TY  - JOUR
AU  - Džodić, Predrag
AU  - Živanović, Ljiljana
AU  - Protić, Ana
AU  - Zečević, Mira
AU  - Jocić, Biljana
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1341
AB  - An accurate and precise RP-HPLC method was developed and validated for the determination of carbamazepine and its impurities iminostilbene and iminodibenzyl in a tablet formulation with fluphenazine as an internal standard. Buffer methanol (50 + 50, v/v) was used as the mobile phase. During validation, specificity, linearity, precision, accuracy, LOD, LOQ, and robustness of the method were tested. The method was proven to be specific against placebo interference. Linearity was evaluated over the concentration range of 100-500, 0.05-0.25, and 0.1-0.5 mu g/mL, and the r values were 0.9994, 0.9997, and 0.9979 for carbamazepine, iminostilbene, and iminodibenzyl, respectively. Intraday precision of the method was good, and RSD was below 2% for all analytes. The accuracy of the method ranged from 100.69 to 102.10, 99.76 to 102.66, and 99.26 to 100.08% for carbamazepine, iminostilbene, and iminodibenzyl, respectively. LOD was 0.0125, 0.025, and 0.05 mu g/mL and LOQ was 0.05, 0.05, and 0.1 mu g/mL for carbamazepine, iminostilbene, and iminodibenzyl, respectively. Robustness of the method was proven by using a chemometric approach. The method was successfully applied to the analysis of commercially available carbamazepine tablets and showed good repeatability, with RSD below 2%.
PB  - AOAC Int, Gaithersburg
T2  - Journal of AOAC International
T1  - Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form by Column High-Performance Liquid Chromatography
VL  - 93
IS  - 4
SP  - 1059
EP  - 1068
DO  - 10.1093/jaoac/93.4.1059
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1341
ER  - 

@article{
author = "Džodić, Predrag and Živanović, Ljiljana and Protić, Ana and Zečević, Mira and Jocić, Biljana",
year = "2010",
abstract = "An accurate and precise RP-HPLC method was developed and validated for the determination of carbamazepine and its impurities iminostilbene and iminodibenzyl in a tablet formulation with fluphenazine as an internal standard. Buffer methanol (50 + 50, v/v) was used as the mobile phase. During validation, specificity, linearity, precision, accuracy, LOD, LOQ, and robustness of the method were tested. The method was proven to be specific against placebo interference. Linearity was evaluated over the concentration range of 100-500, 0.05-0.25, and 0.1-0.5 mu g/mL, and the r values were 0.9994, 0.9997, and 0.9979 for carbamazepine, iminostilbene, and iminodibenzyl, respectively. Intraday precision of the method was good, and RSD was below 2% for all analytes. The accuracy of the method ranged from 100.69 to 102.10, 99.76 to 102.66, and 99.26 to 100.08% for carbamazepine, iminostilbene, and iminodibenzyl, respectively. LOD was 0.0125, 0.025, and 0.05 mu g/mL and LOQ was 0.05, 0.05, and 0.1 mu g/mL for carbamazepine, iminostilbene, and iminodibenzyl, respectively. Robustness of the method was proven by using a chemometric approach. The method was successfully applied to the analysis of commercially available carbamazepine tablets and showed good repeatability, with RSD below 2%.",
publisher = "AOAC Int, Gaithersburg",
journal = "Journal of AOAC International",
title = "Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form by Column High-Performance Liquid Chromatography",
volume = "93",
number = "4",
pages = "1059-1068",
doi = "10.1093/jaoac/93.4.1059",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1341"
}

Džodić, P., Živanović, L., Protić, A., Zečević, M.,& Jocić, B.. (2010). Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form by Column High-Performance Liquid Chromatography. in Journal of AOAC International
AOAC Int, Gaithersburg., 93(4), 1059-1068.
https://doi.org/10.1093/jaoac/93.4.1059
https://hdl.handle.net/21.15107/rcub_farfar_1341

Džodić P, Živanović L, Protić A, Zečević M, Jocić B. Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form by Column High-Performance Liquid Chromatography. in Journal of AOAC International. 2010;93(4):1059-1068.
doi:10.1093/jaoac/93.4.1059
https://hdl.handle.net/21.15107/rcub_farfar_1341 .

Džodić, Predrag, Živanović, Ljiljana, Protić, Ana, Zečević, Mira, Jocić, Biljana, "Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form by Column High-Performance Liquid Chromatography" in Journal of AOAC International, 93, no. 4 (2010):1059-1068,
https://doi.org/10.1093/jaoac/93.4.1059 .,
https://hdl.handle.net/21.15107/rcub_farfar_1341 .

TY  - JOUR
AU  - Letica, Jelena
AU  - Marković, Slavko
AU  - Zirojević, Jelena
AU  - Nikolić, Katarina
AU  - Agbaba, Danica
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1334
AB  - An RP-HPLC method for simultaneous separation and quantification of pantoprazole and its five main impurities in pharmaceutical formulations was developed and validated. The separation was accomplished on a Zorbax Eclipse XDB C18 column (5 mu m particle size, 150 x 4.6 mm id) using a gradient with mobile phase A [buffer-acetonitrile (70 + 30, v/v)], and mobile phase B [buffer-acetonitrile (30 + 70, v/v)]. The buffer was 0.01 M ammonium acetate solution with addition of 1 mL triethylamine/L of the solution, adjusted to pH 4.5 with orthophosphoric acid. The eluent flow rate was 1 mL/min, the temperature of the column was 30 C, and the eluate was monitored at 290 nm. Linearity (r = 0.999), recovery (97.6-105.8%), RSD (0.55-1.90%), and LOQ (0.099-1.48 mu g/mL) were evaluated and found to be satisfactory. The proposed method can be used for simultaneous identification and quantification of the analyzed compounds in pharmaceutical formulations.
PB  - AOAC Int, Gaithersburg
T2  - Journal of AOAC International
T1  - High-Performance Liquid Chromatographic Determination of Pantoprazole and Its Main Impurities in Pharmaceuticals
VL  - 93
IS  - 4
SP  - 1121
EP  - 1128
DO  - 10.1093/jaoac/93.4.1121
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1334
ER  - 

@article{
author = "Letica, Jelena and Marković, Slavko and Zirojević, Jelena and Nikolić, Katarina and Agbaba, Danica",
year = "2010",
abstract = "An RP-HPLC method for simultaneous separation and quantification of pantoprazole and its five main impurities in pharmaceutical formulations was developed and validated. The separation was accomplished on a Zorbax Eclipse XDB C18 column (5 mu m particle size, 150 x 4.6 mm id) using a gradient with mobile phase A [buffer-acetonitrile (70 + 30, v/v)], and mobile phase B [buffer-acetonitrile (30 + 70, v/v)]. The buffer was 0.01 M ammonium acetate solution with addition of 1 mL triethylamine/L of the solution, adjusted to pH 4.5 with orthophosphoric acid. The eluent flow rate was 1 mL/min, the temperature of the column was 30 C, and the eluate was monitored at 290 nm. Linearity (r = 0.999), recovery (97.6-105.8%), RSD (0.55-1.90%), and LOQ (0.099-1.48 mu g/mL) were evaluated and found to be satisfactory. The proposed method can be used for simultaneous identification and quantification of the analyzed compounds in pharmaceutical formulations.",
publisher = "AOAC Int, Gaithersburg",
journal = "Journal of AOAC International",
title = "High-Performance Liquid Chromatographic Determination of Pantoprazole and Its Main Impurities in Pharmaceuticals",
volume = "93",
number = "4",
pages = "1121-1128",
doi = "10.1093/jaoac/93.4.1121",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1334"
}

Letica, J., Marković, S., Zirojević, J., Nikolić, K.,& Agbaba, D.. (2010). High-Performance Liquid Chromatographic Determination of Pantoprazole and Its Main Impurities in Pharmaceuticals. in Journal of AOAC International
AOAC Int, Gaithersburg., 93(4), 1121-1128.
https://doi.org/10.1093/jaoac/93.4.1121
https://hdl.handle.net/21.15107/rcub_farfar_1334

Letica J, Marković S, Zirojević J, Nikolić K, Agbaba D. High-Performance Liquid Chromatographic Determination of Pantoprazole and Its Main Impurities in Pharmaceuticals. in Journal of AOAC International. 2010;93(4):1121-1128.
doi:10.1093/jaoac/93.4.1121
https://hdl.handle.net/21.15107/rcub_farfar_1334 .

Letica, Jelena, Marković, Slavko, Zirojević, Jelena, Nikolić, Katarina, Agbaba, Danica, "High-Performance Liquid Chromatographic Determination of Pantoprazole and Its Main Impurities in Pharmaceuticals" in Journal of AOAC International, 93, no. 4 (2010):1121-1128,
https://doi.org/10.1093/jaoac/93.4.1121 .,
https://hdl.handle.net/21.15107/rcub_farfar_1334 .

TY  - JOUR
AU  - Aleksić, Mara
AU  - Kapetanović, Vera
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1345
AB  - In the last two decades different electroanalytical methods were used for sensitive and selective determination of cephalosporins. The paper was focused on the electrochemical behavior of methoxyimino cephalosporins, reduction mechanism and nature of the process at the mercury electrode surface. Special attention was paid to the cephalosporins adsorption at the mercury surface. Based on this phenomenon, the adsorptive stripping methods were established for determination of the low concentration of these drugs in urine samples, both in vitro, and in vivo conditions. The application of Adsorptive Stripping Differential Pulse Voltammetry (AdSDPV) for the determination of cefpodoxime proxetil (CP), cefotaxime (CF), desacetylcefotaxime (DCF) and cefetamet (CEF) was summarized. The best sensitivity of in vitro determination in urine was achieved for CP, in acid solutions (LOD 7.4.10(-9) M and LOQ 2.4.10(-8) M), followed by CF, CEF and DCF. This is in accordance with the strength of their adsorption. Determination of CF and DCF by AdSDPV in vivo was also presented. Compared to other analytical methods, AdSDPV showed advantages in the simplicity of sample preparation, and over the other voltamperometric methods, higher sensitivity and selectivity.
PB  - Bentham Science Publ Ltd, Sharjah
T2  - Combinatorial Chemistry & High Throughput Screening
T1  - Application of Adsorptive Stripping Voltammetry for the Determination of Selected Methoxyimino Cephalosporins in Urine Samples
VL  - 13
IS  - 8
SP  - 758
EP  - 763
DO  - 10.2174/138620710791920310
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1345
ER  - 

@article{
author = "Aleksić, Mara and Kapetanović, Vera",
year = "2010",
abstract = "In the last two decades different electroanalytical methods were used for sensitive and selective determination of cephalosporins. The paper was focused on the electrochemical behavior of methoxyimino cephalosporins, reduction mechanism and nature of the process at the mercury electrode surface. Special attention was paid to the cephalosporins adsorption at the mercury surface. Based on this phenomenon, the adsorptive stripping methods were established for determination of the low concentration of these drugs in urine samples, both in vitro, and in vivo conditions. The application of Adsorptive Stripping Differential Pulse Voltammetry (AdSDPV) for the determination of cefpodoxime proxetil (CP), cefotaxime (CF), desacetylcefotaxime (DCF) and cefetamet (CEF) was summarized. The best sensitivity of in vitro determination in urine was achieved for CP, in acid solutions (LOD 7.4.10(-9) M and LOQ 2.4.10(-8) M), followed by CF, CEF and DCF. This is in accordance with the strength of their adsorption. Determination of CF and DCF by AdSDPV in vivo was also presented. Compared to other analytical methods, AdSDPV showed advantages in the simplicity of sample preparation, and over the other voltamperometric methods, higher sensitivity and selectivity.",
publisher = "Bentham Science Publ Ltd, Sharjah",
journal = "Combinatorial Chemistry & High Throughput Screening",
title = "Application of Adsorptive Stripping Voltammetry for the Determination of Selected Methoxyimino Cephalosporins in Urine Samples",
volume = "13",
number = "8",
pages = "758-763",
doi = "10.2174/138620710791920310",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1345"
}

Aleksić, M.,& Kapetanović, V.. (2010). Application of Adsorptive Stripping Voltammetry for the Determination of Selected Methoxyimino Cephalosporins in Urine Samples. in Combinatorial Chemistry & High Throughput Screening
Bentham Science Publ Ltd, Sharjah., 13(8), 758-763.
https://doi.org/10.2174/138620710791920310
https://hdl.handle.net/21.15107/rcub_farfar_1345

Aleksić M, Kapetanović V. Application of Adsorptive Stripping Voltammetry for the Determination of Selected Methoxyimino Cephalosporins in Urine Samples. in Combinatorial Chemistry & High Throughput Screening. 2010;13(8):758-763.
doi:10.2174/138620710791920310
https://hdl.handle.net/21.15107/rcub_farfar_1345 .

Aleksić, Mara, Kapetanović, Vera, "Application of Adsorptive Stripping Voltammetry for the Determination of Selected Methoxyimino Cephalosporins in Urine Samples" in Combinatorial Chemistry & High Throughput Screening, 13, no. 8 (2010):758-763,
https://doi.org/10.2174/138620710791920310 .,
https://hdl.handle.net/21.15107/rcub_farfar_1345 .

TY  - JOUR
AU  - Aleksić, Mara
AU  - Radulović, Valentina
AU  - Kapetanović, Vera
AU  - Savić, Vladimir
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1359
AB  - The electrochemical behaviour of desloratadine (DLOR) and its derivative 3-hydroxydesloratadine (3OH-DLOR) was investigated by direct current (DCP) polarography, cyclic (CV), differential pulse (DPV) and square-wave (SWV) voltammetry in Britton-Robinson (BR) buffer solutions (pH 4-11). Both compounds are reduced at mercury electrode in irreversible two electron reduction of the C=N bond of the pyridine ring in their molecules. The difference in their electrochemical behaviour was investigated, and the most pronounced distinction is observed at pH > 9, as a consequence of the deprotonation of the phenolic moiety in 3OH-DLOR molecule, yielding significant change in their reduction potentials (E (p DLOR) = -1.48 V, and E(p 3OH-DLOR) = -1.6 V). The observed results correlate with calculated LUMO energy levels and Hammet substituent constants (sigma). Based on the difference in the reduction potential for DLOR and 3OH-DLOR, conditions for simultaneous determination these two molecules in alkaline medium were established. The best selectivity was achieved using SWV method at pH 10. The linearity of the calibration graphs were achieved in the concentration range from 1.5 x 10(-6) M-1 x 10(-5) M for DLOR and 7.5 x 10(-6) M(-5) x 10(-5) M for 3OH-DLOR with detection limits of 2.29 x 10(-7) M and 2.08 x 10(-6) M, and determination limits of 7.64 x 10(-7) M and 6.94 x 10(-6) M, for DLOR and 3OH-DLOR, respectively. The method was checked in human plasma sample. Good response was obtained with LOD and LOQ values of 4.63 x 10(-7) M and 1.54 x 10(-6) M, for DLOR and 2.39 x 10(-6) M and 7.97 x 10(-6) M, 3OH-DLOR, respectively.
PB  - Slovensko Kemijsko Drustvo, Ljubljana
T2  - Acta Chimica Slovenica
T1  - The Possibility of Simultaneous Voltammetric Determination of Desloratadine and 3-Hydroxydesloratadine
VL  - 57
IS  - 3
SP  - 686
EP  - 692
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1359
ER  - 

@article{
author = "Aleksić, Mara and Radulović, Valentina and Kapetanović, Vera and Savić, Vladimir",
year = "2010",
abstract = "The electrochemical behaviour of desloratadine (DLOR) and its derivative 3-hydroxydesloratadine (3OH-DLOR) was investigated by direct current (DCP) polarography, cyclic (CV), differential pulse (DPV) and square-wave (SWV) voltammetry in Britton-Robinson (BR) buffer solutions (pH 4-11). Both compounds are reduced at mercury electrode in irreversible two electron reduction of the C=N bond of the pyridine ring in their molecules. The difference in their electrochemical behaviour was investigated, and the most pronounced distinction is observed at pH > 9, as a consequence of the deprotonation of the phenolic moiety in 3OH-DLOR molecule, yielding significant change in their reduction potentials (E (p DLOR) = -1.48 V, and E(p 3OH-DLOR) = -1.6 V). The observed results correlate with calculated LUMO energy levels and Hammet substituent constants (sigma). Based on the difference in the reduction potential for DLOR and 3OH-DLOR, conditions for simultaneous determination these two molecules in alkaline medium were established. The best selectivity was achieved using SWV method at pH 10. The linearity of the calibration graphs were achieved in the concentration range from 1.5 x 10(-6) M-1 x 10(-5) M for DLOR and 7.5 x 10(-6) M(-5) x 10(-5) M for 3OH-DLOR with detection limits of 2.29 x 10(-7) M and 2.08 x 10(-6) M, and determination limits of 7.64 x 10(-7) M and 6.94 x 10(-6) M, for DLOR and 3OH-DLOR, respectively. The method was checked in human plasma sample. Good response was obtained with LOD and LOQ values of 4.63 x 10(-7) M and 1.54 x 10(-6) M, for DLOR and 2.39 x 10(-6) M and 7.97 x 10(-6) M, 3OH-DLOR, respectively.",
publisher = "Slovensko Kemijsko Drustvo, Ljubljana",
journal = "Acta Chimica Slovenica",
title = "The Possibility of Simultaneous Voltammetric Determination of Desloratadine and 3-Hydroxydesloratadine",
volume = "57",
number = "3",
pages = "686-692",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1359"
}

Aleksić, M., Radulović, V., Kapetanović, V.,& Savić, V.. (2010). The Possibility of Simultaneous Voltammetric Determination of Desloratadine and 3-Hydroxydesloratadine. in Acta Chimica Slovenica
Slovensko Kemijsko Drustvo, Ljubljana., 57(3), 686-692.
https://hdl.handle.net/21.15107/rcub_farfar_1359

Aleksić M, Radulović V, Kapetanović V, Savić V. The Possibility of Simultaneous Voltammetric Determination of Desloratadine and 3-Hydroxydesloratadine. in Acta Chimica Slovenica. 2010;57(3):686-692.
https://hdl.handle.net/21.15107/rcub_farfar_1359 .

Aleksić, Mara, Radulović, Valentina, Kapetanović, Vera, Savić, Vladimir, "The Possibility of Simultaneous Voltammetric Determination of Desloratadine and 3-Hydroxydesloratadine" in Acta Chimica Slovenica, 57, no. 3 (2010):686-692,
https://hdl.handle.net/21.15107/rcub_farfar_1359 .

TY  - JOUR
AU  - Husinec, Suren
AU  - Jadranin, Milka
AU  - Marković, Rade
AU  - Petković, Miloš
AU  - Savić, Vladimir
AU  - Todorović, Nina
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1382
AB  - Allyl acetates were synthesised from allenes utilising methodology based on the general reactivity of pi-allyl palladium intermediates which participate efficiently in transformations involving nucleophiles. Reactions of allenes and aryl iodides in the presence of AcONa and Pd(OAc)(2)/PPh(3) as the catalytic system afforded allyl acetates in moderate to good yields. Monosubstituted allenes, depending on their structure, produced either a separable mixture of two regioisomeric products or a single regioisomer. As allylic acetates can be easily hydrolysed, the methodology is applicable for the synthesis of allyl alcohols as well.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron-Asymmetry
T1  - Palladium-catalysed synthesis of allyl acetates from allenes
VL  - 51
IS  - 31
SP  - 4066
EP  - 4068
DO  - 10.1016/j.tetlet.2010.05.136
ER  - 

@article{
author = "Husinec, Suren and Jadranin, Milka and Marković, Rade and Petković, Miloš and Savić, Vladimir and Todorović, Nina",
year = "2010",
abstract = "Allyl acetates were synthesised from allenes utilising methodology based on the general reactivity of pi-allyl palladium intermediates which participate efficiently in transformations involving nucleophiles. Reactions of allenes and aryl iodides in the presence of AcONa and Pd(OAc)(2)/PPh(3) as the catalytic system afforded allyl acetates in moderate to good yields. Monosubstituted allenes, depending on their structure, produced either a separable mixture of two regioisomeric products or a single regioisomer. As allylic acetates can be easily hydrolysed, the methodology is applicable for the synthesis of allyl alcohols as well.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron-Asymmetry",
title = "Palladium-catalysed synthesis of allyl acetates from allenes",
volume = "51",
number = "31",
pages = "4066-4068",
doi = "10.1016/j.tetlet.2010.05.136"
}

Husinec, S., Jadranin, M., Marković, R., Petković, M., Savić, V.,& Todorović, N.. (2010). Palladium-catalysed synthesis of allyl acetates from allenes. in Tetrahedron-Asymmetry
Pergamon-Elsevier Science Ltd, Oxford., 51(31), 4066-4068.
https://doi.org/10.1016/j.tetlet.2010.05.136

Husinec S, Jadranin M, Marković R, Petković M, Savić V, Todorović N. Palladium-catalysed synthesis of allyl acetates from allenes. in Tetrahedron-Asymmetry. 2010;51(31):4066-4068.
doi:10.1016/j.tetlet.2010.05.136 .

Husinec, Suren, Jadranin, Milka, Marković, Rade, Petković, Miloš, Savić, Vladimir, Todorović, Nina, "Palladium-catalysed synthesis of allyl acetates from allenes" in Tetrahedron-Asymmetry, 51, no. 31 (2010):4066-4068,
https://doi.org/10.1016/j.tetlet.2010.05.136 . .

TY  - JOUR
AU  - Erić, Slavica
AU  - Kalinić, Marko
AU  - Popović, Aleksandar
AU  - Makić, Halid
AU  - Civić, Elvisa
AU  - Bektašević, Mejra
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1425
AB  - Aqueous solubility is an important factor influencing several aspects of the pharmacokinetic profile of a drug. Numerous publications present different methodologies for the development of reliable computational models for the prediction of solubility from structure. The quality of such models can be significantly affected by the accuracy of the employed experimental solubility data. In this work, the importance of the accuracy of the experimental solubility data used for model training was investigated. Three data sets were used as training sets - data set 1, containing solubility data collected from various literature sources using a few criteria (n = 319), data set 2, created by substituting 28 values from data set 1 with uniformly determined experimental data from one laboratory (n = 319), and data set 3, created by including 56 additional components, for which the solubility was also determined under uniform conditions in the same laboratory, in the data set 2 (n = 375). The selection of the most significant descriptors was performed by the heuristic method, using one-parameter and multi-parameter analysis. The correlations between the most significant descriptors and solubility were established using multi-linear regression analysis (MLR) for all three investigated data sets. Notable differences were observed between the equations corresponding to different data sets, suggesting that models updated with new experimental data need to be additionally optimized. It was successfully shown that the inclusion of uniform experimental data consistently leads to an improvement in the correlation coefficients. These findings contribute to an emerging consensus that improving the reliability of solubility prediction requires the inclusion of many diverse compounds for which solubility was measured under standardized conditions in the data set.
AB  - Rastvorljivost leka u vodi je značajan faktor koji utiče na više aspekata njegovog farmakokinetičkog profila. Brojne publikacije prezentuju različite metodologije za razvoj pouzdanih kompjuterskih modela za predviđanje rastvorljivosti na osnovu strukture jedinjenja. Kvalitet modela za predviđanje rastvorljivosti bitno zavisi od tačnosti eksperimentalnih vrednosti za rastvorljivost koje su korišćene za treniranje modela. U ovom radu proučavan je značaj primene eksperimentalnih podataka dobijenih pod standardizovanim, uniformnim uslovima za treniranje modela za predviđanje rastvorljivosti. Korišćena su tri seta podataka - ispitivani set 1 koji je dobijen odabirom eksperimentalnih vrednosti za rastvorljivost pod određenim kriterijumima iz različitih literaturnih izvora (n = 319), zatim ispitivani set 2 koji je dobijen zamenom 28 vrednosti za rastvorljivost iz ispitivanog seta 1 vrednostima za rastvorljivost dobijenim standardizovanom eksperimentalnom metodom u jednoj laboratoriji (n = 319) i ispitivani set 3 koji je dobijen dodatkom još 56 komponenata u ispitivani set 2, za koje su vrednosti rastvorljivisti takođe određene pod standardizovanim uslovima u istoj laboratoriji (n = 375). Zatim je primenjena heuristička metoda za selekciju najznačajnijih deskriptora, korišćenjem jednoparametarskih i višeparametarskih analiza. Postavljene su korelacije između najznačajnijih deskriptora i rastvorljivosti korišćenjem multilinearne regresione analize za sva tri ispitivana seta podataka. Uočena je značajna razlika između jednačina koje su dobijene korišćenjem različitih setova podataka, što ukazuje na to da je nakon uvođenja novih eksperimentalnih podataka neophodno dodatno optimizovati postojeće modele. Pokazano je da korišćenje uniformnih eksperimentalnih podataka uslovljava poboljšanje koeficijenata korelacije. Ovi rezultati govore u prilog sve zastupljenijem stavu da je za poboljšanje pouzdanosti predviđanja rastvorljivosti potrebno koristiti setove podataka velikog broja različitih jedinjenja čija je rastvorljivost merena pod standardizovanim uslovima.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - The importance of the accuracy of the experimental data for the prediction of solubility
T1  - Važnost preciznosti eksperimentalnih podataka za procenu rastvorljivosti
VL  - 75
IS  - 4
SP  - 483
EP  - 495
DO  - 10.2298/JSC090809022E
ER  - 

@article{
author = "Erić, Slavica and Kalinić, Marko and Popović, Aleksandar and Makić, Halid and Civić, Elvisa and Bektašević, Mejra",
year = "2010",
abstract = "Aqueous solubility is an important factor influencing several aspects of the pharmacokinetic profile of a drug. Numerous publications present different methodologies for the development of reliable computational models for the prediction of solubility from structure. The quality of such models can be significantly affected by the accuracy of the employed experimental solubility data. In this work, the importance of the accuracy of the experimental solubility data used for model training was investigated. Three data sets were used as training sets - data set 1, containing solubility data collected from various literature sources using a few criteria (n = 319), data set 2, created by substituting 28 values from data set 1 with uniformly determined experimental data from one laboratory (n = 319), and data set 3, created by including 56 additional components, for which the solubility was also determined under uniform conditions in the same laboratory, in the data set 2 (n = 375). The selection of the most significant descriptors was performed by the heuristic method, using one-parameter and multi-parameter analysis. The correlations between the most significant descriptors and solubility were established using multi-linear regression analysis (MLR) for all three investigated data sets. Notable differences were observed between the equations corresponding to different data sets, suggesting that models updated with new experimental data need to be additionally optimized. It was successfully shown that the inclusion of uniform experimental data consistently leads to an improvement in the correlation coefficients. These findings contribute to an emerging consensus that improving the reliability of solubility prediction requires the inclusion of many diverse compounds for which solubility was measured under standardized conditions in the data set., Rastvorljivost leka u vodi je značajan faktor koji utiče na više aspekata njegovog farmakokinetičkog profila. Brojne publikacije prezentuju različite metodologije za razvoj pouzdanih kompjuterskih modela za predviđanje rastvorljivosti na osnovu strukture jedinjenja. Kvalitet modela za predviđanje rastvorljivosti bitno zavisi od tačnosti eksperimentalnih vrednosti za rastvorljivost koje su korišćene za treniranje modela. U ovom radu proučavan je značaj primene eksperimentalnih podataka dobijenih pod standardizovanim, uniformnim uslovima za treniranje modela za predviđanje rastvorljivosti. Korišćena su tri seta podataka - ispitivani set 1 koji je dobijen odabirom eksperimentalnih vrednosti za rastvorljivost pod određenim kriterijumima iz različitih literaturnih izvora (n = 319), zatim ispitivani set 2 koji je dobijen zamenom 28 vrednosti za rastvorljivost iz ispitivanog seta 1 vrednostima za rastvorljivost dobijenim standardizovanom eksperimentalnom metodom u jednoj laboratoriji (n = 319) i ispitivani set 3 koji je dobijen dodatkom još 56 komponenata u ispitivani set 2, za koje su vrednosti rastvorljivisti takođe određene pod standardizovanim uslovima u istoj laboratoriji (n = 375). Zatim je primenjena heuristička metoda za selekciju najznačajnijih deskriptora, korišćenjem jednoparametarskih i višeparametarskih analiza. Postavljene su korelacije između najznačajnijih deskriptora i rastvorljivosti korišćenjem multilinearne regresione analize za sva tri ispitivana seta podataka. Uočena je značajna razlika između jednačina koje su dobijene korišćenjem različitih setova podataka, što ukazuje na to da je nakon uvođenja novih eksperimentalnih podataka neophodno dodatno optimizovati postojeće modele. Pokazano je da korišćenje uniformnih eksperimentalnih podataka uslovljava poboljšanje koeficijenata korelacije. Ovi rezultati govore u prilog sve zastupljenijem stavu da je za poboljšanje pouzdanosti predviđanja rastvorljivosti potrebno koristiti setove podataka velikog broja različitih jedinjenja čija je rastvorljivost merena pod standardizovanim uslovima.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "The importance of the accuracy of the experimental data for the prediction of solubility, Važnost preciznosti eksperimentalnih podataka za procenu rastvorljivosti",
volume = "75",
number = "4",
pages = "483-495",
doi = "10.2298/JSC090809022E"
}

Erić, S., Kalinić, M., Popović, A., Makić, H., Civić, E.,& Bektašević, M.. (2010). The importance of the accuracy of the experimental data for the prediction of solubility. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 75(4), 483-495.
https://doi.org/10.2298/JSC090809022E

Erić S, Kalinić M, Popović A, Makić H, Civić E, Bektašević M. The importance of the accuracy of the experimental data for the prediction of solubility. in Journal of the Serbian Chemical Society. 2010;75(4):483-495.
doi:10.2298/JSC090809022E .

Erić, Slavica, Kalinić, Marko, Popović, Aleksandar, Makić, Halid, Civić, Elvisa, Bektašević, Mejra, "The importance of the accuracy of the experimental data for the prediction of solubility" in Journal of the Serbian Chemical Society, 75, no. 4 (2010):483-495,
https://doi.org/10.2298/JSC090809022E . .

TY  - JOUR
AU  - Grigg, Ronald
AU  - Husinec, Suren
AU  - Savić, Vladimir
PY  - 2010
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1417
AB  - Stereoselective cyclo-addition reactions of azomethine ylides promoted by in situ generated Ag(I)/bisphosphine complexes were studied. Under the optimized conditions, the pyrrolidine products were isolated in up to 84 % yield and with up to 71% e.e. The effects of various reaction variables on the stereoselectivity were also investigated.
AB  - Proučavane su stereoselektivne cikloadicione reakcije azometinskih ilida katalizovane kompleksima srebra i bisfosfinskog liganda generisanih in situ. Pirolidinski derivati izolovani su u dobrim prinosima i sa enantioselektivnošću do 71%. Proučavani su takođe i efekti reakcionih uslova na stereoselektivnost ovih reakcija.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Stereoselective cyclo-addition reactions of azomethine ylides catalysed by in situ generated Ag(I)/bisphosphine complexes
T1  - Stereoselektivne cikloadicione reakcije azometinskih ilida katalizovane in situ generisanim Ag(I)/bisfosfinskim kompleksima
VL  - 75
IS  - 1
SP  - 1
EP  - 9
DO  - 10.2298/JSC1001001G
ER  - 

@article{
author = "Grigg, Ronald and Husinec, Suren and Savić, Vladimir",
year = "2010",
abstract = "Stereoselective cyclo-addition reactions of azomethine ylides promoted by in situ generated Ag(I)/bisphosphine complexes were studied. Under the optimized conditions, the pyrrolidine products were isolated in up to 84 % yield and with up to 71% e.e. The effects of various reaction variables on the stereoselectivity were also investigated., Proučavane su stereoselektivne cikloadicione reakcije azometinskih ilida katalizovane kompleksima srebra i bisfosfinskog liganda generisanih in situ. Pirolidinski derivati izolovani su u dobrim prinosima i sa enantioselektivnošću do 71%. Proučavani su takođe i efekti reakcionih uslova na stereoselektivnost ovih reakcija.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Stereoselective cyclo-addition reactions of azomethine ylides catalysed by in situ generated Ag(I)/bisphosphine complexes, Stereoselektivne cikloadicione reakcije azometinskih ilida katalizovane in situ generisanim Ag(I)/bisfosfinskim kompleksima",
volume = "75",
number = "1",
pages = "1-9",
doi = "10.2298/JSC1001001G"
}

Grigg, R., Husinec, S.,& Savić, V.. (2010). Stereoselective cyclo-addition reactions of azomethine ylides catalysed by in situ generated Ag(I)/bisphosphine complexes. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 75(1), 1-9.
https://doi.org/10.2298/JSC1001001G

Grigg R, Husinec S, Savić V. Stereoselective cyclo-addition reactions of azomethine ylides catalysed by in situ generated Ag(I)/bisphosphine complexes. in Journal of the Serbian Chemical Society. 2010;75(1):1-9.
doi:10.2298/JSC1001001G .

Grigg, Ronald, Husinec, Suren, Savić, Vladimir, "Stereoselective cyclo-addition reactions of azomethine ylides catalysed by in situ generated Ag(I)/bisphosphine complexes" in Journal of the Serbian Chemical Society, 75, no. 1 (2010):1-9,
https://doi.org/10.2298/JSC1001001G . .

TY  - CONF
AU  - Filipić, Slavica
AU  - Nikolić, Katarina
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5246
AB  - The hypotensive effect of imidazoline ligands was attributed both to α2-adrenergic receptors and nonadrenergic imidazoline-1 receptors (I1-R). ...
PB  - European Federation for Medicinal Chemistry
C3  - Vienna Summer School Drug Design 2009
T1  - QSAR study of imidazoline antihypertesive drugs
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5246
ER  - 

@conference{
author = "Filipić, Slavica and Nikolić, Katarina and Agbaba, Danica",
year = "2009",
abstract = "The hypotensive effect of imidazoline ligands was attributed both to α2-adrenergic receptors and nonadrenergic imidazoline-1 receptors (I1-R). ...",
publisher = "European Federation for Medicinal Chemistry",
journal = "Vienna Summer School Drug Design 2009",
title = "QSAR study of imidazoline antihypertesive drugs",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5246"
}

Filipić, S., Nikolić, K.,& Agbaba, D.. (2009). QSAR study of imidazoline antihypertesive drugs. in Vienna Summer School Drug Design 2009
European Federation for Medicinal Chemistry..
https://hdl.handle.net/21.15107/rcub_farfar_5246

Filipić S, Nikolić K, Agbaba D. QSAR study of imidazoline antihypertesive drugs. in Vienna Summer School Drug Design 2009. 2009;.
https://hdl.handle.net/21.15107/rcub_farfar_5246 .

Filipić, Slavica, Nikolić, Katarina, Agbaba, Danica, "QSAR study of imidazoline antihypertesive drugs" in Vienna Summer School Drug Design 2009 (2009),
https://hdl.handle.net/21.15107/rcub_farfar_5246 .

TY  - CONF
AU  - Ravanić, Nina
AU  - Nikolić, Katarina
AU  - Popović, Gordana
AU  - Vovk, Irena
AU  - Simonovska, Breda
AU  - Filipić, Slavica
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5205
AB  - Alfa lipoinska (tioktinska) kiselina se koristi u lečenju dijabetesne polineuropatije. Zbog svojih antioksidativnih svojstava, prisutna je u brojnim dijetetskim suplementima sama, kao i u kombinaciji sa aminokiselinama, L-karnitinom i drugim jedinjenjima. Dostupni podaci za kvantitativno određivanje alfa lipoinske kiseline su malobrojni. Usled toga, cilja našeg rada bio je da se razvije i validira TLC metoda za određivanje alfa lipoinske kiseline posle derivatizacije sa paladijum (II) hloridom. 
Za razdvajanje alfa lipoinske kiseline i njenog redukovanog oblika korišćene su RPTLC ploče veličine 20×10 cm, uz mobilnu fazu propanol-2 : methanol : aceton : voda : sirćetna kiselina u odnosu 6:4:2:8:0,2 v/v/v/v/v. Nakon razvijanja, hromatografske ploče su potapane u rastvor paladijum (II) hlorida, a žute zone formiranog kompleksa su merene na 375 nm. Retenciona vremena alfa lipoinske kiseline i njene redukovane forme su 45 i 32 nm. Zavisnost površine signala i količine nanete supstance ispitana je korišćenjem linearne regresione jednačine za opseg koncentracija 1 – 3 μg i polinomalne regresione jednačine drugog stepena za koncentracioni opseg 0,5 – 5 μg. Za datu metodu dobijene vrednosti koeficijenta korelacije (r=0,999), limit kvantifikacije (0,3 μg), rikaveri (98,5 – 105,2%) i preciznost (0,9 – 2,9%) su zadovoljavajući.
Validirana hromatografska metoda je primenjena za određivanje alfa lipoinske kiseline u doziranim oblicima i dijetetskim suplementima. Nađeni sadržaj lipoinske kiseline (98,5 – 102,0%) u doziranim oblicima je u propisanim granicama, dok je u dijetetskim suplementima varirao u rasponu od 50 – 185%.
AB  - Alpha lipoic (thioctic) acid is a drug used for the treatment of diabetic polyneuropathy. Due to its antioxidant properties alpha lipoic acid nowadays widely used in dietary supplement preparation alone and in combination with amino acids, L-carnitine and other compounds. There are not so many data available on the quantitative determination of alpha lipoic acid in dietary supplements. Therefore, the aim of these investigations was to develop and validated TLC method for determination of alpha lipoic acid after derivatization by Palladium (II) chloride reagent. 
The separation of alpha lipoic acid was performed on RPTLC plates (20 × 10 cm) using propanol-2 : methanol : acetone : water : acetic acid (6:4:2:8:0.2 v/v/v/v/v) as mobile phase. The plates were immersed in solutions of Palladium (II) chloride reagents and yellow spots were scanned at 375 nm. The retention times of alpha lipoic acid and its reduced form were 45 and 32 mm, respectively. Relationship of the peak areas and the amount of the substance applied was evaluated using the linear (1 -3 μg/spot) and second degree polynomial regression function (0.5 – 5 μg/spot). For the proposed procedure coefficient of correlation (r=0.999), limit of quantification (0.3 μg/spot), recovery (98.5 – 105.2 %) and precision (0.9 – 2.9%) were found to be satisfactory. 
The developed method was applied for determination of alpha lipoic acid in drugs dosage formulations and in dietary supplement preparation. The content of lipoic acid were found to be 98.5 – 102.0% in drug dosage formulations and 50 – 185.0% in some of dietary supplement preparations.
PB  - Udruženje za medicinu sporta Srbije
PB  - Institut za bromatologiju Farmaceutskog fakulteta u Beogradu
C3  - Drugi kongres o dijetetskim suplementima sa međunarodnim učešćem, Apstrakti
T1  - Determination of alpha lipoic acid in dietary supplement preparations and in drug formulations
T1  - Određivanje alfa lipoinske kiseline u dijetetskim suplementima i doziranim oblicima
SP  - 139
EP  - 140
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5205
ER  - 

@conference{
author = "Ravanić, Nina and Nikolić, Katarina and Popović, Gordana and Vovk, Irena and Simonovska, Breda and Filipić, Slavica and Agbaba, Danica",
year = "2009",
abstract = "Alfa lipoinska (tioktinska) kiselina se koristi u lečenju dijabetesne polineuropatije. Zbog svojih antioksidativnih svojstava, prisutna je u brojnim dijetetskim suplementima sama, kao i u kombinaciji sa aminokiselinama, L-karnitinom i drugim jedinjenjima. Dostupni podaci za kvantitativno određivanje alfa lipoinske kiseline su malobrojni. Usled toga, cilja našeg rada bio je da se razvije i validira TLC metoda za određivanje alfa lipoinske kiseline posle derivatizacije sa paladijum (II) hloridom. 
Za razdvajanje alfa lipoinske kiseline i njenog redukovanog oblika korišćene su RPTLC ploče veličine 20×10 cm, uz mobilnu fazu propanol-2 : methanol : aceton : voda : sirćetna kiselina u odnosu 6:4:2:8:0,2 v/v/v/v/v. Nakon razvijanja, hromatografske ploče su potapane u rastvor paladijum (II) hlorida, a žute zone formiranog kompleksa su merene na 375 nm. Retenciona vremena alfa lipoinske kiseline i njene redukovane forme su 45 i 32 nm. Zavisnost površine signala i količine nanete supstance ispitana je korišćenjem linearne regresione jednačine za opseg koncentracija 1 – 3 μg i polinomalne regresione jednačine drugog stepena za koncentracioni opseg 0,5 – 5 μg. Za datu metodu dobijene vrednosti koeficijenta korelacije (r=0,999), limit kvantifikacije (0,3 μg), rikaveri (98,5 – 105,2%) i preciznost (0,9 – 2,9%) su zadovoljavajući.
Validirana hromatografska metoda je primenjena za određivanje alfa lipoinske kiseline u doziranim oblicima i dijetetskim suplementima. Nađeni sadržaj lipoinske kiseline (98,5 – 102,0%) u doziranim oblicima je u propisanim granicama, dok je u dijetetskim suplementima varirao u rasponu od 50 – 185%., Alpha lipoic (thioctic) acid is a drug used for the treatment of diabetic polyneuropathy. Due to its antioxidant properties alpha lipoic acid nowadays widely used in dietary supplement preparation alone and in combination with amino acids, L-carnitine and other compounds. There are not so many data available on the quantitative determination of alpha lipoic acid in dietary supplements. Therefore, the aim of these investigations was to develop and validated TLC method for determination of alpha lipoic acid after derivatization by Palladium (II) chloride reagent. 
The separation of alpha lipoic acid was performed on RPTLC plates (20 × 10 cm) using propanol-2 : methanol : acetone : water : acetic acid (6:4:2:8:0.2 v/v/v/v/v) as mobile phase. The plates were immersed in solutions of Palladium (II) chloride reagents and yellow spots were scanned at 375 nm. The retention times of alpha lipoic acid and its reduced form were 45 and 32 mm, respectively. Relationship of the peak areas and the amount of the substance applied was evaluated using the linear (1 -3 μg/spot) and second degree polynomial regression function (0.5 – 5 μg/spot). For the proposed procedure coefficient of correlation (r=0.999), limit of quantification (0.3 μg/spot), recovery (98.5 – 105.2 %) and precision (0.9 – 2.9%) were found to be satisfactory. 
The developed method was applied for determination of alpha lipoic acid in drugs dosage formulations and in dietary supplement preparation. The content of lipoic acid were found to be 98.5 – 102.0% in drug dosage formulations and 50 – 185.0% in some of dietary supplement preparations.",
publisher = "Udruženje za medicinu sporta Srbije, Institut za bromatologiju Farmaceutskog fakulteta u Beogradu",
journal = "Drugi kongres o dijetetskim suplementima sa međunarodnim učešćem, Apstrakti",
title = "Determination of alpha lipoic acid in dietary supplement preparations and in drug formulations, Određivanje alfa lipoinske kiseline u dijetetskim suplementima i doziranim oblicima",
pages = "139-140",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5205"
}

Ravanić, N., Nikolić, K., Popović, G., Vovk, I., Simonovska, B., Filipić, S.,& Agbaba, D.. (2009). Determination of alpha lipoic acid in dietary supplement preparations and in drug formulations. in Drugi kongres o dijetetskim suplementima sa međunarodnim učešćem, Apstrakti
Udruženje za medicinu sporta Srbije., 139-140.
https://hdl.handle.net/21.15107/rcub_farfar_5205

Ravanić N, Nikolić K, Popović G, Vovk I, Simonovska B, Filipić S, Agbaba D. Determination of alpha lipoic acid in dietary supplement preparations and in drug formulations. in Drugi kongres o dijetetskim suplementima sa međunarodnim učešćem, Apstrakti. 2009;:139-140.
https://hdl.handle.net/21.15107/rcub_farfar_5205 .

Ravanić, Nina, Nikolić, Katarina, Popović, Gordana, Vovk, Irena, Simonovska, Breda, Filipić, Slavica, Agbaba, Danica, "Determination of alpha lipoic acid in dietary supplement preparations and in drug formulations" in Drugi kongres o dijetetskim suplementima sa međunarodnim učešćem, Apstrakti (2009):139-140,
https://hdl.handle.net/21.15107/rcub_farfar_5205 .

TY  - JOUR
AU  - Aleksić, Mara
AU  - Kapetanović, Vera
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1310
AB  - In last two decades different electroanalytical methods are used for sensitive and selective determination of cephalosporins. In this paper the electrochemical behavior of methoxyimino cephalosporins, reduction mechanism and nature of the process at the mercury electrode surface is presented. Special attention is paid to the cephalosporin ability to adsorb on the electrode surface. Based on the methoxyimino cephalosporin specific adsorption on the mercury surface, the adsorptive stripping methods are established for determination of low concentration of these drugs in urine samples, both in-vitro, and in-vivo. Application of the adsorptive stripping differential pulse voltammetry (AdSDPV) for determination of cefpodoxime proksetile (CP), cefotaxime (CF), desacetylcefotaxime (DCF) and cefetamet (CEF) is summarized. The best sensitivity of in-vitro determination in urine was achieved for CP in acid solutions (LOD 7.4×10-9M and LOQ 2.4×10-8M), what is in accordance with its most pronounced adsorption properties, and followed by CF, DCF and CEF. In-vivo AdSDPV determination of CF and DCF is also presented. AdSDPV showed advantages over other analytical methods in simplicity of the sample preparation, and is even more sensitive and selective compared to other voltamperometric methods.
AB  - U poslednje dve dekade elektroanalitičke metode su primenjivane za osetljiva i selektivna određivanja velikog broja cefalosporina. U ovom radu detaljno je prikazano elektrohemijsko ponašanje metoksiimino cefalosporina, mehanizam i priroda procesa njihove redukcije na površini živine elektrode, a posebna pažnja posvećena je sposobnosti molekula cefalosporina da se adsorbuju na površini elektrode. Voltametrijske metode sa akumulacijom zasnivaju se na procesu specifične adsorpcije cefalosporina na površini živine elektrode i primenjuju se za određivanje veoma niskih koncentracija cefalosporina kako in-vitro, tako i in-vivo u biološkom materijalu urinu. Sumirani su rezultati primene metode adsorptivne 'striping' diferencijalno pulsne voltametrije (AdSDPV) za određivanje cefpodoksim proksetila (CP), cefotaksima (CF), dezacetilcefotaksima (DCF) i cefetameta (CEF). Najveća osetljivost in-vitro određivanja u uzorcima urina, ostvarena je za CP u kiseloj sredini (granica detekcije: 7,4×10-9M i granica određivanja: 2,4×10-8M), što je u saglasnosti sa najizraženijom adsorpcijom ovog antibiotika, a zatim slede CF, DCF i na kraju CEF. Prikazana je i primena AdSDPV metode za in-vivo određivanja CF i DCF. Prednost AdSDPV nad drugim analitičkim metodama je u jednostavnosti pripreme uzorka, a prednost nad ostalim voltamperometrijskim metodama leži u većoj osetljivosti i selektivnosti.
PB  - Savez farmaceutskih udruženja Srbije, Beograd
T2  - Arhiv za farmaciju
T1  - Electrochemical behavior of methoxyimino cephalosporins and their in-vitro and in-vivo determination in urine by adsorptive stripping voltammetry
T1  - Elektrohemijsko ponašanje metoksiimino cefalosporina i njihovo in-vitro i in-vivo određivanje u urinu primenom adsorptivne 'striping' voltametrije
VL  - 59
IS  - 6
SP  - 509
EP  - 523
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1310
ER  - 

@article{
author = "Aleksić, Mara and Kapetanović, Vera",
year = "2009",
abstract = "In last two decades different electroanalytical methods are used for sensitive and selective determination of cephalosporins. In this paper the electrochemical behavior of methoxyimino cephalosporins, reduction mechanism and nature of the process at the mercury electrode surface is presented. Special attention is paid to the cephalosporin ability to adsorb on the electrode surface. Based on the methoxyimino cephalosporin specific adsorption on the mercury surface, the adsorptive stripping methods are established for determination of low concentration of these drugs in urine samples, both in-vitro, and in-vivo. Application of the adsorptive stripping differential pulse voltammetry (AdSDPV) for determination of cefpodoxime proksetile (CP), cefotaxime (CF), desacetylcefotaxime (DCF) and cefetamet (CEF) is summarized. The best sensitivity of in-vitro determination in urine was achieved for CP in acid solutions (LOD 7.4×10-9M and LOQ 2.4×10-8M), what is in accordance with its most pronounced adsorption properties, and followed by CF, DCF and CEF. In-vivo AdSDPV determination of CF and DCF is also presented. AdSDPV showed advantages over other analytical methods in simplicity of the sample preparation, and is even more sensitive and selective compared to other voltamperometric methods., U poslednje dve dekade elektroanalitičke metode su primenjivane za osetljiva i selektivna određivanja velikog broja cefalosporina. U ovom radu detaljno je prikazano elektrohemijsko ponašanje metoksiimino cefalosporina, mehanizam i priroda procesa njihove redukcije na površini živine elektrode, a posebna pažnja posvećena je sposobnosti molekula cefalosporina da se adsorbuju na površini elektrode. Voltametrijske metode sa akumulacijom zasnivaju se na procesu specifične adsorpcije cefalosporina na površini živine elektrode i primenjuju se za određivanje veoma niskih koncentracija cefalosporina kako in-vitro, tako i in-vivo u biološkom materijalu urinu. Sumirani su rezultati primene metode adsorptivne 'striping' diferencijalno pulsne voltametrije (AdSDPV) za određivanje cefpodoksim proksetila (CP), cefotaksima (CF), dezacetilcefotaksima (DCF) i cefetameta (CEF). Najveća osetljivost in-vitro određivanja u uzorcima urina, ostvarena je za CP u kiseloj sredini (granica detekcije: 7,4×10-9M i granica određivanja: 2,4×10-8M), što je u saglasnosti sa najizraženijom adsorpcijom ovog antibiotika, a zatim slede CF, DCF i na kraju CEF. Prikazana je i primena AdSDPV metode za in-vivo određivanja CF i DCF. Prednost AdSDPV nad drugim analitičkim metodama je u jednostavnosti pripreme uzorka, a prednost nad ostalim voltamperometrijskim metodama leži u većoj osetljivosti i selektivnosti.",
publisher = "Savez farmaceutskih udruženja Srbije, Beograd",
journal = "Arhiv za farmaciju",
title = "Electrochemical behavior of methoxyimino cephalosporins and their in-vitro and in-vivo determination in urine by adsorptive stripping voltammetry, Elektrohemijsko ponašanje metoksiimino cefalosporina i njihovo in-vitro i in-vivo određivanje u urinu primenom adsorptivne 'striping' voltametrije",
volume = "59",
number = "6",
pages = "509-523",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1310"
}

Aleksić, M.,& Kapetanović, V.. (2009). Electrochemical behavior of methoxyimino cephalosporins and their in-vitro and in-vivo determination in urine by adsorptive stripping voltammetry. in Arhiv za farmaciju
Savez farmaceutskih udruženja Srbije, Beograd., 59(6), 509-523.
https://hdl.handle.net/21.15107/rcub_farfar_1310

Aleksić M, Kapetanović V. Electrochemical behavior of methoxyimino cephalosporins and their in-vitro and in-vivo determination in urine by adsorptive stripping voltammetry. in Arhiv za farmaciju. 2009;59(6):509-523.
https://hdl.handle.net/21.15107/rcub_farfar_1310 .

Aleksić, Mara, Kapetanović, Vera, "Electrochemical behavior of methoxyimino cephalosporins and their in-vitro and in-vivo determination in urine by adsorptive stripping voltammetry" in Arhiv za farmaciju, 59, no. 6 (2009):509-523,
https://hdl.handle.net/21.15107/rcub_farfar_1310 .

TY  - JOUR
AU  - Nikolić, Katarina
AU  - Filipić, Slavica
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1221
AB  - Selective imidazoline1-receptor (I1-R) ligands are used clinically to reduce blood pressure. Thus, there is significant interest in developing new imidazoline analogs with high selectivity and affinity for I1 receptors. A quantitative structure-activity relationship (QSAR) study was carried out on 11 potent I1-R ligands (derivatives of imidazoline, oxazoline and pyrroline) using a multiple linear regression (MLR) procedure. The selected compounds have been studied using B3LYP/3-21G(d, p) and B3LYP/6-31G(d, p) methods. Among the 42 descriptors that were considered in generating the QSAR model, three descriptors (partial atomic charges of nitrogen in the heterocyclic moiety (N-2 charge), log D and the dipole moment of the ligands) resulted in a statistically significant model with r2 0.874 and [image omitted] 0.802. The QSAR models were validated through cross-validation and external test set prediction. The aim of the developed MLR models for the I1-R ligands was to link the structures to their reported I1-R binding affinity log(1/Ki). The proposed QSAR models indicate that an increase in log D and the dipole moment value and a decrease in N-2 charge in the heterocyclic moiety are predictors of better selectivity and affinity for I1 receptors. The developed QSAR model is intended to predict the I1-R binding affinity of related compounds and aid in the rational design of new potent and selective I1-R ligands.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Saudi Pharmaceutical Journal
T1  - QSAR study of selective I1-imidazoline receptor ligands
VL  - 20
IS  - 1-2
SP  - 133
EP  - 144
DO  - 10.1080/10629360902726015
ER  - 

@article{
author = "Nikolić, Katarina and Filipić, Slavica and Agbaba, Danica",
year = "2009",
abstract = "Selective imidazoline1-receptor (I1-R) ligands are used clinically to reduce blood pressure. Thus, there is significant interest in developing new imidazoline analogs with high selectivity and affinity for I1 receptors. A quantitative structure-activity relationship (QSAR) study was carried out on 11 potent I1-R ligands (derivatives of imidazoline, oxazoline and pyrroline) using a multiple linear regression (MLR) procedure. The selected compounds have been studied using B3LYP/3-21G(d, p) and B3LYP/6-31G(d, p) methods. Among the 42 descriptors that were considered in generating the QSAR model, three descriptors (partial atomic charges of nitrogen in the heterocyclic moiety (N-2 charge), log D and the dipole moment of the ligands) resulted in a statistically significant model with r2 0.874 and [image omitted] 0.802. The QSAR models were validated through cross-validation and external test set prediction. The aim of the developed MLR models for the I1-R ligands was to link the structures to their reported I1-R binding affinity log(1/Ki). The proposed QSAR models indicate that an increase in log D and the dipole moment value and a decrease in N-2 charge in the heterocyclic moiety are predictors of better selectivity and affinity for I1 receptors. The developed QSAR model is intended to predict the I1-R binding affinity of related compounds and aid in the rational design of new potent and selective I1-R ligands.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Saudi Pharmaceutical Journal",
title = "QSAR study of selective I1-imidazoline receptor ligands",
volume = "20",
number = "1-2",
pages = "133-144",
doi = "10.1080/10629360902726015"
}

Nikolić, K., Filipić, S.,& Agbaba, D.. (2009). QSAR study of selective I1-imidazoline receptor ligands. in Saudi Pharmaceutical Journal
Taylor & Francis Ltd, Abingdon., 20(1-2), 133-144.
https://doi.org/10.1080/10629360902726015

Nikolić K, Filipić S, Agbaba D. QSAR study of selective I1-imidazoline receptor ligands. in Saudi Pharmaceutical Journal. 2009;20(1-2):133-144.
doi:10.1080/10629360902726015 .

Nikolić, Katarina, Filipić, Slavica, Agbaba, Danica, "QSAR study of selective I1-imidazoline receptor ligands" in Saudi Pharmaceutical Journal, 20, no. 1-2 (2009):133-144,
https://doi.org/10.1080/10629360902726015 . .

TY  - JOUR
AU  - Ravanić, N.
AU  - Filipić, Slavica
AU  - Nikolić, Katarina
AU  - Popović, Gordana
AU  - Vovk, Irena
AU  - Simonovska, Breda
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1170
AB  - A simple and reliable TLC method for analysis of -lipoic acid ( LA) with post-chromatographic derivatisation with palladium(II) chloride immersion reagent has been developed and evaluated. Separation of LA was performed on 20 cm x 10 cm RPTLC plates with 2-propanol-methanol-acetone-water-acetic acid 6: 4: 2: 8: 0.2 (v/v) as mobile phase. Yellow complexes formed in situ were scanned at 375 nm. The migration distance of LA was 43.0 mm. The relationship between peak area and amount of LA applied was evaluated by use of linear (1.0-3.0 mu g per band) and second-degree polynomial ( 0.5-5.0 mu g per band) regression functions. The correlation coefficient (r = 0.999), the limit of quantification (0.39 mu g per band), recovery (98.5-105.2%), and precision (1.8-2.9%) obtained by use of the procedure were satisfactory. The method was used for analysis of LA in several drug formulations and selected dietary supplement preparations. The LA content was 99.5-101.0% in the drug formulations, 98.8-99.5% in three of five dietary supplements tested, and 48.0-185.0% in two other dietary supplements.
PB  - Akademiai Kiado Zrt, Budapest
T2  - Acta Chromatographica
T1  - Analysis of alpha-Lipoic Acid in Drug Formulations and Dietary Supplement Preparations
VL  - 21
IS  - 3
SP  - 433
EP  - 441
DO  - 10.1556/AChrom.21.2009.3.7
ER  - 

@article{
author = "Ravanić, N. and Filipić, Slavica and Nikolić, Katarina and Popović, Gordana and Vovk, Irena and Simonovska, Breda and Agbaba, Danica",
year = "2009",
abstract = "A simple and reliable TLC method for analysis of -lipoic acid ( LA) with post-chromatographic derivatisation with palladium(II) chloride immersion reagent has been developed and evaluated. Separation of LA was performed on 20 cm x 10 cm RPTLC plates with 2-propanol-methanol-acetone-water-acetic acid 6: 4: 2: 8: 0.2 (v/v) as mobile phase. Yellow complexes formed in situ were scanned at 375 nm. The migration distance of LA was 43.0 mm. The relationship between peak area and amount of LA applied was evaluated by use of linear (1.0-3.0 mu g per band) and second-degree polynomial ( 0.5-5.0 mu g per band) regression functions. The correlation coefficient (r = 0.999), the limit of quantification (0.39 mu g per band), recovery (98.5-105.2%), and precision (1.8-2.9%) obtained by use of the procedure were satisfactory. The method was used for analysis of LA in several drug formulations and selected dietary supplement preparations. The LA content was 99.5-101.0% in the drug formulations, 98.8-99.5% in three of five dietary supplements tested, and 48.0-185.0% in two other dietary supplements.",
publisher = "Akademiai Kiado Zrt, Budapest",
journal = "Acta Chromatographica",
title = "Analysis of alpha-Lipoic Acid in Drug Formulations and Dietary Supplement Preparations",
volume = "21",
number = "3",
pages = "433-441",
doi = "10.1556/AChrom.21.2009.3.7"
}

Ravanić, N., Filipić, S., Nikolić, K., Popović, G., Vovk, I., Simonovska, B.,& Agbaba, D.. (2009). Analysis of alpha-Lipoic Acid in Drug Formulations and Dietary Supplement Preparations. in Acta Chromatographica
Akademiai Kiado Zrt, Budapest., 21(3), 433-441.
https://doi.org/10.1556/AChrom.21.2009.3.7

Ravanić N, Filipić S, Nikolić K, Popović G, Vovk I, Simonovska B, Agbaba D. Analysis of alpha-Lipoic Acid in Drug Formulations and Dietary Supplement Preparations. in Acta Chromatographica. 2009;21(3):433-441.
doi:10.1556/AChrom.21.2009.3.7 .

Ravanić, N., Filipić, Slavica, Nikolić, Katarina, Popović, Gordana, Vovk, Irena, Simonovska, Breda, Agbaba, Danica, "Analysis of alpha-Lipoic Acid in Drug Formulations and Dietary Supplement Preparations" in Acta Chromatographica, 21, no. 3 (2009):433-441,
https://doi.org/10.1556/AChrom.21.2009.3.7 . .

TY  - JOUR
AU  - Pavlović, Vladimir
AU  - Petković, Miloš
AU  - Popović, Stanimir
AU  - Savić, Vladimir
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1209
AB  - A short, efficient, and high-yielding synthesis of 4-aryl-2-aminopyridine derivatives has been developed. The route employs two palladium-catalyzed processes, the Suzuki reaction and the Buchwald-Hartwig amination, as the key steps. The same approach has been used for preparation of the corresponding quinoline derivatives. In addition, a brief study of biological properties showed the anticancer potential of these compounds.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Tenside Surfactants Detergents
T1  - Synthesis of 4-Aryl-2-aminopyridine Derivatives and Related Compounds
VL  - 39
IS  - 23
SP  - 4249
EP  - 4263
DO  - 10.1080/00397910902898601
ER  - 

@article{
author = "Pavlović, Vladimir and Petković, Miloš and Popović, Stanimir and Savić, Vladimir",
year = "2009",
abstract = "A short, efficient, and high-yielding synthesis of 4-aryl-2-aminopyridine derivatives has been developed. The route employs two palladium-catalyzed processes, the Suzuki reaction and the Buchwald-Hartwig amination, as the key steps. The same approach has been used for preparation of the corresponding quinoline derivatives. In addition, a brief study of biological properties showed the anticancer potential of these compounds.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Tenside Surfactants Detergents",
title = "Synthesis of 4-Aryl-2-aminopyridine Derivatives and Related Compounds",
volume = "39",
number = "23",
pages = "4249-4263",
doi = "10.1080/00397910902898601"
}

Pavlović, V., Petković, M., Popović, S.,& Savić, V.. (2009). Synthesis of 4-Aryl-2-aminopyridine Derivatives and Related Compounds. in Tenside Surfactants Detergents
Taylor & Francis Inc, Philadelphia., 39(23), 4249-4263.
https://doi.org/10.1080/00397910902898601

Pavlović V, Petković M, Popović S, Savić V. Synthesis of 4-Aryl-2-aminopyridine Derivatives and Related Compounds. in Tenside Surfactants Detergents. 2009;39(23):4249-4263.
doi:10.1080/00397910902898601 .

Pavlović, Vladimir, Petković, Miloš, Popović, Stanimir, Savić, Vladimir, "Synthesis of 4-Aryl-2-aminopyridine Derivatives and Related Compounds" in Tenside Surfactants Detergents, 39, no. 23 (2009):4249-4263,
https://doi.org/10.1080/00397910902898601 . .

TY  - JOUR
AU  - Jocić, Biljana
AU  - Zečević, Mira
AU  - Živanović, Ljiljana
AU  - Protić, Ana
AU  - Jadranin, Milka
AU  - Vajs, Vlatka
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1262
AB  - The objective of the present study was to report the stability profile of novel antimigrain drug Eletriptan hydrobromide based on the information obtained from forced degradation studies. The drug was subjected to acid (0.1-1 mol L-1 HCl), neutral and base (0.1-1 mol L-1 NaOH) hydrolysis and to oxidative decomposition (3-15% (v/v) H2O2). Photolysis and thermo degradation at 75 degrees C were carried out in methanol solution and in solid state with both Eletriptan hydrobromide bulk drug and the tablet formulation. The products formed under different stress conditions were investigated by LC and LC-MS. The experimental conditions for LC were chosen by employing experimental design and multicriteria decision making methodology. These powerful tools enabled the accomplishment of satisfactory resolution with the shortest possible analysis time. Analytes were separated on a C-18 column (XTerra (TM), 150 mm x 3.9 mm, 5 mu m) with the mobile phase composed of methanol-water solution of TEA (pH 6.52, 1%, v/v) (30:70, v/v) pumped at 1 mL min(-1) flow rate. The column temperature was set at 50 degrees C and the detection at 225 nm using DAD detector. The LC method was suitably modified for LC-MS analysis which was further used to characterize the arisen degradation products. The possible degradation pathway was outlined based on the results. The drug appeared to be instable towards every stress condition but oxidation. The stability was not jeopardized even under more exaggerated conditions such as increased temperature of the solutions to 75 degrees C, increased strength of acid/alkali solutions and prolonged testing period. Validation of the LC-DAD method was carried out in accordance with ICH guideline. The method met all required criteria and was applied when testing the commercially available tablets.
PB  - Elsevier Science BV, Amsterdam
T2  - Journal of Pharmaceutical and Biomedical Analysis
T1  - Study of forced degradation behavior of Eletriptan hydrobromide by LC and LC-MS and development of stability-indicating method
VL  - 50
IS  - 4
SP  - 622
EP  - 629
DO  - 10.1016/j.jpba.2009.01.034
ER  - 

@article{
author = "Jocić, Biljana and Zečević, Mira and Živanović, Ljiljana and Protić, Ana and Jadranin, Milka and Vajs, Vlatka",
year = "2009",
abstract = "The objective of the present study was to report the stability profile of novel antimigrain drug Eletriptan hydrobromide based on the information obtained from forced degradation studies. The drug was subjected to acid (0.1-1 mol L-1 HCl), neutral and base (0.1-1 mol L-1 NaOH) hydrolysis and to oxidative decomposition (3-15% (v/v) H2O2). Photolysis and thermo degradation at 75 degrees C were carried out in methanol solution and in solid state with both Eletriptan hydrobromide bulk drug and the tablet formulation. The products formed under different stress conditions were investigated by LC and LC-MS. The experimental conditions for LC were chosen by employing experimental design and multicriteria decision making methodology. These powerful tools enabled the accomplishment of satisfactory resolution with the shortest possible analysis time. Analytes were separated on a C-18 column (XTerra (TM), 150 mm x 3.9 mm, 5 mu m) with the mobile phase composed of methanol-water solution of TEA (pH 6.52, 1%, v/v) (30:70, v/v) pumped at 1 mL min(-1) flow rate. The column temperature was set at 50 degrees C and the detection at 225 nm using DAD detector. The LC method was suitably modified for LC-MS analysis which was further used to characterize the arisen degradation products. The possible degradation pathway was outlined based on the results. The drug appeared to be instable towards every stress condition but oxidation. The stability was not jeopardized even under more exaggerated conditions such as increased temperature of the solutions to 75 degrees C, increased strength of acid/alkali solutions and prolonged testing period. Validation of the LC-DAD method was carried out in accordance with ICH guideline. The method met all required criteria and was applied when testing the commercially available tablets.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
title = "Study of forced degradation behavior of Eletriptan hydrobromide by LC and LC-MS and development of stability-indicating method",
volume = "50",
number = "4",
pages = "622-629",
doi = "10.1016/j.jpba.2009.01.034"
}

Jocić, B., Zečević, M., Živanović, L., Protić, A., Jadranin, M.,& Vajs, V.. (2009). Study of forced degradation behavior of Eletriptan hydrobromide by LC and LC-MS and development of stability-indicating method. in Journal of Pharmaceutical and Biomedical Analysis
Elsevier Science BV, Amsterdam., 50(4), 622-629.
https://doi.org/10.1016/j.jpba.2009.01.034

Jocić B, Zečević M, Živanović L, Protić A, Jadranin M, Vajs V. Study of forced degradation behavior of Eletriptan hydrobromide by LC and LC-MS and development of stability-indicating method. in Journal of Pharmaceutical and Biomedical Analysis. 2009;50(4):622-629.
doi:10.1016/j.jpba.2009.01.034 .

Jocić, Biljana, Zečević, Mira, Živanović, Ljiljana, Protić, Ana, Jadranin, Milka, Vajs, Vlatka, "Study of forced degradation behavior of Eletriptan hydrobromide by LC and LC-MS and development of stability-indicating method" in Journal of Pharmaceutical and Biomedical Analysis, 50, no. 4 (2009):622-629,
https://doi.org/10.1016/j.jpba.2009.01.034 . .

TY  - JOUR
AU  - Živanović, Ljiljana
AU  - Protić, Ana
AU  - Zečević, Mira
AU  - Jocić, Biljana
AU  - Kostić, Mirjana
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1255
AB  - Multicriteria optimization methodology was applied for development of isocratic reversed-phased HPLC method for simultaneous determination of mycophenolic acid (MPA) and mycophenolic acid glucuronide (MPAG) in human urine and plasma. In the first stage of method development, pH value of the water phase. percentage of acetonitrile, temperature of the column and flow rate of the mobile phase were investigated using fractional factorial design. Afterwards, the optimal conditions were found employing central composite design and Derringer's desirability function. Two goals were considered, the retention factor of the MPAG to be in the range, between 0.8 and 1.118 which allowed well separation of MPAG from the urine and plasma peaks, and the shortest possible total analysis run time. Then, the obtained sigmoid functions were used to transform the optimization criteria into the desirability values. The satisfactory chromatographic conditions were obtained with mobile phase consisted of acetonitrile-phosphate buffer (pH 2.4; 0.04 M KH2PO4) (28:72, v/v). The separation was performed on C-18 Chromolith column (100 mm x 4.6 mm) with flow rate of 5 mL/min, the temperature of the column was 25 degrees C and the chosen wavelength for simultaneous determination of MPA and MPAG was 215 nm. The MPAG eluted at 0.552 min and the duration of run was 3.092 min. Afterwards, the method was subjected to validation. Linearity was observed over the concentration range of 1-50 mu g/mL for MPA and 1-500 mu g/mL for MPAG in urine and 1-60 mu g/mL for MPA and 1-70 mu g/mL for MPAG in plasma matrix. The method showed intra-day and inter-day precision with relative standard deviation lower then 5% and accuracy as recovery (%) between 100 +/- 5%.
PB  - Elsevier Science BV, Amsterdam
T2  - Journal of Pharmaceutical and Biomedical Analysis
T1  - Multicriteria optimization methodology in development of HPLC separation of mycophenolic acid and mycophenolic acid glucuronide in human urine and plasma
VL  - 50
IS  - 4
SP  - 640
EP  - 648
DO  - 10.1016/j.jpba.2008.09.052
ER  - 

@article{
author = "Živanović, Ljiljana and Protić, Ana and Zečević, Mira and Jocić, Biljana and Kostić, Mirjana",
year = "2009",
abstract = "Multicriteria optimization methodology was applied for development of isocratic reversed-phased HPLC method for simultaneous determination of mycophenolic acid (MPA) and mycophenolic acid glucuronide (MPAG) in human urine and plasma. In the first stage of method development, pH value of the water phase. percentage of acetonitrile, temperature of the column and flow rate of the mobile phase were investigated using fractional factorial design. Afterwards, the optimal conditions were found employing central composite design and Derringer's desirability function. Two goals were considered, the retention factor of the MPAG to be in the range, between 0.8 and 1.118 which allowed well separation of MPAG from the urine and plasma peaks, and the shortest possible total analysis run time. Then, the obtained sigmoid functions were used to transform the optimization criteria into the desirability values. The satisfactory chromatographic conditions were obtained with mobile phase consisted of acetonitrile-phosphate buffer (pH 2.4; 0.04 M KH2PO4) (28:72, v/v). The separation was performed on C-18 Chromolith column (100 mm x 4.6 mm) with flow rate of 5 mL/min, the temperature of the column was 25 degrees C and the chosen wavelength for simultaneous determination of MPA and MPAG was 215 nm. The MPAG eluted at 0.552 min and the duration of run was 3.092 min. Afterwards, the method was subjected to validation. Linearity was observed over the concentration range of 1-50 mu g/mL for MPA and 1-500 mu g/mL for MPAG in urine and 1-60 mu g/mL for MPA and 1-70 mu g/mL for MPAG in plasma matrix. The method showed intra-day and inter-day precision with relative standard deviation lower then 5% and accuracy as recovery (%) between 100 +/- 5%.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
title = "Multicriteria optimization methodology in development of HPLC separation of mycophenolic acid and mycophenolic acid glucuronide in human urine and plasma",
volume = "50",
number = "4",
pages = "640-648",
doi = "10.1016/j.jpba.2008.09.052"
}

Živanović, L., Protić, A., Zečević, M., Jocić, B.,& Kostić, M.. (2009). Multicriteria optimization methodology in development of HPLC separation of mycophenolic acid and mycophenolic acid glucuronide in human urine and plasma. in Journal of Pharmaceutical and Biomedical Analysis
Elsevier Science BV, Amsterdam., 50(4), 640-648.
https://doi.org/10.1016/j.jpba.2008.09.052

Živanović L, Protić A, Zečević M, Jocić B, Kostić M. Multicriteria optimization methodology in development of HPLC separation of mycophenolic acid and mycophenolic acid glucuronide in human urine and plasma. in Journal of Pharmaceutical and Biomedical Analysis. 2009;50(4):640-648.
doi:10.1016/j.jpba.2008.09.052 .

Živanović, Ljiljana, Protić, Ana, Zečević, Mira, Jocić, Biljana, Kostić, Mirjana, "Multicriteria optimization methodology in development of HPLC separation of mycophenolic acid and mycophenolic acid glucuronide in human urine and plasma" in Journal of Pharmaceutical and Biomedical Analysis, 50, no. 4 (2009):640-648,
https://doi.org/10.1016/j.jpba.2008.09.052 . .

TY  - JOUR
AU  - Protić, Ana
AU  - Živanović, Ljiljana
AU  - Zečević, Mira
AU  - Jocić, Biljana
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1243
PB  - Oxford Univ Press Inc, Cary
T2  - Journal of Chromatographic Science
T1  - Development of Liquid Chromatographic Method for Simultaneous Determination of Mycophenolate Mofetil and its Degradation Product Mycophenolic Acid in Dosage Form
VL  - 47
IS  - 2
SP  - 149
EP  - 155
DO  - 10.1093/chromsci/47.2.149
ER  - 

@article{
author = "Protić, Ana and Živanović, Ljiljana and Zečević, Mira and Jocić, Biljana",
year = "2009",
publisher = "Oxford Univ Press Inc, Cary",
journal = "Journal of Chromatographic Science",
title = "Development of Liquid Chromatographic Method for Simultaneous Determination of Mycophenolate Mofetil and its Degradation Product Mycophenolic Acid in Dosage Form",
volume = "47",
number = "2",
pages = "149-155",
doi = "10.1093/chromsci/47.2.149"
}

Protić, A., Živanović, L., Zečević, M.,& Jocić, B.. (2009). Development of Liquid Chromatographic Method for Simultaneous Determination of Mycophenolate Mofetil and its Degradation Product Mycophenolic Acid in Dosage Form. in Journal of Chromatographic Science
Oxford Univ Press Inc, Cary., 47(2), 149-155.
https://doi.org/10.1093/chromsci/47.2.149

Protić A, Živanović L, Zečević M, Jocić B. Development of Liquid Chromatographic Method for Simultaneous Determination of Mycophenolate Mofetil and its Degradation Product Mycophenolic Acid in Dosage Form. in Journal of Chromatographic Science. 2009;47(2):149-155.
doi:10.1093/chromsci/47.2.149 .

Protić, Ana, Živanović, Ljiljana, Zečević, Mira, Jocić, Biljana, "Development of Liquid Chromatographic Method for Simultaneous Determination of Mycophenolate Mofetil and its Degradation Product Mycophenolic Acid in Dosage Form" in Journal of Chromatographic Science, 47, no. 2 (2009):149-155,
https://doi.org/10.1093/chromsci/47.2.149 . .

TY  - JOUR
AU  - Džodić, Predrag
AU  - Živanović, Ljiljana
AU  - Protić, Ana
AU  - Zečević, Mira
AU  - Jocić, Biljana
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1214
AB  - A chemometrical approach was applied to develop a reversed-phase liquid chromatographic method for simultaneous determination of carbamazepine and its impurities iminostilbene and iminodibenzyl in solid dosage form. According to contemporary literature, no method was developed for simultaneous determination of carbamazepine and these impurities by chemometrical approach. The fractional factorial design was used for selection of variables significantly influencing the chromatographic separation of the investigated substances. The investigated variables were: temperature of the column, the percentage of organic modifier, the acetate buffer concentration and pH of water phase. The first three variables were proved to be significant and were optimized by face centered, central composite design. Investigation was performed using C18 XBridge Shield analytical column (50 mm x 4.6 mm i.d., particle size 3.5 A mu m). The optimal conditions for the separation were established with the mobile phase composition of methanol-10 mM acetate buffer (pH adjusted to 2.21 with glacial acetic acid) (50:50, v/v) at a flow rate of 1.5 mL min(-1), 25 A degrees C column temperature and detection at 260 nm. Total analysis time was shortened to about 8 min. Finally, the method was successfully validated and subsequently applied to the analysis of commercially available carbamazepine tablets.
PB  - Springer Heidelberg, Heidelberg
T2  - Chromatographia
T1  - Chemometrically Assisted Development and Validation of LC for Simultaneous Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form
VL  - 70
IS  - 9-10
SP  - 1343
EP  - 1351
DO  - 10.1365/s10337-009-1322-6
ER  - 

@article{
author = "Džodić, Predrag and Živanović, Ljiljana and Protić, Ana and Zečević, Mira and Jocić, Biljana",
year = "2009",
abstract = "A chemometrical approach was applied to develop a reversed-phase liquid chromatographic method for simultaneous determination of carbamazepine and its impurities iminostilbene and iminodibenzyl in solid dosage form. According to contemporary literature, no method was developed for simultaneous determination of carbamazepine and these impurities by chemometrical approach. The fractional factorial design was used for selection of variables significantly influencing the chromatographic separation of the investigated substances. The investigated variables were: temperature of the column, the percentage of organic modifier, the acetate buffer concentration and pH of water phase. The first three variables were proved to be significant and were optimized by face centered, central composite design. Investigation was performed using C18 XBridge Shield analytical column (50 mm x 4.6 mm i.d., particle size 3.5 A mu m). The optimal conditions for the separation were established with the mobile phase composition of methanol-10 mM acetate buffer (pH adjusted to 2.21 with glacial acetic acid) (50:50, v/v) at a flow rate of 1.5 mL min(-1), 25 A degrees C column temperature and detection at 260 nm. Total analysis time was shortened to about 8 min. Finally, the method was successfully validated and subsequently applied to the analysis of commercially available carbamazepine tablets.",
publisher = "Springer Heidelberg, Heidelberg",
journal = "Chromatographia",
title = "Chemometrically Assisted Development and Validation of LC for Simultaneous Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form",
volume = "70",
number = "9-10",
pages = "1343-1351",
doi = "10.1365/s10337-009-1322-6"
}

Džodić, P., Živanović, L., Protić, A., Zečević, M.,& Jocić, B.. (2009). Chemometrically Assisted Development and Validation of LC for Simultaneous Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form. in Chromatographia
Springer Heidelberg, Heidelberg., 70(9-10), 1343-1351.
https://doi.org/10.1365/s10337-009-1322-6

Džodić P, Živanović L, Protić A, Zečević M, Jocić B. Chemometrically Assisted Development and Validation of LC for Simultaneous Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form. in Chromatographia. 2009;70(9-10):1343-1351.
doi:10.1365/s10337-009-1322-6 .

Džodić, Predrag, Živanović, Ljiljana, Protić, Ana, Zečević, Mira, Jocić, Biljana, "Chemometrically Assisted Development and Validation of LC for Simultaneous Determination of Carbamazepine and Its Impurities Iminostilbene and Iminodibenzyl in Solid Dosage Form" in Chromatographia, 70, no. 9-10 (2009):1343-1351,
https://doi.org/10.1365/s10337-009-1322-6 . .

TY  - JOUR
AU  - Nikolić, Katarina
AU  - Ivković, Branka
AU  - Besović, Željka
AU  - Marković, Slavko
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1202
AB  - A new and accurate HPLC method using beta-cyclodextrin chemically bonded to spherical silica particles as chiral stationary phase (CSP) was developed and validated for determination of S-clopidogrel and its impurities R-enantiomer and S-acid as a hydrolytic product. The effects of acetonitrile and methanol content in the mobile phase and temperature on the resolution and retention of enantiomers were investigated. A satisfactory resolution of S-clopidogrel active form and its impurities was achieved on ChiraDex(R) column (5 mu m, 4 x 250 mm) at a flow rate of 1.0 ml/min and 17 degrees C using acetonitrile, methanol and 0.01 M potassium dihydrogen phosphate solution (15:5:80 v/v/v) as mobile phase. The detection wavelength was set at 220 nm. The method was validated in terms of accuracy, precision, linearity, and robustness. The limit of detection for R-enantiomer and S-acid were 0.75 and 0.09 mu g/ml, respectively, injection volume being 20 mu l. Finally, the molecular modeling of the inclusion complexes between the analytes and beta-cyclodextrin was performed to investigate the mechanism of the enantiorecognition and to study the quantitative structure-retention relationships. Chirality 21:878-885, 2009.
PB  - Wiley, Hoboken
T2  - Chirality
T1  - A Validated Enantiospecific Method for Determination and Purity Assay of Clopridogrel
VL  - 21
IS  - 10
SP  - 878
EP  - 885
DO  - 10.1002/chir.20681
ER  - 

@article{
author = "Nikolić, Katarina and Ivković, Branka and Besović, Željka and Marković, Slavko and Agbaba, Danica",
year = "2009",
abstract = "A new and accurate HPLC method using beta-cyclodextrin chemically bonded to spherical silica particles as chiral stationary phase (CSP) was developed and validated for determination of S-clopidogrel and its impurities R-enantiomer and S-acid as a hydrolytic product. The effects of acetonitrile and methanol content in the mobile phase and temperature on the resolution and retention of enantiomers were investigated. A satisfactory resolution of S-clopidogrel active form and its impurities was achieved on ChiraDex(R) column (5 mu m, 4 x 250 mm) at a flow rate of 1.0 ml/min and 17 degrees C using acetonitrile, methanol and 0.01 M potassium dihydrogen phosphate solution (15:5:80 v/v/v) as mobile phase. The detection wavelength was set at 220 nm. The method was validated in terms of accuracy, precision, linearity, and robustness. The limit of detection for R-enantiomer and S-acid were 0.75 and 0.09 mu g/ml, respectively, injection volume being 20 mu l. Finally, the molecular modeling of the inclusion complexes between the analytes and beta-cyclodextrin was performed to investigate the mechanism of the enantiorecognition and to study the quantitative structure-retention relationships. Chirality 21:878-885, 2009.",
publisher = "Wiley, Hoboken",
journal = "Chirality",
title = "A Validated Enantiospecific Method for Determination and Purity Assay of Clopridogrel",
volume = "21",
number = "10",
pages = "878-885",
doi = "10.1002/chir.20681"
}

Nikolić, K., Ivković, B., Besović, Ž., Marković, S.,& Agbaba, D.. (2009). A Validated Enantiospecific Method for Determination and Purity Assay of Clopridogrel. in Chirality
Wiley, Hoboken., 21(10), 878-885.
https://doi.org/10.1002/chir.20681

Nikolić K, Ivković B, Besović Ž, Marković S, Agbaba D. A Validated Enantiospecific Method for Determination and Purity Assay of Clopridogrel. in Chirality. 2009;21(10):878-885.
doi:10.1002/chir.20681 .

Nikolić, Katarina, Ivković, Branka, Besović, Željka, Marković, Slavko, Agbaba, Danica, "A Validated Enantiospecific Method for Determination and Purity Assay of Clopridogrel" in Chirality, 21, no. 10 (2009):878-885,
https://doi.org/10.1002/chir.20681 . .

TY  - JOUR
AU  - Vučićević, Katarina
AU  - Popović, Gordana
AU  - Nikolić, Katarina
AU  - Vovk, Irena
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1241
AB  - In order to improve the chromatographic resolution (Rs) with a good analysis time, experimental designs were applied for multivariate optimization of the experimental conditions of an isocratic reversed phase high performance liquid chromatographic (RP-HPLC) method used for the simultaneous determination of seven 2-arylimidazoline derivatives, acting as vasoconstrictors and antihypertensives. Optimal conditions for the separation of the seven 2-arylimidazolines were obtained using a mixture of acetonitrile-triethylamine phosphate buffer (pH 4.0; 25mM) (30:70, v/v) as mobile phase at 25C. Here the 23 full factorial experimental design was employed to optimize RP-HPLC separation of the 2-arylimidazolines. The suggested RP-HPLC method is applicable for routine analysis of the 2-arylimidazoline derivatives under the same chromatographic conditions, which can shorten the time and the costs of the analysis as well. Detailed description of the method development and optimization given in this paper will enhance the reproducibility of the established experimental conditions and simplify the process of some future methods developments.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - An Experimental Design Approach to Selecting the Optimum HPLC Conditions for the Determination of 2-Arylimidazoline Derivatives
VL  - 32
IS  - 5
SP  - 656
EP  - 667
DO  - 10.1080/10826070802711113
ER  - 

@article{
author = "Vučićević, Katarina and Popović, Gordana and Nikolić, Katarina and Vovk, Irena and Agbaba, Danica",
year = "2009",
abstract = "In order to improve the chromatographic resolution (Rs) with a good analysis time, experimental designs were applied for multivariate optimization of the experimental conditions of an isocratic reversed phase high performance liquid chromatographic (RP-HPLC) method used for the simultaneous determination of seven 2-arylimidazoline derivatives, acting as vasoconstrictors and antihypertensives. Optimal conditions for the separation of the seven 2-arylimidazolines were obtained using a mixture of acetonitrile-triethylamine phosphate buffer (pH 4.0; 25mM) (30:70, v/v) as mobile phase at 25C. Here the 23 full factorial experimental design was employed to optimize RP-HPLC separation of the 2-arylimidazolines. The suggested RP-HPLC method is applicable for routine analysis of the 2-arylimidazoline derivatives under the same chromatographic conditions, which can shorten the time and the costs of the analysis as well. Detailed description of the method development and optimization given in this paper will enhance the reproducibility of the established experimental conditions and simplify the process of some future methods developments.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "An Experimental Design Approach to Selecting the Optimum HPLC Conditions for the Determination of 2-Arylimidazoline Derivatives",
volume = "32",
number = "5",
pages = "656-667",
doi = "10.1080/10826070802711113"
}

Vučićević, K., Popović, G., Nikolić, K., Vovk, I.,& Agbaba, D.. (2009). An Experimental Design Approach to Selecting the Optimum HPLC Conditions for the Determination of 2-Arylimidazoline Derivatives. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 32(5), 656-667.
https://doi.org/10.1080/10826070802711113

Vučićević K, Popović G, Nikolić K, Vovk I, Agbaba D. An Experimental Design Approach to Selecting the Optimum HPLC Conditions for the Determination of 2-Arylimidazoline Derivatives. in Journal of Liquid Chromatography & Related Technologies. 2009;32(5):656-667.
doi:10.1080/10826070802711113 .

Vučićević, Katarina, Popović, Gordana, Nikolić, Katarina, Vovk, Irena, Agbaba, Danica, "An Experimental Design Approach to Selecting the Optimum HPLC Conditions for the Determination of 2-Arylimidazoline Derivatives" in Journal of Liquid Chromatography & Related Technologies, 32, no. 5 (2009):656-667,
https://doi.org/10.1080/10826070802711113 . .

TY  - JOUR
AU  - Popović, Gordana
AU  - Čakar, Mira
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1234
AB  - Acid-base equilibria in homogeneous and heterogeneous systems of two antihistaminics, loratadine and desloratadine were studied spectrophotometrically in Britton-Robinson's buffer at 25 degrees C. Acidity constant of loratadine was found to be pK(a) 5.25 and those of desloratadine pK(a1) 4.41 and pK(a2) 9.97. The values of intrinsic solubilities of loratadine and desloratadine were 8.65 x 10(-6) M and 3.82 x 10(-4) M, respectively. Based on the pK(a) values and intrinsic solubilities, solubility curves of these two drugs as a function of pH were calculated. The effects of anionic, cationic and non-ionic surfactants applied in the concentration exceeding critical micelle concentration (cmc) on acid-base properties of loratadine and desloratadine, as well as on intrinsic solubility of loratadine were also examined. The results revealed a shift of pK(a) values in micellar media comparing to the values obtained in water. These shifts (Delta pK(a)) ranged from -2.24 to +1.24.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Journal of Pharmaceutical and Biomedical Analysis
T1  - Acid-base equilibria and solubility of loratadine and desloratadine in water and micellar media
VL  - 49
IS  - 1
SP  - 42
EP  - 47
DO  - 10.1016/j.jpba.2008.09.043
ER  - 

@article{
author = "Popović, Gordana and Čakar, Mira and Agbaba, Danica",
year = "2009",
abstract = "Acid-base equilibria in homogeneous and heterogeneous systems of two antihistaminics, loratadine and desloratadine were studied spectrophotometrically in Britton-Robinson's buffer at 25 degrees C. Acidity constant of loratadine was found to be pK(a) 5.25 and those of desloratadine pK(a1) 4.41 and pK(a2) 9.97. The values of intrinsic solubilities of loratadine and desloratadine were 8.65 x 10(-6) M and 3.82 x 10(-4) M, respectively. Based on the pK(a) values and intrinsic solubilities, solubility curves of these two drugs as a function of pH were calculated. The effects of anionic, cationic and non-ionic surfactants applied in the concentration exceeding critical micelle concentration (cmc) on acid-base properties of loratadine and desloratadine, as well as on intrinsic solubility of loratadine were also examined. The results revealed a shift of pK(a) values in micellar media comparing to the values obtained in water. These shifts (Delta pK(a)) ranged from -2.24 to +1.24.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
title = "Acid-base equilibria and solubility of loratadine and desloratadine in water and micellar media",
volume = "49",
number = "1",
pages = "42-47",
doi = "10.1016/j.jpba.2008.09.043"
}

Popović, G., Čakar, M.,& Agbaba, D.. (2009). Acid-base equilibria and solubility of loratadine and desloratadine in water and micellar media. in Journal of Pharmaceutical and Biomedical Analysis
Pergamon-Elsevier Science Ltd, Oxford., 49(1), 42-47.
https://doi.org/10.1016/j.jpba.2008.09.043

Popović G, Čakar M, Agbaba D. Acid-base equilibria and solubility of loratadine and desloratadine in water and micellar media. in Journal of Pharmaceutical and Biomedical Analysis. 2009;49(1):42-47.
doi:10.1016/j.jpba.2008.09.043 .

Popović, Gordana, Čakar, Mira, Agbaba, Danica, "Acid-base equilibria and solubility of loratadine and desloratadine in water and micellar media" in Journal of Pharmaceutical and Biomedical Analysis, 49, no. 1 (2009):42-47,
https://doi.org/10.1016/j.jpba.2008.09.043 . .

TY  - JOUR
AU  - Nikolić, Katarina
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1229
AB  - Organic selenides, such as Se-alkyl-selenocysteine and derivatives, are active in suppressing chemically induced mammary carcinogenesis in rats. Here the quantitative structure-activity relationship (QSAR) study of ten related alkyl-chalcogens was performed to correlate their structural properties with the measured chemotherapeutic activities (ED(50)). The CS Gaussian 98 program with Hartree-Fock/3-21G (d) basis set was applied for molecular properties computations of the optimized models. Electron Density on chalcogen (ED(X)) expressed the strongest influence on anticancer activity of the examined molecules. Linear regression model of the alkyl-chalcogens, log(ED(50)) = f (ED(X)), was obtained with R(2) = 0.964 and cross-validation parameter q(pre)(2) = 0.950. Synergy between organo-selenides and vitamin E in chemotherapeutic activity led to propose novel organoselenium-alpha-tocopheryl esters as potent anticancer agents. Anticancer activities (log(ED(50))) of the designed alkyl-seleno/tocopheryl esters (S-1 to S-4) were evaluated using the developed QSAR/alkyl-chalcogens model and the most potent chemotherapeutic agents (ED(50)(S-1): 2.60 ppm and ED(50)(S-4): 2.55 ppm). On the other side, previously created QSAR model for in vitro anticancer activity (IC(50)) for tocopherol derivatives, log(IC(50))= f (NCH(3), logDpH 5.0, O-charge) with R(2)= 0.940 and q(pre)(2)= 0.879, was employed with IC(50) evaluation of the proposed alkyl-seleno/tocopheryl esters (S-1 to S-4). Calculated antiproliferative activities of the designed compounds, IC(50)(S-1): 25.65 mu M and IC(50)(S-4): 31.36 mu M, were significantly stronger than activities of other related anticancer agents, IC(50): 4-1461 mu M.
PB  - Bentham Science Publ Ltd, Sharjah
T2  - Letters in Drug Design and Discovery
T1  - QSAR Study and Design of Novel Organoselenium and alpha-Tocopherol Derivatives with Enhanced Chemotherapeutic Activity
VL  - 6
IS  - 3
SP  - 228
EP  - 235
DO  - 10.2174/157018009787847882
ER  - 

@article{
author = "Nikolić, Katarina and Agbaba, Danica",
year = "2009",
abstract = "Organic selenides, such as Se-alkyl-selenocysteine and derivatives, are active in suppressing chemically induced mammary carcinogenesis in rats. Here the quantitative structure-activity relationship (QSAR) study of ten related alkyl-chalcogens was performed to correlate their structural properties with the measured chemotherapeutic activities (ED(50)). The CS Gaussian 98 program with Hartree-Fock/3-21G (d) basis set was applied for molecular properties computations of the optimized models. Electron Density on chalcogen (ED(X)) expressed the strongest influence on anticancer activity of the examined molecules. Linear regression model of the alkyl-chalcogens, log(ED(50)) = f (ED(X)), was obtained with R(2) = 0.964 and cross-validation parameter q(pre)(2) = 0.950. Synergy between organo-selenides and vitamin E in chemotherapeutic activity led to propose novel organoselenium-alpha-tocopheryl esters as potent anticancer agents. Anticancer activities (log(ED(50))) of the designed alkyl-seleno/tocopheryl esters (S-1 to S-4) were evaluated using the developed QSAR/alkyl-chalcogens model and the most potent chemotherapeutic agents (ED(50)(S-1): 2.60 ppm and ED(50)(S-4): 2.55 ppm). On the other side, previously created QSAR model for in vitro anticancer activity (IC(50)) for tocopherol derivatives, log(IC(50))= f (NCH(3), logDpH 5.0, O-charge) with R(2)= 0.940 and q(pre)(2)= 0.879, was employed with IC(50) evaluation of the proposed alkyl-seleno/tocopheryl esters (S-1 to S-4). Calculated antiproliferative activities of the designed compounds, IC(50)(S-1): 25.65 mu M and IC(50)(S-4): 31.36 mu M, were significantly stronger than activities of other related anticancer agents, IC(50): 4-1461 mu M.",
publisher = "Bentham Science Publ Ltd, Sharjah",
journal = "Letters in Drug Design and Discovery",
title = "QSAR Study and Design of Novel Organoselenium and alpha-Tocopherol Derivatives with Enhanced Chemotherapeutic Activity",
volume = "6",
number = "3",
pages = "228-235",
doi = "10.2174/157018009787847882"
}

Nikolić, K.,& Agbaba, D.. (2009). QSAR Study and Design of Novel Organoselenium and alpha-Tocopherol Derivatives with Enhanced Chemotherapeutic Activity. in Letters in Drug Design and Discovery
Bentham Science Publ Ltd, Sharjah., 6(3), 228-235.
https://doi.org/10.2174/157018009787847882

Nikolić K, Agbaba D. QSAR Study and Design of Novel Organoselenium and alpha-Tocopherol Derivatives with Enhanced Chemotherapeutic Activity. in Letters in Drug Design and Discovery. 2009;6(3):228-235.
doi:10.2174/157018009787847882 .

Nikolić, Katarina, Agbaba, Danica, "QSAR Study and Design of Novel Organoselenium and alpha-Tocopherol Derivatives with Enhanced Chemotherapeutic Activity" in Letters in Drug Design and Discovery, 6, no. 3 (2009):228-235,
https://doi.org/10.2174/157018009787847882 . .

TY  - JOUR
AU  - Nikolić, Katarina
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1224
AB  - Quantitative structure-activity relationships (QSAR) study has been performed for two sets of the antitumor drugs against human breast cancer MCF-7 cell lines, alpha-tocopherol and cholesterol derivatives. Constitutional, geometrical, physico-chemical and electronic descriptors (using the density functional theory, B3LYP/6-31G (d,p) basis set) were computed and analyzed. The most relevant of these descriptors were grouped and multiple linear regressions have been carried out. Optimal QSAR models with three and four variables, R-2 > 0.95 and cross-validation parameter q(pre)(2) > 0.88, were selected. Based on the QSAR study, novel vitamin-E derivatives (compounds D-1 and D-2) were designed and their antiproliferative activities were evaluated using the proposed regression models. Calculated antiproliferative activities of the designed compounds, IC50 (D-1): 3.09 mu M and IC50 (D-2): 3.54 mu M, were significantly stronger than anticancer effect of the other analyzed compounds IC50: 4-1461 mu M.
PB  - Elsevier Science Inc, New York
T2  - Journal of Molecular Graphics & Modelling
T1  - Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells
VL  - 27
IS  - 7
SP  - 777
EP  - 783
DO  - 10.1016/j.jmgm.2008.11.007
ER  - 

@article{
author = "Nikolić, Katarina and Agbaba, Danica",
year = "2009",
abstract = "Quantitative structure-activity relationships (QSAR) study has been performed for two sets of the antitumor drugs against human breast cancer MCF-7 cell lines, alpha-tocopherol and cholesterol derivatives. Constitutional, geometrical, physico-chemical and electronic descriptors (using the density functional theory, B3LYP/6-31G (d,p) basis set) were computed and analyzed. The most relevant of these descriptors were grouped and multiple linear regressions have been carried out. Optimal QSAR models with three and four variables, R-2 > 0.95 and cross-validation parameter q(pre)(2) > 0.88, were selected. Based on the QSAR study, novel vitamin-E derivatives (compounds D-1 and D-2) were designed and their antiproliferative activities were evaluated using the proposed regression models. Calculated antiproliferative activities of the designed compounds, IC50 (D-1): 3.09 mu M and IC50 (D-2): 3.54 mu M, were significantly stronger than anticancer effect of the other analyzed compounds IC50: 4-1461 mu M.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Molecular Graphics & Modelling",
title = "Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells",
volume = "27",
number = "7",
pages = "777-783",
doi = "10.1016/j.jmgm.2008.11.007"
}

Nikolić, K.,& Agbaba, D.. (2009). Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells. in Journal of Molecular Graphics & Modelling
Elsevier Science Inc, New York., 27(7), 777-783.
https://doi.org/10.1016/j.jmgm.2008.11.007

Nikolić K, Agbaba D. Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells. in Journal of Molecular Graphics & Modelling. 2009;27(7):777-783.
doi:10.1016/j.jmgm.2008.11.007 .

Nikolić, Katarina, Agbaba, Danica, "Design and QSAR study of analogs of gamma-tocotrienol with enhanced anti proliferative activity against human breast cancer cells" in Journal of Molecular Graphics & Modelling, 27, no. 7 (2009):777-783,
https://doi.org/10.1016/j.jmgm.2008.11.007 . .

TY  - JOUR
AU  - Nikolić, Katarina
AU  - Agbaba, Danica
PY  - 2009
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1200
AB  - Twenty-nine drugs of different structures were used in theoretical QSAR analysis of human hepatic microsomal intrinsic clearance (in vitro T(1/2) and in vitro CL(int)') and whole body clearance (CL(blood)). The examined compounds demonstrated a wide range of scaled intrinsic clearance values. Constitutional, geometrical, physico-chemical and electronic descriptors were computed for the examined structures by use of the Marvin Sketch 5.1.3_2, the Chem3D Ultra 7.0.0 and the Dragon 5.4 program. Partial least squares regression (PLSR), has been applied for selection of the most relevant molecular descriptors and development of quantitative structure-activity relatioship (QSAR) model for human hepatic microsomal intrinsic clearance (in vitro T(1/2)). Optimal QSAR models with nine and ten variables, R(2) > 0.808 and cross-validation parameter q(pre)(2) > 0.623, were selected and compared. Since the microsomal in vitro T(1/2) data can be used for calculation of in vitro CL(int)' and in vivo CL(blood), the developed QSAR model will enable one to analyze the kinetics of cytochrome P450-mediated reactions in term of intrinsic clearance and whole body clearance. A comparison is made between predictions produced from the QSAR analysis and experimental data, and there appears to be generally satisfactory correlations with the literature values for intrinsic clearance data.
PB  - Elsevier Science Inc, New York
T2  - Journal of Molecular Graphics & Modelling
T1  - Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs
VL  - 28
IS  - 3
SP  - 245
EP  - 252
DO  - 10.1016/j.jmgm.2009.08.002
ER  - 

@article{
author = "Nikolić, Katarina and Agbaba, Danica",
year = "2009",
abstract = "Twenty-nine drugs of different structures were used in theoretical QSAR analysis of human hepatic microsomal intrinsic clearance (in vitro T(1/2) and in vitro CL(int)') and whole body clearance (CL(blood)). The examined compounds demonstrated a wide range of scaled intrinsic clearance values. Constitutional, geometrical, physico-chemical and electronic descriptors were computed for the examined structures by use of the Marvin Sketch 5.1.3_2, the Chem3D Ultra 7.0.0 and the Dragon 5.4 program. Partial least squares regression (PLSR), has been applied for selection of the most relevant molecular descriptors and development of quantitative structure-activity relatioship (QSAR) model for human hepatic microsomal intrinsic clearance (in vitro T(1/2)). Optimal QSAR models with nine and ten variables, R(2) > 0.808 and cross-validation parameter q(pre)(2) > 0.623, were selected and compared. Since the microsomal in vitro T(1/2) data can be used for calculation of in vitro CL(int)' and in vivo CL(blood), the developed QSAR model will enable one to analyze the kinetics of cytochrome P450-mediated reactions in term of intrinsic clearance and whole body clearance. A comparison is made between predictions produced from the QSAR analysis and experimental data, and there appears to be generally satisfactory correlations with the literature values for intrinsic clearance data.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Molecular Graphics & Modelling",
title = "Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs",
volume = "28",
number = "3",
pages = "245-252",
doi = "10.1016/j.jmgm.2009.08.002"
}

Nikolić, K.,& Agbaba, D.. (2009). Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs. in Journal of Molecular Graphics & Modelling
Elsevier Science Inc, New York., 28(3), 245-252.
https://doi.org/10.1016/j.jmgm.2009.08.002

Nikolić K, Agbaba D. Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs. in Journal of Molecular Graphics & Modelling. 2009;28(3):245-252.
doi:10.1016/j.jmgm.2009.08.002 .

Nikolić, Katarina, Agbaba, Danica, "Prediction of hepatic microsomal intrinsic clearance and human clearance values for drugs" in Journal of Molecular Graphics & Modelling, 28, no. 3 (2009):245-252,
https://doi.org/10.1016/j.jmgm.2009.08.002 . .

TY  - CONF
AU  - Nikolić, Katarina
AU  - Filipić, Slavica
AU  - Agbaba, Danica
PY  - 2008
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5219
AB  - Selective I1-receptor (I1-R) ligands are used clinically to reduce blood pressure. Thus, there is significant interest in developing theoretical models for design and evaluation of novel imidazoline analogs with high selectivity and affinity for I1 receptors. ...
PB  - Swedish Chemical Socety
C3  - 17th European Symposium on QSAR in “omics” and Systems Biology
T1  - The QSAR study of selective I1-Imidazoline Receptor Ligands
SP  - 15
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5219
ER  - 

@conference{
author = "Nikolić, Katarina and Filipić, Slavica and Agbaba, Danica",
year = "2008",
abstract = "Selective I1-receptor (I1-R) ligands are used clinically to reduce blood pressure. Thus, there is significant interest in developing theoretical models for design and evaluation of novel imidazoline analogs with high selectivity and affinity for I1 receptors. ...",
publisher = "Swedish Chemical Socety",
journal = "17th European Symposium on QSAR in “omics” and Systems Biology",
title = "The QSAR study of selective I1-Imidazoline Receptor Ligands",
pages = "15",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5219"
}

Nikolić, K., Filipić, S.,& Agbaba, D.. (2008). The QSAR study of selective I1-Imidazoline Receptor Ligands. in 17th European Symposium on QSAR in “omics” and Systems Biology
Swedish Chemical Socety., 15.
https://hdl.handle.net/21.15107/rcub_farfar_5219

Nikolić K, Filipić S, Agbaba D. The QSAR study of selective I1-Imidazoline Receptor Ligands. in 17th European Symposium on QSAR in “omics” and Systems Biology. 2008;:15.
https://hdl.handle.net/21.15107/rcub_farfar_5219 .

Nikolić, Katarina, Filipić, Slavica, Agbaba, Danica, "The QSAR study of selective I1-Imidazoline Receptor Ligands" in 17th European Symposium on QSAR in “omics” and Systems Biology (2008):15,
https://hdl.handle.net/21.15107/rcub_farfar_5219 .

TY  - JOUR
AU  - Aleksić, Mara
AU  - Kapetanović, Vera
AU  - Atanacković, Jasmina
AU  - Jocić, Biljana
AU  - Zečević, Mira
PY  - 2008
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1032
AB  - Two rapid, accurate and sensitive methods are developed and validated for the quantitative simultaneous determination of cefotaxime (CFX) and its active metabolite desacetylcefotaxime (DCFX) in urine. Based on the previous results which showed the four electron reduction of CFX at approximate to -0.5 V, and the new findings that DCFX reduction occurred at more positive potential (-0.23 V), the new adsorptive stripping differential pulse voltammetric (AdSDPV) method was developed for determination of CFX in the presence of DCFX. Linear responses were observed over a wide concentration range (0.07-0.52 mu g/ml for CFX and 0.22-1.3 mu g/ml for DCFX) in urine. The second assay involves subsequent separation on a reversed-phase HPLC column, with ultraviolet detection at 262 nm. Retention times were 4.057 and 1.960 min for CFX and DCFX, respectively. Linear responses were observed over a wide range, 0.55-6.60 mu g/ml for CFX and 1.10-11.00 mu g/ml for DCFX, in urine. The statistical evaluation for both methods was examined by means of within-day repeatability (n=5) and day-to-day precision (n=3) and was found to be satisfactory with high accuracy and precision.
PB  - Elsevier Science BV, Amsterdam
T2  - Talanta
T1  - Simultaneous determination of cefotaxime and desacetylcefotaxime in real urine sample using voltammetric and high-performance liquid chromatographic methods
VL  - 77
IS  - 1
SP  - 131
EP  - 137
DO  - 10.1016/j.talanta.2008.05.047
ER  - 

@article{
author = "Aleksić, Mara and Kapetanović, Vera and Atanacković, Jasmina and Jocić, Biljana and Zečević, Mira",
year = "2008",
abstract = "Two rapid, accurate and sensitive methods are developed and validated for the quantitative simultaneous determination of cefotaxime (CFX) and its active metabolite desacetylcefotaxime (DCFX) in urine. Based on the previous results which showed the four electron reduction of CFX at approximate to -0.5 V, and the new findings that DCFX reduction occurred at more positive potential (-0.23 V), the new adsorptive stripping differential pulse voltammetric (AdSDPV) method was developed for determination of CFX in the presence of DCFX. Linear responses were observed over a wide concentration range (0.07-0.52 mu g/ml for CFX and 0.22-1.3 mu g/ml for DCFX) in urine. The second assay involves subsequent separation on a reversed-phase HPLC column, with ultraviolet detection at 262 nm. Retention times were 4.057 and 1.960 min for CFX and DCFX, respectively. Linear responses were observed over a wide range, 0.55-6.60 mu g/ml for CFX and 1.10-11.00 mu g/ml for DCFX, in urine. The statistical evaluation for both methods was examined by means of within-day repeatability (n=5) and day-to-day precision (n=3) and was found to be satisfactory with high accuracy and precision.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "Talanta",
title = "Simultaneous determination of cefotaxime and desacetylcefotaxime in real urine sample using voltammetric and high-performance liquid chromatographic methods",
volume = "77",
number = "1",
pages = "131-137",
doi = "10.1016/j.talanta.2008.05.047"
}

Aleksić, M., Kapetanović, V., Atanacković, J., Jocić, B.,& Zečević, M.. (2008). Simultaneous determination of cefotaxime and desacetylcefotaxime in real urine sample using voltammetric and high-performance liquid chromatographic methods. in Talanta
Elsevier Science BV, Amsterdam., 77(1), 131-137.
https://doi.org/10.1016/j.talanta.2008.05.047

Aleksić M, Kapetanović V, Atanacković J, Jocić B, Zečević M. Simultaneous determination of cefotaxime and desacetylcefotaxime in real urine sample using voltammetric and high-performance liquid chromatographic methods. in Talanta. 2008;77(1):131-137.
doi:10.1016/j.talanta.2008.05.047 .

Aleksić, Mara, Kapetanović, Vera, Atanacković, Jasmina, Jocić, Biljana, Zečević, Mira, "Simultaneous determination of cefotaxime and desacetylcefotaxime in real urine sample using voltammetric and high-performance liquid chromatographic methods" in Talanta, 77, no. 1 (2008):131-137,
https://doi.org/10.1016/j.talanta.2008.05.047 . .