Drakulić, Branko

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orcid::0000-0002-3571-3153
  • Drakulić, Branko (5)
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Author's Bibliography

Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands

Sovilj, Sofija P.; Mitić, Dragana; Drakulić, Branko; Milenković, Marina

(Srpsko hemijsko društvo, Beograd, 2012)

TY  - JOUR
AU  - Sovilj, Sofija P.
AU  - Mitić, Dragana
AU  - Drakulić, Branko
AU  - Milenković, Marina
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1819
AB  - Five new dioxomolybdenum(VI) complexes of the general formula [MoO2(Rdtc)2], 1-5, where Rdtc- refer to piperidine (Pipdtc), 4-morpholine (Morphdtc), 4-thiomorpholine (Timdtc), piperazine (Pzdtc) or N-methylpiperazine (N-Mepzdtc) dithiocarbamates, respectively, have been prepared. The complexes were characterized by elemental analysis, conductometric measurements, electronic, IR and NMR spectroscopy. The complexes 1-5 contain a cis-MoO2 group and have an octahedral geometry. Two dithiocarbamato ions join as bidentates with both the sulfur atoms to the molybdenum atom. The presence of different heteroatoms in the piperidino moiety influences the v(C=N) and v(C=S) vibrations, which wavelengths decrease in the order: Pipdtc > N-Mepzdtc > Morphdtc > Pzdtc > Timdtc ligands. Based on their spectral data, the molecular structures of complexes 1-5 were optimized at the semi-empirical molecular-orbital level, and the geometries, as obtained from calculations, are described. The antimicrobial activities of the complexes were tested against nine different laboratory control strains of bacteria and two strains of the yeast Candida albicans. All the tested strains were sensitive. Complexes bearing heteroatom in position 4 of piperidine moiety were significantly more potent against the tested bacteria compared to the corresponding ligands.
AB  - Sintetisano je pet novih dioksomolibden(VI) kompleksa, opšte formule [MoO2(Rdtc-)2], sa Rdtc- ligandima: piperidin- (Pipdtc), 4-morfolin- (Morphdtc), 4-tiomorfolin- (Timdtc), piperazin- (Pzdtc) i N-metilpiperazin- (N-Mepzdtc) ditiokarbamatima. Kompleksi su okarakterisani elementalnom analizom, IR i NMR spektroskopijom kao i merenjem molarne provodljivosti. Pretpostavljena geometrija svih kompleksa je oktaedarska. Rdtc- ligandi su bidentatno koordinovani preko oba atoma sumpora za atom molibdena. Prisustvo različitih heteroatoma utiče na promenu položaja v(C=N) i v(C=S) vibracija, čiji opada sledećim redom liganada: Pipdtc > N-Mepzdtc > Morphdt > Pzdtc > Timdtc. Na osnovu spektralnih podataka, strukture svih kompleksa su optimizovane na semiempirijskom molekulsko-orbitalnom nivou upotrebom PM6 metoda. Antimikrobna aktivnost ispitivana je na jedanaest različitih patogena. Uočeno je da kompleksi koji imaju heteroatom u položaju 4 piperidinskog prstena ispoljavaju značajno veću jačinu antimikrobnog dejstva prema bakterijama, u poređenju sa odgovarajućim ligandima.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands
T1  - Spektroskopska svojstva i antimikrobna aktivnost dioksomolibden(VI) kompleksa sa heterocikličnim S,S'-ligandima
VL  - 77
IS  - 1
SP  - 53
EP  - 66
DO  - 10.2298/JSC110328160S
ER  - 
@article{
author = "Sovilj, Sofija P. and Mitić, Dragana and Drakulić, Branko and Milenković, Marina",
year = "2012",
abstract = "Five new dioxomolybdenum(VI) complexes of the general formula [MoO2(Rdtc)2], 1-5, where Rdtc- refer to piperidine (Pipdtc), 4-morpholine (Morphdtc), 4-thiomorpholine (Timdtc), piperazine (Pzdtc) or N-methylpiperazine (N-Mepzdtc) dithiocarbamates, respectively, have been prepared. The complexes were characterized by elemental analysis, conductometric measurements, electronic, IR and NMR spectroscopy. The complexes 1-5 contain a cis-MoO2 group and have an octahedral geometry. Two dithiocarbamato ions join as bidentates with both the sulfur atoms to the molybdenum atom. The presence of different heteroatoms in the piperidino moiety influences the v(C=N) and v(C=S) vibrations, which wavelengths decrease in the order: Pipdtc > N-Mepzdtc > Morphdtc > Pzdtc > Timdtc ligands. Based on their spectral data, the molecular structures of complexes 1-5 were optimized at the semi-empirical molecular-orbital level, and the geometries, as obtained from calculations, are described. The antimicrobial activities of the complexes were tested against nine different laboratory control strains of bacteria and two strains of the yeast Candida albicans. All the tested strains were sensitive. Complexes bearing heteroatom in position 4 of piperidine moiety were significantly more potent against the tested bacteria compared to the corresponding ligands., Sintetisano je pet novih dioksomolibden(VI) kompleksa, opšte formule [MoO2(Rdtc-)2], sa Rdtc- ligandima: piperidin- (Pipdtc), 4-morfolin- (Morphdtc), 4-tiomorfolin- (Timdtc), piperazin- (Pzdtc) i N-metilpiperazin- (N-Mepzdtc) ditiokarbamatima. Kompleksi su okarakterisani elementalnom analizom, IR i NMR spektroskopijom kao i merenjem molarne provodljivosti. Pretpostavljena geometrija svih kompleksa je oktaedarska. Rdtc- ligandi su bidentatno koordinovani preko oba atoma sumpora za atom molibdena. Prisustvo različitih heteroatoma utiče na promenu položaja v(C=N) i v(C=S) vibracija, čiji opada sledećim redom liganada: Pipdtc > N-Mepzdtc > Morphdt > Pzdtc > Timdtc. Na osnovu spektralnih podataka, strukture svih kompleksa su optimizovane na semiempirijskom molekulsko-orbitalnom nivou upotrebom PM6 metoda. Antimikrobna aktivnost ispitivana je na jedanaest različitih patogena. Uočeno je da kompleksi koji imaju heteroatom u položaju 4 piperidinskog prstena ispoljavaju značajno veću jačinu antimikrobnog dejstva prema bakterijama, u poređenju sa odgovarajućim ligandima.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands, Spektroskopska svojstva i antimikrobna aktivnost dioksomolibden(VI) kompleksa sa heterocikličnim S,S'-ligandima",
volume = "77",
number = "1",
pages = "53-66",
doi = "10.2298/JSC110328160S"
}
Sovilj, S. P., Mitić, D., Drakulić, B.,& Milenković, M.. (2012). Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 77(1), 53-66.
https://doi.org/10.2298/JSC110328160S
Sovilj SP, Mitić D, Drakulić B, Milenković M. Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands. in Journal of the Serbian Chemical Society. 2012;77(1):53-66.
doi:10.2298/JSC110328160S .
Sovilj, Sofija P., Mitić, Dragana, Drakulić, Branko, Milenković, Marina, "Spectroscopic properties and antimicrobial activity of dioxomolybdenum(VI) complexes with heterocyclic S,S'-ligands" in Journal of the Serbian Chemical Society, 77, no. 1 (2012):53-66,
https://doi.org/10.2298/JSC110328160S . .
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Role of complexes formation between drugs and penetration enhancers in transdermal delivery

Drakulić, Branko; Juranić, Ivan O.; Erić, Slavica; Zloh, Mire

(Elsevier Science BV, Amsterdam, 2008)

TY  - JOUR
AU  - Drakulić, Branko
AU  - Juranić, Ivan O.
AU  - Erić, Slavica
AU  - Zloh, Mire
PY  - 2008
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1029
AB  - The use of chemical penetration enhancers (CPE) is growing due to their ability to improve drug delivery through the skin. A possible mechanism of penetration enhancement could involve the complex formation between drug and components in the pharmaceutical formulation, thus altering the physicochemical properties of the active substance. Here, modelling studies indicate that hydrocarbon and oxygen-containing terpenes (penetration enhancers) could form complexes with drugs. Satisfactory correlations have been obtained between the predicted molecular properties of enhancers and their enhancement effects. Crown Copyright
PB  - Elsevier Science BV, Amsterdam
T2  - International Journal of Pharmaceutics
T1  - Role of complexes formation between drugs and penetration enhancers in transdermal delivery
VL  - 363
IS  - 1-2
SP  - 40
EP  - 49
DO  - 10.1016/j.ijpharm.2008.06.032
ER  - 
@article{
author = "Drakulić, Branko and Juranić, Ivan O. and Erić, Slavica and Zloh, Mire",
year = "2008",
abstract = "The use of chemical penetration enhancers (CPE) is growing due to their ability to improve drug delivery through the skin. A possible mechanism of penetration enhancement could involve the complex formation between drug and components in the pharmaceutical formulation, thus altering the physicochemical properties of the active substance. Here, modelling studies indicate that hydrocarbon and oxygen-containing terpenes (penetration enhancers) could form complexes with drugs. Satisfactory correlations have been obtained between the predicted molecular properties of enhancers and their enhancement effects. Crown Copyright",
publisher = "Elsevier Science BV, Amsterdam",
journal = "International Journal of Pharmaceutics",
title = "Role of complexes formation between drugs and penetration enhancers in transdermal delivery",
volume = "363",
number = "1-2",
pages = "40-49",
doi = "10.1016/j.ijpharm.2008.06.032"
}
Drakulić, B., Juranić, I. O., Erić, S.,& Zloh, M.. (2008). Role of complexes formation between drugs and penetration enhancers in transdermal delivery. in International Journal of Pharmaceutics
Elsevier Science BV, Amsterdam., 363(1-2), 40-49.
https://doi.org/10.1016/j.ijpharm.2008.06.032
Drakulić B, Juranić IO, Erić S, Zloh M. Role of complexes formation between drugs and penetration enhancers in transdermal delivery. in International Journal of Pharmaceutics. 2008;363(1-2):40-49.
doi:10.1016/j.ijpharm.2008.06.032 .
Drakulić, Branko, Juranić, Ivan O., Erić, Slavica, Zloh, Mire, "Role of complexes formation between drugs and penetration enhancers in transdermal delivery" in International Journal of Pharmaceutics, 363, no. 1-2 (2008):40-49,
https://doi.org/10.1016/j.ijpharm.2008.06.032 . .
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An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions

Verbić, Tatjana Ž.; Drakulić, Branko; Zloh, Mire; Pecelj, Jovana R.; Popović, Gordana; Juranić, Ivan O.

(Srpsko hemijsko društvo, Beograd, 2007)

TY  - JOUR
AU  - Verbić, Tatjana Ž.
AU  - Drakulić, Branko
AU  - Zloh, Mire
AU  - Pecelj, Jovana R.
AU  - Popović, Gordana
AU  - Juranić, Ivan O.
PY  - 2007
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/997
AB  - The protolytic equilibria of 13 4-aryl-2,4-dioxobutanoic acids (ADKs) were spectrophotometrically studied in aqueous solutions in the pH range 1-9 at 25±1 °C and an ionic strength of 0.1 mol l-1 (NaCl), with the exception of the 4-OH-derivative which was also potentiometrically studied in the pH range 7-10 at 25±1 °C and an ionic strength of 0.1 mol l-1 (NaCl). In solution, the compounds simultaneously exist in one diketo and two enolic forms; therefore, the determined acidity constants (pKa1 1.87-2.29, pKa2 6.63-8.13 and pKa3(4-OH-) 9.52) represent system macro constants. The 1H-NMR spectrum of the parent compound (4-phenyl- -2,4-dioxobutanoic acid) (25 °C, pD 5.0) proved the existence of all tautomeric forms. Using the extended Hammett relation, the determined pKa values were correlated with literature σ values. The predicted pKa values were in fair accordance with the experimentally observed ones. Molecular, monoanionic and dianionic forms of the parent compound were optimized by the semi-empirical molecular orbital PM6 method using the implicit water solvation model (COSMO). The obtained geometries were used to explain the quality of the LFER models.
AB  - Protolitičke ravnoteže 13 jedinjenja iz klase 4-aril-2,4-dioksobutanskih kiselina (ADK) spektrofotometrijski su proučavane u vodenim rastvorima u pH intervalu 1-9 pri temperaturi 25±1 °C i jonskoj jačini rastvora 0.1 mol l-1 (NaCl), sa izuzetkom 4-OH-derivata koji je proučavan i potenciometrijski u pH intervalu 7-10 pri istim uslovima. Kako ADK u vodenom rastvoru podležu keto-enolnoj tautomeriji i istovremeno postoje u diketo i dva enolna oblika, to određene kiselinske konstante (pKa1 1.87-2.29, pKa2 6.63-8.13 i pKa3(4-OH-) 9.52) predstavljaju makro konstante za dati sistem. 1H-NMR spektar osnovne supstance (4-fenil-2,4-dioksobutanska kiselina) (25 °C, pD 5.0) potvrđuje prisustvo svih tautomernih oblika. Upotrebom proširene Hametove korelacije, određene pKa vrednosti korelisane su sa literaturnim σ vrednostima. Predviđene pKa vrednosti dobro se slažu sa eksperimentalno dobijenim. Molekulski, monoanjonski i dianjonski oblici osnovne supstance su optimizovani semiempirijskom molekulsko-orbitalnom PM6 metodom sa implicitnim modelom solvatacije u vodi (COSMO). Dobijene geometrije su upotrebljene za objašnjenje kvaliteta LFER modela.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions
T1  - Linearne korelacije slobodne energije (LFER) protolitičkih ravnoteža 4-aril-2,4-dioksobutanskih kiselina u vodenim rastvorima
VL  - 72
IS  - 12
SP  - 1201
EP  - 1216
DO  - 10.2298/JSC0712201V
ER  - 
@article{
author = "Verbić, Tatjana Ž. and Drakulić, Branko and Zloh, Mire and Pecelj, Jovana R. and Popović, Gordana and Juranić, Ivan O.",
year = "2007",
abstract = "The protolytic equilibria of 13 4-aryl-2,4-dioxobutanoic acids (ADKs) were spectrophotometrically studied in aqueous solutions in the pH range 1-9 at 25±1 °C and an ionic strength of 0.1 mol l-1 (NaCl), with the exception of the 4-OH-derivative which was also potentiometrically studied in the pH range 7-10 at 25±1 °C and an ionic strength of 0.1 mol l-1 (NaCl). In solution, the compounds simultaneously exist in one diketo and two enolic forms; therefore, the determined acidity constants (pKa1 1.87-2.29, pKa2 6.63-8.13 and pKa3(4-OH-) 9.52) represent system macro constants. The 1H-NMR spectrum of the parent compound (4-phenyl- -2,4-dioxobutanoic acid) (25 °C, pD 5.0) proved the existence of all tautomeric forms. Using the extended Hammett relation, the determined pKa values were correlated with literature σ values. The predicted pKa values were in fair accordance with the experimentally observed ones. Molecular, monoanionic and dianionic forms of the parent compound were optimized by the semi-empirical molecular orbital PM6 method using the implicit water solvation model (COSMO). The obtained geometries were used to explain the quality of the LFER models., Protolitičke ravnoteže 13 jedinjenja iz klase 4-aril-2,4-dioksobutanskih kiselina (ADK) spektrofotometrijski su proučavane u vodenim rastvorima u pH intervalu 1-9 pri temperaturi 25±1 °C i jonskoj jačini rastvora 0.1 mol l-1 (NaCl), sa izuzetkom 4-OH-derivata koji je proučavan i potenciometrijski u pH intervalu 7-10 pri istim uslovima. Kako ADK u vodenom rastvoru podležu keto-enolnoj tautomeriji i istovremeno postoje u diketo i dva enolna oblika, to određene kiselinske konstante (pKa1 1.87-2.29, pKa2 6.63-8.13 i pKa3(4-OH-) 9.52) predstavljaju makro konstante za dati sistem. 1H-NMR spektar osnovne supstance (4-fenil-2,4-dioksobutanska kiselina) (25 °C, pD 5.0) potvrđuje prisustvo svih tautomernih oblika. Upotrebom proširene Hametove korelacije, određene pKa vrednosti korelisane su sa literaturnim σ vrednostima. Predviđene pKa vrednosti dobro se slažu sa eksperimentalno dobijenim. Molekulski, monoanjonski i dianjonski oblici osnovne supstance su optimizovani semiempirijskom molekulsko-orbitalnom PM6 metodom sa implicitnim modelom solvatacije u vodi (COSMO). Dobijene geometrije su upotrebljene za objašnjenje kvaliteta LFER modela.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions, Linearne korelacije slobodne energije (LFER) protolitičkih ravnoteža 4-aril-2,4-dioksobutanskih kiselina u vodenim rastvorima",
volume = "72",
number = "12",
pages = "1201-1216",
doi = "10.2298/JSC0712201V"
}
Verbić, T. Ž., Drakulić, B., Zloh, M., Pecelj, J. R., Popović, G.,& Juranić, I. O.. (2007). An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 72(12), 1201-1216.
https://doi.org/10.2298/JSC0712201V
Verbić TŽ, Drakulić B, Zloh M, Pecelj JR, Popović G, Juranić IO. An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions. in Journal of the Serbian Chemical Society. 2007;72(12):1201-1216.
doi:10.2298/JSC0712201V .
Verbić, Tatjana Ž., Drakulić, Branko, Zloh, Mire, Pecelj, Jovana R., Popović, Gordana, Juranić, Ivan O., "An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions" in Journal of the Serbian Chemical Society, 72, no. 12 (2007):1201-1216,
https://doi.org/10.2298/JSC0712201V . .
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16
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Determination of all pK(a) values of some di- and tri-carboxylic unsaturated and epoxy acids and their polylinear correlation with the carboxylic group atomic charges

Pfendt, Lidija; Dražić, Branka; Popović, Gordana; Drakulić, Branko; Vitnik, Željko J.; Juranić, Ivan O.

(Scientific Reviews Ltd., 2003)

TY  - JOUR
AU  - Pfendt, Lidija
AU  - Dražić, Branka
AU  - Popović, Gordana
AU  - Drakulić, Branko
AU  - Vitnik, Željko J.
AU  - Juranić, Ivan O.
PY  - 2003
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/457
AB  - For a series of seven unsaturated and seven epoxy di- and tricarboxylic acids, pK(a)(a) values were determined potentiometrically in aqueous media at 25 degreesC and an ionic strength of 0.1 M (NaCl). The thermodynamic pKaa values were correlated with the atomic charges of carboxylic group calculated by the MNDO-PM3 semiempirical MO method.
PB  - Scientific Reviews Ltd.
T2  - Journal of Chemical Research - Part S
T1  - Determination of all pK(a) values of some di- and tri-carboxylic unsaturated and epoxy acids and their polylinear correlation with the carboxylic group atomic charges
IS  - 5
SP  - 247
EP  - 248
UR  - https://hdl.handle.net/21.15107/rcub_farfar_457
ER  - 
@article{
author = "Pfendt, Lidija and Dražić, Branka and Popović, Gordana and Drakulić, Branko and Vitnik, Željko J. and Juranić, Ivan O.",
year = "2003",
abstract = "For a series of seven unsaturated and seven epoxy di- and tricarboxylic acids, pK(a)(a) values were determined potentiometrically in aqueous media at 25 degreesC and an ionic strength of 0.1 M (NaCl). The thermodynamic pKaa values were correlated with the atomic charges of carboxylic group calculated by the MNDO-PM3 semiempirical MO method.",
publisher = "Scientific Reviews Ltd.",
journal = "Journal of Chemical Research - Part S",
title = "Determination of all pK(a) values of some di- and tri-carboxylic unsaturated and epoxy acids and their polylinear correlation with the carboxylic group atomic charges",
number = "5",
pages = "247-248",
url = "https://hdl.handle.net/21.15107/rcub_farfar_457"
}
Pfendt, L., Dražić, B., Popović, G., Drakulić, B., Vitnik, Ž. J.,& Juranić, I. O.. (2003). Determination of all pK(a) values of some di- and tri-carboxylic unsaturated and epoxy acids and their polylinear correlation with the carboxylic group atomic charges. in Journal of Chemical Research - Part S
Scientific Reviews Ltd..(5), 247-248.
https://hdl.handle.net/21.15107/rcub_farfar_457
Pfendt L, Dražić B, Popović G, Drakulić B, Vitnik ŽJ, Juranić IO. Determination of all pK(a) values of some di- and tri-carboxylic unsaturated and epoxy acids and their polylinear correlation with the carboxylic group atomic charges. in Journal of Chemical Research - Part S. 2003;(5):247-248.
https://hdl.handle.net/21.15107/rcub_farfar_457 .
Pfendt, Lidija, Dražić, Branka, Popović, Gordana, Drakulić, Branko, Vitnik, Željko J., Juranić, Ivan O., "Determination of all pK(a) values of some di- and tri-carboxylic unsaturated and epoxy acids and their polylinear correlation with the carboxylic group atomic charges" in Journal of Chemical Research - Part S, no. 5 (2003):247-248,
https://hdl.handle.net/21.15107/rcub_farfar_457 .
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Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids

Pfendt, Lidija; Popović, Gordana; Kostić, M.; Stevović, Lj.; Drakulić, Branko; Juranić, Ivan O.

(Srpsko hemijsko društvo, Beograd, 2000)

TY  - JOUR
AU  - Pfendt, Lidija
AU  - Popović, Gordana
AU  - Kostić, M.
AU  - Stevović, Lj.
AU  - Drakulić, Branko
AU  - Juranić, Ivan O.
PY  - 2000
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/269
AB  - The pKa values for a series of eight p-substituted trans-2,3-epoxy-4-phenyl butanoic acids (p-substituted trans-β-aroylepoxyacrylic acids) have been determined potentiometrically in aqueous media at 25 °C at an ionic strength of 0.1 mol/dm3 (NaCl). The transmission of polar effects from the substituents on the phenyl nucleus to the carboxylic group through the side chain involving a carbonyl group and an epoxide ring was investigated. The pKa values were correlated with structure using the Hammett, Taft and Yukawa-Tsuno approaches. The Hammett ρ constant (0.34) was compared with analogue values for structurally similar acids.
AB  - Određene su pKa vrednosti za seriju od osam p-supstituisanih trans-2,3-epoksi-4-okso-4-fenilbutanskih kiselina (p-supstituisanih trans-β-aroilepoksiakrilnih kiselina). Vrednosti su određene potenciometrijski u vodenoj sredini na 25 °C i jonskoj sili 0.1 mol/dm3 (NaCl). Proučavan je prenos polarnih efekata sa supstituenata na fenil jezgru ka karboksilnoj grupi kroz bočni niz koji sadrži karbonilnu grupu i epoksidni prsten. pKa vrednosti su korelisane sa strukturom primenom Hammett-ovog, Taft-ovog i Yukawa-Tsuno-ovog pristupa. Hammett-ova ρ konstanta (0,34) je upoređena sa analognim vrednostima za strukturno slične kiseline.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids
T1  - Određivanje pKa vrednosti i korelacija sa strukturom p-supstituisanih trans-2,3-epoksi-4-okso-4-fenilbutanskih kiselina
VL  - 65
IS  - 11
SP  - 781
EP  - 788
UR  - https://hdl.handle.net/21.15107/rcub_farfar_269
ER  - 
@article{
author = "Pfendt, Lidija and Popović, Gordana and Kostić, M. and Stevović, Lj. and Drakulić, Branko and Juranić, Ivan O.",
year = "2000",
abstract = "The pKa values for a series of eight p-substituted trans-2,3-epoxy-4-phenyl butanoic acids (p-substituted trans-β-aroylepoxyacrylic acids) have been determined potentiometrically in aqueous media at 25 °C at an ionic strength of 0.1 mol/dm3 (NaCl). The transmission of polar effects from the substituents on the phenyl nucleus to the carboxylic group through the side chain involving a carbonyl group and an epoxide ring was investigated. The pKa values were correlated with structure using the Hammett, Taft and Yukawa-Tsuno approaches. The Hammett ρ constant (0.34) was compared with analogue values for structurally similar acids., Određene su pKa vrednosti za seriju od osam p-supstituisanih trans-2,3-epoksi-4-okso-4-fenilbutanskih kiselina (p-supstituisanih trans-β-aroilepoksiakrilnih kiselina). Vrednosti su određene potenciometrijski u vodenoj sredini na 25 °C i jonskoj sili 0.1 mol/dm3 (NaCl). Proučavan je prenos polarnih efekata sa supstituenata na fenil jezgru ka karboksilnoj grupi kroz bočni niz koji sadrži karbonilnu grupu i epoksidni prsten. pKa vrednosti su korelisane sa strukturom primenom Hammett-ovog, Taft-ovog i Yukawa-Tsuno-ovog pristupa. Hammett-ova ρ konstanta (0,34) je upoređena sa analognim vrednostima za strukturno slične kiseline.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids, Određivanje pKa vrednosti i korelacija sa strukturom p-supstituisanih trans-2,3-epoksi-4-okso-4-fenilbutanskih kiselina",
volume = "65",
number = "11",
pages = "781-788",
url = "https://hdl.handle.net/21.15107/rcub_farfar_269"
}
Pfendt, L., Popović, G., Kostić, M., Stevović, Lj., Drakulić, B.,& Juranić, I. O.. (2000). Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 65(11), 781-788.
https://hdl.handle.net/21.15107/rcub_farfar_269
Pfendt L, Popović G, Kostić M, Stevović L, Drakulić B, Juranić IO. Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids. in Journal of the Serbian Chemical Society. 2000;65(11):781-788.
https://hdl.handle.net/21.15107/rcub_farfar_269 .
Pfendt, Lidija, Popović, Gordana, Kostić, M., Stevović, Lj., Drakulić, Branko, Juranić, Ivan O., "Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids" in Journal of the Serbian Chemical Society, 65, no. 11 (2000):781-788,
https://hdl.handle.net/21.15107/rcub_farfar_269 .
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