakulić, Branko
AU  - Juranić, Ivan
AU  - Drmanić, Saša
AU  - Jovanović, Bratislav Ž.
PY  - 1998
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/157
AB  - The rate constants for 10 trans-substituted beta-aroylacrylic acids in their reaction with diazodiphenylmethane (DDM) were determined in ethanol at 30 degrees C. The intention was to study the transmission of electronic effects of substituents on the phenyl nuclei to the carboxylic group reaction center, through the -C(=O)-CH=CH-group. The obtained rate constants were analyzed with the classical Hammett equation and the extended Hammett and Taft equation. It was possible, using Taft's relationship, to effect the separation of the overall polar effect into inductive and resonance components. The pattern of transmission through the observed conjugated system has been discussed. Conformational variations caused by variable substituents in an aromatic ring were calculated using the MNDO-AM I semiempirical method. The inclusion of a calculated conformational effect considerably improves the regression.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Reactivity of beta-aroylacrylic acids with diazodiphenylmethane
EP  - 365
IS  - 5
SP  - 359
VL  - 63
UR  - https://hdl.handle.net/21.15107/rcub_technorep_157
ER  - 

@article{
author = "Stevović, Ljubomir S. and Drakulić, Branko and Juranić, Ivan and Drmanić, Saša and Jovanović, Bratislav Ž.",
year = "1998",
abstract = "The rate constants for 10 trans-substituted beta-aroylacrylic acids in their reaction with diazodiphenylmethane (DDM) were determined in ethanol at 30 degrees C. The intention was to study the transmission of electronic effects of substituents on the phenyl nuclei to the carboxylic group reaction center, through the -C(=O)-CH=CH-group. The obtained rate constants were analyzed with the classical Hammett equation and the extended Hammett and Taft equation. It was possible, using Taft's relationship, to effect the separation of the overall polar effect into inductive and resonance components. The pattern of transmission through the observed conjugated system has been discussed. Conformational variations caused by variable substituents in an aromatic ring were calculated using the MNDO-AM I semiempirical method. The inclusion of a calculated conformational effect considerably improves the regression.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Reactivity of beta-aroylacrylic acids with diazodiphenylmethane",
pages = "365-359",
number = "5",
volume = "63",
url = "https://hdl.handle.net/21.15107/rcub_technorep_157"
}

Stevović, L. S., Drakulić, B., Juranić, I., Drmanić, S.,& Jovanović, B. Ž.. (1998). Reactivity of beta-aroylacrylic acids with diazodiphenylmethane. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 63(5), 359-365.
https://hdl.handle.net/21.15107/rcub_technorep_157

Stevović LS, Drakulić B, Juranić I, Drmanić S, Jovanović BŽ. Reactivity of beta-aroylacrylic acids with diazodiphenylmethane. in Journal of the Serbian Chemical Society. 1998;63(5):359-365.
https://hdl.handle.net/21.15107/rcub_technorep_157 .

Stevović, Ljubomir S., Drakulić, Branko, Juranić, Ivan, Drmanić, Saša, Jovanović, Bratislav Ž., "Reactivity of beta-aroylacrylic acids with diazodiphenylmethane" in Journal of the Serbian Chemical Society, 63, no. 5 (1998):359-365,
https://hdl.handle.net/21.15107/rcub_technorep_157 .