Cvijetić, Ilija

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Authority KeyName Variants
orcid::0000-0002-5568-6172
  • Cvijetić, Ilija (44)
Projects
Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds
Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids High-Performance Computing Infrastructure for South East Europe's Research Communities
COST Action CM1106 StemChem - Chemical Approaches to Targeting Drug Resistance in Cancer Stem Cells EU
Reinforcement of the Faculty of Chemistry, University of Belgrade, towards becoming a Center of Excellence in the region of WB for Molecular Biotechnology and Food research Modeling and Numerical Simulations of Complex Many-Body Systems
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200135 (University of Belgrade, Faculty of Technology and Metallurgy)
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200288 (Innovation Center of the Faculty of Chemistry) European Commission
Hungarian OTKA Foundation [104234, 119732] The synthesis of aminoquinoline-based antimalarials and botulinum neurotoxin A inhibitors
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200325 (Military Technical Institute - MTI, Belgrade)
Development of integrated management of harmful organisms in plant production in order to overcome resistance and to improve food quality and safety Ministry of Higher Education, Science and Technology of the Republic of Slovenia through Grant P1-0012
Serbian Academy of Sciences and Arts [F80] The part of the bilateral project between Serbia and Montenegro titled “Synthesis of Schiff bases and investigation of their antimicrobial and antioxidant activity.”
University of Hertfordshire Strengthening of the MagBioVin Research and Innovation Team for Development of Novel Approaches for Tumour Therapy based on Nanostructured Materials
Studying climate change and its influence on environment: impacts, adaptation and mitigation Synthesis, characterization and activity of organic and coordination composition and their application in (bio) nanotechnology
Peroksidni antimalarici i njihove himere sa hinolinima: sinteza i biološka aktivnost

Author's Bibliography

Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study

Stojiljković, Ivana N.; Rančić, Milica; Marinković, Aleksandar; Cvijetić, Ilija; Milčić, Miloš K.

(Elsevier, 2021)

TY  - JOUR
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4420
AB  - Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study
VL  - 253
SP  - 119576
DO  - 10.1016/j.saa.2021.119576
ER  - 
@article{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
url = "https://www.sciencedirect.com/science/article/pii/S1386142521001529, http://cherry.chem.bg.ac.rs/handle/123456789/4420",
abstract = "Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study",
volume = "253",
pages = "119576",
doi = "10.1016/j.saa.2021.119576"
}
Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K. (2021). Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study.
Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier., 253, 119576.
https://doi.org/10.1016/j.saa.2021.119576
Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;253:119576
Stojiljković Ivana N., Rančić Milica, Marinković Aleksandar, Cvijetić Ilija, Milčić Miloš K., "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study" Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 253 (2021):119576,
https://doi.org/10.1016/j.saa.2021.119576 .

Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.

Stojiljković, Ivana N.; Rančić, Milica; Marinković, Aleksandar; Cvijetić, Ilija; Milčić, Miloš K.

(Elsevier, 2021)

TY  - BOOK
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4421
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.
ER  - 
@book{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
url = "https://www.sciencedirect.com/science/article/pii/S1386142521001529, http://cherry.chem.bg.ac.rs/handle/123456789/4421",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576."
}
Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K. (2021). Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576..
Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier..
Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;
Stojiljković Ivana N., Rančić Milica, Marinković Aleksandar, Cvijetić Ilija, Milčić Miloš K., "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576." Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2021)

Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study

Tomašević, Anđelka; Mijin, Dušan; Radišić, Marina; Prlainović, Nevena; Cvijetić, Ilija; Kovačević, Danijela V.; Marinković, Aleksandar

(Elsevier, 2020)

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela V.
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3832
AB  - This study describes photolysis of 1 × 10–4 M methomyl solution in deionized water and in eleven organic solvents, both polar and nonpolar: methanol, ethanol, n-propanol, isopropanol, sec-butanol, tert-butanol, isobutanol, isopentanol, n-hexane, acetonitrile, and dichloromethane. Photolysis of methomyl at 254 nm was performed using Osram mercury lamp (6 × 8 W) by exposing to irradiation for five hours. All photolytic methomyl reactions were studied by UV/Vis spectroscopy within a wavelength range of 190−300 nm (Spectrum Mode), and at 233.4 nm (Quantitative Mode), while the rate of photodecomposition of methomyl was measured using UV spectroscopy and HPLC. In order to get better insight in the photolysis of methomyl, a liquid chromatography-mass spectrometry (LC–MSn) was used. The rate of methomyl photolysis was solvent-specific and the following reaction rate order was established: deionized water > tert-butanol > n-hexane > sec-butanol > ethanol > isopentanol > isobutanol > isopropanol > methanol > acetonitrile > dichloromethane > n-propanol. Both nonspecific and specific solvent-solute interactions contribute mutually to the differences in the obtained quantum yields. Results of quantum chemical calculations, using CBS-QB3 method, provided insights into the solvent effects on both ground and excited state. The LC/MSn analysis showed the formation of several photolytic products.
PB  - Elsevier
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study
VL  - 391
SP  - e112366
DO  - 10.1016/j.jphotochem.2020.112366
ER  - 
@article{
author = "Tomašević, Anđelka and Mijin, Dušan and Radišić, Marina and Prlainović, Nevena and Cvijetić, Ilija and Kovačević, Danijela V. and Marinković, Aleksandar",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3832",
abstract = "This study describes photolysis of 1 × 10–4 M methomyl solution in deionized water and in eleven organic solvents, both polar and nonpolar: methanol, ethanol, n-propanol, isopropanol, sec-butanol, tert-butanol, isobutanol, isopentanol, n-hexane, acetonitrile, and dichloromethane. Photolysis of methomyl at 254 nm was performed using Osram mercury lamp (6 × 8 W) by exposing to irradiation for five hours. All photolytic methomyl reactions were studied by UV/Vis spectroscopy within a wavelength range of 190−300 nm (Spectrum Mode), and at 233.4 nm (Quantitative Mode), while the rate of photodecomposition of methomyl was measured using UV spectroscopy and HPLC. In order to get better insight in the photolysis of methomyl, a liquid chromatography-mass spectrometry (LC–MSn) was used. The rate of methomyl photolysis was solvent-specific and the following reaction rate order was established: deionized water > tert-butanol > n-hexane > sec-butanol > ethanol > isopentanol > isobutanol > isopropanol > methanol > acetonitrile > dichloromethane > n-propanol. Both nonspecific and specific solvent-solute interactions contribute mutually to the differences in the obtained quantum yields. Results of quantum chemical calculations, using CBS-QB3 method, provided insights into the solvent effects on both ground and excited state. The LC/MSn analysis showed the formation of several photolytic products.",
publisher = "Elsevier",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study",
volume = "391",
pages = "e112366",
doi = "10.1016/j.jphotochem.2020.112366"
}
Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D. V.,& Marinković, A. (2020). Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study.
Journal of Photochemistry and Photobiology A: Chemistry
Elsevier., 391, e112366.
https://doi.org/10.1016/j.jphotochem.2020.112366
Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević DV, Marinković A. Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. Journal of Photochemistry and Photobiology A: Chemistry. 2020;391:e112366
Tomašević Anđelka, Mijin Dušan, Radišić Marina, Prlainović Nevena, Cvijetić Ilija, Kovačević Danijela V., Marinković Aleksandar, "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study" Journal of Photochemistry and Photobiology A: Chemistry, 391 (2020):e112366,
https://doi.org/10.1016/j.jphotochem.2020.112366 .

Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366

Tomašević, Anđelka; Mijin, Dušan; Radišić, Marina; Prlainović, Nevena; Cvijetić, Ilija; Kovačević, Danijela V.; Marinković, Aleksandar

(Elsevier, 2020)

TY  - BOOK
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela V.
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3833
PB  - Elsevier
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366
ER  - 
@book{
author = "Tomašević, Anđelka and Mijin, Dušan and Radišić, Marina and Prlainović, Nevena and Cvijetić, Ilija and Kovačević, Danijela V. and Marinković, Aleksandar",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3833",
publisher = "Elsevier",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366"
}
Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D. V.,& Marinković, A. (2020). Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366.
Journal of Photochemistry and Photobiology A: Chemistry
Elsevier..
Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević DV, Marinković A. Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366. Journal of Photochemistry and Photobiology A: Chemistry. 2020;
Tomašević Anđelka, Mijin Dušan, Radišić Marina, Prlainović Nevena, Cvijetić Ilija, Kovačević Danijela V., Marinković Aleksandar, "Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366" Journal of Photochemistry and Photobiology A: Chemistry (2020)

Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane

Perendija, Jovana; Veličković, Zlate; Cvijetić, Ilija; Rušmirović, Jelena D.; Ugrinović, Vukašin; Marinković, Aleksandar; Onjia, Antonije E.

(Springer, 2020)

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate
AU  - Cvijetić, Ilija
AU  - Rušmirović, Jelena D.
AU  - Ugrinović, Vukašin
AU  - Marinković, Aleksandar
AU  - Onjia, Antonije E.
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4204
AB  - An optimized method is presented to make magnetite (MG) modified cellulose membrane (Cell-MG) from 3-aminopropyltriethoxysilane and diethylenetriaminepentaacetic acid dianhydride functionalized waste cell fibers; (Cell-NH2 and Cell-DTPA), and amino-modified diatomite. Functionalized Cell-NH2, Cell-DTPA fibers, and diatomite were structurally and morphologically characterized using FT-IR, Raman, and FE-SEM analysis. Amino and carboxyl group content was determined via standard volumetric methods. Response surface method was applied to rationalize the number of experiments related to Cell-MG synthesis and heavy metal ions column adsorption experiments. The effects of pH, contact time, temperature, and initial concentration of pollutants on adsorption and kinetics were studied in a batch, while initial concentration and flow rate were studied in a flow system. The calculated capacities of 88.2, 100.7, 95.8 and 78.2 mg g−1 for Ni2+, Pb2+, Cr(VI) and As(V) ions, respectively, were obtained from Langmuir model fitting. Intra-particle diffusion as a rate-limiting step was evaluated from pseudo-second-order and Weber–Morris model fitting. Thermodynamic parameters indicated spontaneous and low endothermic processes. The results from reusability study, wastewater purification and fixed-bed column study proved the high applicability of Cell-MG. Additionally, high removal capacity of four dyes together with density functional theory and molecular interaction fields, help in the establishment of relation between the adsorption performances and contribution of non-specific and specific interactions at adsorbate/adsorbent interface.
PB  - Springer
T2  - Cellulose
T1  - Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane
VL  - 27
IS  - 14
SP  - 8215
EP  - 8235
DO  - 10.1007/s10570-020-03352-x
ER  - 
@article{
author = "Perendija, Jovana and Veličković, Zlate and Cvijetić, Ilija and Rušmirović, Jelena D. and Ugrinović, Vukašin and Marinković, Aleksandar and Onjia, Antonije E.",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/4204",
abstract = "An optimized method is presented to make magnetite (MG) modified cellulose membrane (Cell-MG) from 3-aminopropyltriethoxysilane and diethylenetriaminepentaacetic acid dianhydride functionalized waste cell fibers; (Cell-NH2 and Cell-DTPA), and amino-modified diatomite. Functionalized Cell-NH2, Cell-DTPA fibers, and diatomite were structurally and morphologically characterized using FT-IR, Raman, and FE-SEM analysis. Amino and carboxyl group content was determined via standard volumetric methods. Response surface method was applied to rationalize the number of experiments related to Cell-MG synthesis and heavy metal ions column adsorption experiments. The effects of pH, contact time, temperature, and initial concentration of pollutants on adsorption and kinetics were studied in a batch, while initial concentration and flow rate were studied in a flow system. The calculated capacities of 88.2, 100.7, 95.8 and 78.2 mg g−1 for Ni2+, Pb2+, Cr(VI) and As(V) ions, respectively, were obtained from Langmuir model fitting. Intra-particle diffusion as a rate-limiting step was evaluated from pseudo-second-order and Weber–Morris model fitting. Thermodynamic parameters indicated spontaneous and low endothermic processes. The results from reusability study, wastewater purification and fixed-bed column study proved the high applicability of Cell-MG. Additionally, high removal capacity of four dyes together with density functional theory and molecular interaction fields, help in the establishment of relation between the adsorption performances and contribution of non-specific and specific interactions at adsorbate/adsorbent interface.",
publisher = "Springer",
journal = "Cellulose",
title = "Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane",
volume = "27",
number = "14",
pages = "8215-8235",
doi = "10.1007/s10570-020-03352-x"
}
Perendija, J., Veličković, Z., Cvijetić, I., Rušmirović, J. D., Ugrinović, V., Marinković, A.,& Onjia, A. E. (2020). Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane.
Cellulose
Springer., 27(14), 8215-8235.
https://doi.org/10.1007/s10570-020-03352-x
Perendija J, Veličković Z, Cvijetić I, Rušmirović JD, Ugrinović V, Marinković A, Onjia AE. Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane. Cellulose. 2020;27(14):8215-8235
Perendija Jovana, Veličković Zlate, Cvijetić Ilija, Rušmirović Jelena D., Ugrinović Vukašin, Marinković Aleksandar, Onjia Antonije E., "Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane" Cellulose, 27, no. 14 (2020):8215-8235,
https://doi.org/10.1007/s10570-020-03352-x .
1
1
1

Supplementary data for the article: Perendija, J.; Veličković, Z. S.; Cvijetić, I.; Rusmirović, J. D.; Ugrinović, V.; Marinković, A. D.; Onjia, A. Batch and Column Adsorption of Cations, Oxyanions and Dyes on a Magnetite Modified Cellulose-Based Membrane. Cellulose 2020, 27 (14), 8215–8235. https://doi.org/10.1007/s10570-020-03352-x

Perendija, Jovana; Veličković, Zlate; Cvijetić, Ilija; Rušmirović, Jelena D.; Ugrinović, Vukašin; Marinković, Aleksandar; Onjia, Antonije E.

(Springer, 2020)

TY  - BOOK
AU  - Perendija, Jovana
AU  - Veličković, Zlate
AU  - Cvijetić, Ilija
AU  - Rušmirović, Jelena D.
AU  - Ugrinović, Vukašin
AU  - Marinković, Aleksandar
AU  - Onjia, Antonije E.
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4205
PB  - Springer
T2  - Cellulose
T1  - Supplementary data for the article: Perendija, J.; Veličković, Z. S.; Cvijetić, I.; Rusmirović, J. D.; Ugrinović, V.; Marinković, A. D.; Onjia, A. Batch and Column Adsorption of Cations, Oxyanions and Dyes on a Magnetite Modified Cellulose-Based Membrane. Cellulose 2020, 27 (14), 8215–8235. https://doi.org/10.1007/s10570-020-03352-x
ER  - 
@book{
author = "Perendija, Jovana and Veličković, Zlate and Cvijetić, Ilija and Rušmirović, Jelena D. and Ugrinović, Vukašin and Marinković, Aleksandar and Onjia, Antonije E.",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/4205",
publisher = "Springer",
journal = "Cellulose",
title = "Supplementary data for the article: Perendija, J.; Veličković, Z. S.; Cvijetić, I.; Rusmirović, J. D.; Ugrinović, V.; Marinković, A. D.; Onjia, A. Batch and Column Adsorption of Cations, Oxyanions and Dyes on a Magnetite Modified Cellulose-Based Membrane. Cellulose 2020, 27 (14), 8215–8235. https://doi.org/10.1007/s10570-020-03352-x"
}
Perendija, J., Veličković, Z., Cvijetić, I., Rušmirović, J. D., Ugrinović, V., Marinković, A.,& Onjia, A. E. (2020). Supplementary data for the article: Perendija, J.; Veličković, Z. S.; Cvijetić, I.; Rusmirović, J. D.; Ugrinović, V.; Marinković, A. D.; Onjia, A. Batch and Column Adsorption of Cations, Oxyanions and Dyes on a Magnetite Modified Cellulose-Based Membrane. Cellulose 2020, 27 (14), 8215–8235. https://doi.org/10.1007/s10570-020-03352-x.
Cellulose
Springer..
Perendija J, Veličković Z, Cvijetić I, Rušmirović JD, Ugrinović V, Marinković A, Onjia AE. Supplementary data for the article: Perendija, J.; Veličković, Z. S.; Cvijetić, I.; Rusmirović, J. D.; Ugrinović, V.; Marinković, A. D.; Onjia, A. Batch and Column Adsorption of Cations, Oxyanions and Dyes on a Magnetite Modified Cellulose-Based Membrane. Cellulose 2020, 27 (14), 8215–8235. https://doi.org/10.1007/s10570-020-03352-x. Cellulose. 2020;
Perendija Jovana, Veličković Zlate, Cvijetić Ilija, Rušmirović Jelena D., Ugrinović Vukašin, Marinković Aleksandar, Onjia Antonije E., "Supplementary data for the article: Perendija, J.; Veličković, Z. S.; Cvijetić, I.; Rusmirović, J. D.; Ugrinović, V.; Marinković, A. D.; Onjia, A. Batch and Column Adsorption of Cations, Oxyanions and Dyes on a Magnetite Modified Cellulose-Based Membrane. Cellulose 2020, 27 (14), 8215–8235. https://doi.org/10.1007/s10570-020-03352-x" Cellulose (2020)

Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents

Milošević, Milena D.; Marinković, Aleksandar ; Petrović, Predrag; Klaus, Anita; Nikolić, Milica G.; Prlainović, Nevena Ž.; Cvijetić, Ilija

(Elsevier, 2020)

TY  - JOUR
AU  - Milošević, Milena D.
AU  - Marinković, Aleksandar 
AU  - Petrović, Predrag
AU  - Klaus, Anita
AU  - Nikolić, Milica G.
AU  - Prlainović, Nevena Ž.
AU  - Cvijetić, Ilija
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4254
AB  - In this study we synthesized a series of sixteen bis(imino)pyridines (BIPs) starting from 2,6-diaminopyridine and various aromatic aldehydes, and evaluated their antioxidant, antibacterial, antifungal and acetylcholinesterase (AChE) inhibitory activity. The chemical structures were elucidated by FTIR, elemental analysis, ESR and HRMS. 1 H and 13C NMR spectra couldn’t be acquired due to the formation of stable, carbon-centered radical cations in a solution, as confirmed by ESR spectroscopy and DFT calculations. The in vitro antioxidant potency was evaluated using four assays: free radical scavenging activity (DPPH and ABTS), reducing power and total antioxidant capacity assay. BIPs demonstrated excellent antioxidant properties, and two derivatives proved to be more potent than reference antioxidants (ascorbic acid and Trolox) in all assays. DFT calculations on ωB97XD/6- 311++g(d,p) level of theory provided valuable insights into the radical scavenging mechanism of BIPs. For hydroxyl-substituted BIPs, hydrogen atom transfer (HAT) is a predominant mechanism, while the single electron transfer coupled with proton transfer (SET-PT) governs the antioxidant activity of other derivatives. Intramolecular hydrogen bonding (IHB) plays an important role in the mechanism of antioxidant activity as revealed by noncovalent interaction analysis and rotational barrier calculations. The spin density of radical cations is localized on carbon atoms of a pyridine ring, which corroborates with g-factors and multiplicity obtained from ESR analysis. The most potent BIP exhibited moderate inhibitory activity toward AChE (IC50 = 20 ± 4 μM), while molecular docking suggested binding at the peripheral anionic site of AChE with the MMFF94 binding enthalpy of −43.4 kcal/mol. Moderate in vitro antimicrobial activity of BIPs have been determined against several pathogenic bacterial strains: Pseudomonas aeruginosa, Escherichia coli, Enterococcus faecalis, Staphylococcus aureus and clinical isolate of methicillin resistant S. aureus (MRSA). The antifungal activity of BIPs toward Candida albicans was also confirmed. The similarity ensemble approach combined with molecular docking suggested leucyl aminopeptidase as the probable antimicrobial target for the three most potent BIP derivatives.
PB  - Elsevier
T2  - Bioorganic Chemistry
T1  - Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents
VL  - 102
DO  - 10.1016/j.bioorg.2020.104073
ER  - 
@article{
author = "Milošević, Milena D. and Marinković, Aleksandar  and Petrović, Predrag and Klaus, Anita and Nikolić, Milica G. and Prlainović, Nevena Ž. and Cvijetić, Ilija",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/4254",
abstract = "In this study we synthesized a series of sixteen bis(imino)pyridines (BIPs) starting from 2,6-diaminopyridine and various aromatic aldehydes, and evaluated their antioxidant, antibacterial, antifungal and acetylcholinesterase (AChE) inhibitory activity. The chemical structures were elucidated by FTIR, elemental analysis, ESR and HRMS. 1 H and 13C NMR spectra couldn’t be acquired due to the formation of stable, carbon-centered radical cations in a solution, as confirmed by ESR spectroscopy and DFT calculations. The in vitro antioxidant potency was evaluated using four assays: free radical scavenging activity (DPPH and ABTS), reducing power and total antioxidant capacity assay. BIPs demonstrated excellent antioxidant properties, and two derivatives proved to be more potent than reference antioxidants (ascorbic acid and Trolox) in all assays. DFT calculations on ωB97XD/6- 311++g(d,p) level of theory provided valuable insights into the radical scavenging mechanism of BIPs. For hydroxyl-substituted BIPs, hydrogen atom transfer (HAT) is a predominant mechanism, while the single electron transfer coupled with proton transfer (SET-PT) governs the antioxidant activity of other derivatives. Intramolecular hydrogen bonding (IHB) plays an important role in the mechanism of antioxidant activity as revealed by noncovalent interaction analysis and rotational barrier calculations. The spin density of radical cations is localized on carbon atoms of a pyridine ring, which corroborates with g-factors and multiplicity obtained from ESR analysis. The most potent BIP exhibited moderate inhibitory activity toward AChE (IC50 = 20 ± 4 μM), while molecular docking suggested binding at the peripheral anionic site of AChE with the MMFF94 binding enthalpy of −43.4 kcal/mol. Moderate in vitro antimicrobial activity of BIPs have been determined against several pathogenic bacterial strains: Pseudomonas aeruginosa, Escherichia coli, Enterococcus faecalis, Staphylococcus aureus and clinical isolate of methicillin resistant S. aureus (MRSA). The antifungal activity of BIPs toward Candida albicans was also confirmed. The similarity ensemble approach combined with molecular docking suggested leucyl aminopeptidase as the probable antimicrobial target for the three most potent BIP derivatives.",
publisher = "Elsevier",
journal = "Bioorganic Chemistry",
title = "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents",
volume = "102",
doi = "10.1016/j.bioorg.2020.104073"
}
Milošević, M. D., Marinković, A., Petrović, P., Klaus, A., Nikolić, M. G., Prlainović, N. Ž.,& Cvijetić, I. (2020). Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents.
Bioorganic Chemistry
Elsevier., 102.
https://doi.org/10.1016/j.bioorg.2020.104073
Milošević MD, Marinković A, Petrović P, Klaus A, Nikolić MG, Prlainović NŽ, Cvijetić I. Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. Bioorganic Chemistry. 2020;102
Milošević Milena D., Marinković Aleksandar , Petrović Predrag, Klaus Anita, Nikolić Milica G., Prlainović Nevena Ž., Cvijetić Ilija, "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents" Bioorganic Chemistry, 102 (2020),
https://doi.org/10.1016/j.bioorg.2020.104073 .
1
2
1

A detailed experimental and computational study of monocarbohydrazones

Božić, Aleksandra R.; Filipović, Nenad R.; Verbić, Tatjana; Milčić, Miloš K.; Todorović, Tamara; Cvijetić, Ilija; Klisurić, Olivera; Radišić, Marina; Marinković, Aleksandar

(Elsevier, 2020)

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Filipović, Nenad R.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Klisurić, Olivera
AU  - Radišić, Marina
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/318
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalán models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK a change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation. © 2017.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - A detailed experimental and computational study of monocarbohydrazones
VL  - 13
IS  - 1
SP  - 932
EP  - 953
DO  - 10.1016/j.arabjc.2017.08.010
ER  - 
@article{
author = "Božić, Aleksandra R. and Filipović, Nenad R. and Verbić, Tatjana and Milčić, Miloš K. and Todorović, Tamara and Cvijetić, Ilija and Klisurić, Olivera and Radišić, Marina and Marinković, Aleksandar",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/318",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalán models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK a change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation. © 2017.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "A detailed experimental and computational study of monocarbohydrazones",
volume = "13",
number = "1",
pages = "932-953",
doi = "10.1016/j.arabjc.2017.08.010"
}
Božić, A. R., Filipović, N. R., Verbić, T., Milčić, M. K., Todorović, T., Cvijetić, I., Klisurić, O., Radišić, M.,& Marinković, A. (2020). A detailed experimental and computational study of monocarbohydrazones.
Arabian Journal of Chemistry
Elsevier., 13(1), 932-953.
https://doi.org/10.1016/j.arabjc.2017.08.010
Božić AR, Filipović NR, Verbić T, Milčić MK, Todorović T, Cvijetić I, Klisurić O, Radišić M, Marinković A. A detailed experimental and computational study of monocarbohydrazones. Arabian Journal of Chemistry. 2020;13(1):932-953
Božić Aleksandra R., Filipović Nenad R., Verbić Tatjana, Milčić Miloš K., Todorović Tamara, Cvijetić Ilija, Klisurić Olivera, Radišić Marina, Marinković Aleksandar, "A detailed experimental and computational study of monocarbohydrazones" Arabian Journal of Chemistry, 13, no. 1 (2020):932-953,
https://doi.org/10.1016/j.arabjc.2017.08.010 .
5
2
4

A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells

Bjelogrlić, Snežana K.; Todorović, Tamara; Cvijetić, Ilija; Rodić, Marko V.; Vujčić, Miroslava; Marković, Sanja B.; Araškov, Jovana; Janović, Barbara; Emhemmed, Fatihi; Muller, Christian D.; Filipović, Nenad R.

(2019)

TY  - JOUR
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Rodić, Marko V.
AU  - Vujčić, Miroslava
AU  - Marković, Sanja B.
AU  - Araškov, Jovana
AU  - Janović, Barbara
AU  - Emhemmed, Fatihi
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2796
AB  - A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 μM induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer. © 2018 Elsevier Inc.
T2  - Journal of Inorganic Biochemistry
T1  - A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells
VL  - 190
SP  - 45
EP  - 66
DO  - 10.1016/j.jinorgbio.2018.10.002
ER  - 
@article{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Rodić, Marko V. and Vujčić, Miroslava and Marković, Sanja B. and Araškov, Jovana and Janović, Barbara and Emhemmed, Fatihi and Muller, Christian D. and Filipović, Nenad R.",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2796",
abstract = "A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 μM induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer. © 2018 Elsevier Inc.",
journal = "Journal of Inorganic Biochemistry",
title = "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells",
volume = "190",
pages = "45-66",
doi = "10.1016/j.jinorgbio.2018.10.002"
}
Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Rodić, M. V., Vujčić, M., Marković, S. B., Araškov, J., Janović, B., Emhemmed, F., Muller, C. D.,& Filipović, N. R. (2019). A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells.
Journal of Inorganic Biochemistry, 190, 45-66.
https://doi.org/10.1016/j.jinorgbio.2018.10.002
Bjelogrlić SK, Todorović T, Cvijetić I, Rodić MV, Vujčić M, Marković SB, Araškov J, Janović B, Emhemmed F, Muller CD, Filipović NR. A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. Journal of Inorganic Biochemistry. 2019;190:45-66
Bjelogrlić Snežana K., Todorović Tamara, Cvijetić Ilija, Rodić Marko V., Vujčić Miroslava, Marković Sanja B., Araškov Jovana, Janović Barbara, Emhemmed Fatihi, Muller Christian D., Filipović Nenad R., "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells" Journal of Inorganic Biochemistry, 190 (2019):45-66,
https://doi.org/10.1016/j.jinorgbio.2018.10.002 .
1
2
3

Supplementary material for the article: Bjelogrlić, S. K.; Todorović, T.; Cvijetić, I.; Rodić, M. V.; Vujčić, M.; Marković, S. B.; Araškov, J.; Janović, B.; Emhemmed, F.; Muller, C. D.; et al. A Novel Binuclear Hydrazone-Based Cd(II) Complex Is a Strong pro-Apoptotic Inducer with Significant Activity against 2D and 3D Pancreatic Cancer Stem Cells. Journal of Inorganic Biochemistry 2019, 190, 45–66. https://doi.org/10.1016/j.jinorgbio.2018.10.002

Bjelogrlić, Snežana K.; Todorović, Tamara; Cvijetić, Ilija; Rodić, Marko; Vujčić, Miroslava; Marković, Sanja B.; Araškov, Jovana; Janović, Barbara; Emhemmed, Fatihi; Muller, Christian D.; Filipović, Nenad R.

(2019)

TY  - BOOK
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Marković, Sanja B.
AU  - Araškov, Jovana
AU  - Janović, Barbara
AU  - Emhemmed, Fatihi
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2975
T2  - Journal of Inorganic Biochemistry
T1  - Supplementary material for the article: Bjelogrlić, S. K.; Todorović, T.; Cvijetić, I.; Rodić, M. V.; Vujčić, M.; Marković, S. B.; Araškov, J.; Janović, B.; Emhemmed, F.; Muller, C. D.; et al. A Novel Binuclear Hydrazone-Based Cd(II) Complex Is a Strong pro-Apoptotic Inducer with Significant Activity against 2D and 3D Pancreatic Cancer Stem Cells. Journal of Inorganic Biochemistry 2019, 190, 45–66. https://doi.org/10.1016/j.jinorgbio.2018.10.002
ER  - 
@book{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Rodić, Marko and Vujčić, Miroslava and Marković, Sanja B. and Araškov, Jovana and Janović, Barbara and Emhemmed, Fatihi and Muller, Christian D. and Filipović, Nenad R.",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2975",
journal = "Journal of Inorganic Biochemistry",
title = "Supplementary material for the article: Bjelogrlić, S. K.; Todorović, T.; Cvijetić, I.; Rodić, M. V.; Vujčić, M.; Marković, S. B.; Araškov, J.; Janović, B.; Emhemmed, F.; Muller, C. D.; et al. A Novel Binuclear Hydrazone-Based Cd(II) Complex Is a Strong pro-Apoptotic Inducer with Significant Activity against 2D and 3D Pancreatic Cancer Stem Cells. Journal of Inorganic Biochemistry 2019, 190, 45–66. https://doi.org/10.1016/j.jinorgbio.2018.10.002"
}
Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Rodić, M., Vujčić, M., Marković, S. B., Araškov, J., Janović, B., Emhemmed, F., Muller, C. D.,& Filipović, N. R. (2019). Supplementary material for the article: Bjelogrlić, S. K.; Todorović, T.; Cvijetić, I.; Rodić, M. V.; Vujčić, M.; Marković, S. B.; Araškov, J.; Janović, B.; Emhemmed, F.; Muller, C. D.; et al. A Novel Binuclear Hydrazone-Based Cd(II) Complex Is a Strong pro-Apoptotic Inducer with Significant Activity against 2D and 3D Pancreatic Cancer Stem Cells. Journal of Inorganic Biochemistry 2019, 190, 45–66. https://doi.org/10.1016/j.jinorgbio.2018.10.002.
Journal of Inorganic Biochemistry.
Bjelogrlić SK, Todorović T, Cvijetić I, Rodić M, Vujčić M, Marković SB, Araškov J, Janović B, Emhemmed F, Muller CD, Filipović NR. Supplementary material for the article: Bjelogrlić, S. K.; Todorović, T.; Cvijetić, I.; Rodić, M. V.; Vujčić, M.; Marković, S. B.; Araškov, J.; Janović, B.; Emhemmed, F.; Muller, C. D.; et al. A Novel Binuclear Hydrazone-Based Cd(II) Complex Is a Strong pro-Apoptotic Inducer with Significant Activity against 2D and 3D Pancreatic Cancer Stem Cells. Journal of Inorganic Biochemistry 2019, 190, 45–66. https://doi.org/10.1016/j.jinorgbio.2018.10.002. Journal of Inorganic Biochemistry. 2019;
Bjelogrlić Snežana K., Todorović Tamara, Cvijetić Ilija, Rodić Marko, Vujčić Miroslava, Marković Sanja B., Araškov Jovana, Janović Barbara, Emhemmed Fatihi, Muller Christian D., Filipović Nenad R., "Supplementary material for the article: Bjelogrlić, S. K.; Todorović, T.; Cvijetić, I.; Rodić, M. V.; Vujčić, M.; Marković, S. B.; Araškov, J.; Janović, B.; Emhemmed, F.; Muller, C. D.; et al. A Novel Binuclear Hydrazone-Based Cd(II) Complex Is a Strong pro-Apoptotic Inducer with Significant Activity against 2D and 3D Pancreatic Cancer Stem Cells. Journal of Inorganic Biochemistry 2019, 190, 45–66. https://doi.org/10.1016/j.jinorgbio.2018.10.002" Journal of Inorganic Biochemistry (2019)

The in vitro protective effects of the three novel nanomolar reversible inhibitors of human cholinesterases against irreversible inhibition by organophosphorous chemical warfare agents

Vitorović-Todorović, Maja; Worek, Franz; Perdih, Andrej; Bauk, Sonja Đ.; Vujatović, Tamara B.; Cvijetić, Ilija

(Elsevier, 2019)

TY  - JOUR
AU  - Vitorović-Todorović, Maja
AU  - Worek, Franz
AU  - Perdih, Andrej
AU  - Bauk, Sonja Đ.
AU  - Vujatović, Tamara B.
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3300
AB  - Acetylcholinesterase (AChE) is an enzyme which terminates the cholinergic neurotransmission, by hydrolyzing acetylcholine at the nerve and nerve-muscle junctions. The reversible inhibition of AChE was suggested as the pre-treatment option of the intoxications caused by nerve agents. Based on our derived 3D-QSAR model for the reversible AChE inhibitors, we designed and synthesized three novel compounds 8-10, joining the tacrine and aroylacrylic acid phenylamide moieties, with a longer methylene chain to target two distinct, toplogically separated anionic areas on the AChE. The targeted compounds exerted low nanomolar to subnanomolar potency toward the E. eel and human AChE's as well as the human BChE and showed mixed inhibition type in kinetic studies. All compounds were able to slow down the irreversible inhibition of the human AChE by several nerve agents including tabun, soman and VX, with the estimated protective indices around 5, indicating a valuable level of protection. Putative noncovalent interactions of the selected ligand 10 with AChE active site gorge were finally explored by molecular dynamics simulation suggesting a formation of the salt bridge between the protonated linker amino group and the negatively charged Asp74 carboxylate side chain as a significant player for the successful molecular recognition in line with the design strategy. The designed compounds may represent a new class of promising leads for the development of more effective pre-treatment options.
PB  - Elsevier
T2  - Chemico-Biological Interactions
T1  - The in vitro protective effects of the three novel nanomolar reversible inhibitors of human cholinesterases against irreversible inhibition by organophosphorous chemical warfare agents
VL  - 309
DO  - 10.1016/j.cbi.2019.06.027
ER  - 
@article{
author = "Vitorović-Todorović, Maja and Worek, Franz and Perdih, Andrej and Bauk, Sonja Đ. and Vujatović, Tamara B. and Cvijetić, Ilija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3300",
abstract = "Acetylcholinesterase (AChE) is an enzyme which terminates the cholinergic neurotransmission, by hydrolyzing acetylcholine at the nerve and nerve-muscle junctions. The reversible inhibition of AChE was suggested as the pre-treatment option of the intoxications caused by nerve agents. Based on our derived 3D-QSAR model for the reversible AChE inhibitors, we designed and synthesized three novel compounds 8-10, joining the tacrine and aroylacrylic acid phenylamide moieties, with a longer methylene chain to target two distinct, toplogically separated anionic areas on the AChE. The targeted compounds exerted low nanomolar to subnanomolar potency toward the E. eel and human AChE's as well as the human BChE and showed mixed inhibition type in kinetic studies. All compounds were able to slow down the irreversible inhibition of the human AChE by several nerve agents including tabun, soman and VX, with the estimated protective indices around 5, indicating a valuable level of protection. Putative noncovalent interactions of the selected ligand 10 with AChE active site gorge were finally explored by molecular dynamics simulation suggesting a formation of the salt bridge between the protonated linker amino group and the negatively charged Asp74 carboxylate side chain as a significant player for the successful molecular recognition in line with the design strategy. The designed compounds may represent a new class of promising leads for the development of more effective pre-treatment options.",
publisher = "Elsevier",
journal = "Chemico-Biological Interactions",
title = "The in vitro protective effects of the three novel nanomolar reversible inhibitors of human cholinesterases against irreversible inhibition by organophosphorous chemical warfare agents",
volume = "309",
doi = "10.1016/j.cbi.2019.06.027"
}
Vitorović-Todorović, M., Worek, F., Perdih, A., Bauk, S. Đ., Vujatović, T. B.,& Cvijetić, I. (2019). The in vitro protective effects of the three novel nanomolar reversible inhibitors of human cholinesterases against irreversible inhibition by organophosphorous chemical warfare agents.
Chemico-Biological Interactions
Elsevier., 309.
https://doi.org/10.1016/j.cbi.2019.06.027
Vitorović-Todorović M, Worek F, Perdih A, Bauk SĐ, Vujatović TB, Cvijetić I. The in vitro protective effects of the three novel nanomolar reversible inhibitors of human cholinesterases against irreversible inhibition by organophosphorous chemical warfare agents. Chemico-Biological Interactions. 2019;309
Vitorović-Todorović Maja, Worek Franz, Perdih Andrej, Bauk Sonja Đ., Vujatović Tamara B., Cvijetić Ilija, "The in vitro protective effects of the three novel nanomolar reversible inhibitors of human cholinesterases against irreversible inhibition by organophosphorous chemical warfare agents" Chemico-Biological Interactions, 309 (2019),
https://doi.org/10.1016/j.cbi.2019.06.027 .
4
3
5

Supplementary material for the article: Vitorović-Todorović, M. D.; Worek, F.; Perdih, A.; Bauk, S. Đ.; Vujatović, T. B.; Cvijetić, I. N. The in Vitro Protective Effects of the Three Novel Nanomolar Reversible Inhibitors of Human Cholinesterases against Irreversible Inhibition by Organophosphorous Chemical Warfare Agents. Chemico-Biological Interactions 2019, 309. https://doi.org/10.1016/j.cbi.2019.06.027

Vitorović-Todorović, Maja; Worek, Franz; Perdih, Andrej; Bauk, Sonja Đ.; Vujatović, Tamara B.; Cvijetić, Ilija

(Elsevier, 2019)

TY  - BOOK
AU  - Vitorović-Todorović, Maja
AU  - Worek, Franz
AU  - Perdih, Andrej
AU  - Bauk, Sonja Đ.
AU  - Vujatović, Tamara B.
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3301
PB  - Elsevier
T2  - Chemico-Biological Interactions
T1  - Supplementary material for the article: Vitorović-Todorović, M. D.; Worek, F.; Perdih, A.; Bauk, S. Đ.; Vujatović, T. B.; Cvijetić, I. N. The in Vitro Protective Effects of the Three Novel Nanomolar Reversible Inhibitors of Human Cholinesterases against Irreversible Inhibition by Organophosphorous Chemical Warfare Agents. Chemico-Biological Interactions 2019, 309. https://doi.org/10.1016/j.cbi.2019.06.027
ER  - 
@book{
author = "Vitorović-Todorović, Maja and Worek, Franz and Perdih, Andrej and Bauk, Sonja Đ. and Vujatović, Tamara B. and Cvijetić, Ilija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3301",
publisher = "Elsevier",
journal = "Chemico-Biological Interactions",
title = "Supplementary material for the article: Vitorović-Todorović, M. D.; Worek, F.; Perdih, A.; Bauk, S. Đ.; Vujatović, T. B.; Cvijetić, I. N. The in Vitro Protective Effects of the Three Novel Nanomolar Reversible Inhibitors of Human Cholinesterases against Irreversible Inhibition by Organophosphorous Chemical Warfare Agents. Chemico-Biological Interactions 2019, 309. https://doi.org/10.1016/j.cbi.2019.06.027"
}
Vitorović-Todorović, M., Worek, F., Perdih, A., Bauk, S. Đ., Vujatović, T. B.,& Cvijetić, I. (2019). Supplementary material for the article: Vitorović-Todorović, M. D.; Worek, F.; Perdih, A.; Bauk, S. Đ.; Vujatović, T. B.; Cvijetić, I. N. The in Vitro Protective Effects of the Three Novel Nanomolar Reversible Inhibitors of Human Cholinesterases against Irreversible Inhibition by Organophosphorous Chemical Warfare Agents. Chemico-Biological Interactions 2019, 309. https://doi.org/10.1016/j.cbi.2019.06.027.
Chemico-Biological Interactions
Elsevier..
Vitorović-Todorović M, Worek F, Perdih A, Bauk SĐ, Vujatović TB, Cvijetić I. Supplementary material for the article: Vitorović-Todorović, M. D.; Worek, F.; Perdih, A.; Bauk, S. Đ.; Vujatović, T. B.; Cvijetić, I. N. The in Vitro Protective Effects of the Three Novel Nanomolar Reversible Inhibitors of Human Cholinesterases against Irreversible Inhibition by Organophosphorous Chemical Warfare Agents. Chemico-Biological Interactions 2019, 309. https://doi.org/10.1016/j.cbi.2019.06.027. Chemico-Biological Interactions. 2019;
Vitorović-Todorović Maja, Worek Franz, Perdih Andrej, Bauk Sonja Đ., Vujatović Tamara B., Cvijetić Ilija, "Supplementary material for the article: Vitorović-Todorović, M. D.; Worek, F.; Perdih, A.; Bauk, S. Đ.; Vujatović, T. B.; Cvijetić, I. N. The in Vitro Protective Effects of the Three Novel Nanomolar Reversible Inhibitors of Human Cholinesterases against Irreversible Inhibition by Organophosphorous Chemical Warfare Agents. Chemico-Biological Interactions 2019, 309. https://doi.org/10.1016/j.cbi.2019.06.027" Chemico-Biological Interactions (2019)

Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study

Assaleh, Mohamed H.; Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Milošević, Milena D.; Simić, Milena R.; Marinković, Aleksandar; Cvijetić, Ilija

(2019)

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3846
AB  - Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH∙). The appearance of thiolic –SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
VL  - 30
IS  - 6
SP  - 2447
EP  - 2457
DO  - 10.1007/s11224-019-01371-4
ER  - 
@article{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar and Cvijetić, Ilija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3846",
abstract = "Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH∙). The appearance of thiolic –SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
volume = "30",
number = "6",
pages = "2447-2457",
doi = "10.1007/s11224-019-01371-4"
}
Assaleh, M. H., Božić, A. R., Bjelogrlić, S. K., Milošević, M. D., Simić, M. R., Marinković, A.,& Cvijetić, I. (2019). Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study.
Structural Chemistry, 30(6), 2447-2457.
https://doi.org/10.1007/s11224-019-01371-4
Assaleh MH, Božić AR, Bjelogrlić SK, Milošević MD, Simić MR, Marinković A, Cvijetić I. Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. Structural Chemistry. 2019;30(6):2447-2457
Assaleh Mohamed H., Božić Aleksandra R., Bjelogrlić Snežana K., Milošević Milena D., Simić Milena R., Marinković Aleksandar, Cvijetić Ilija, "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study" Structural Chemistry, 30, no. 6 (2019):2447-2457,
https://doi.org/10.1007/s11224-019-01371-4 .
3
2
3

Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4

Assaleh, Mohamed H.; Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Milošević, Milena D.; Simić, Milena R.; Marinković, Aleksandar; Cvijetić, Ilija

(2019)

TY  - BOOK
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3848
T2  - Structural Chemistry
T1  - Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4
ER  - 
@book{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar and Cvijetić, Ilija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3848",
journal = "Structural Chemistry",
title = "Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4"
}
Assaleh, M. H., Božić, A. R., Bjelogrlić, S. K., Milošević, M. D., Simić, M. R., Marinković, A.,& Cvijetić, I. (2019). Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4.
Structural Chemistry.
Assaleh MH, Božić AR, Bjelogrlić SK, Milošević MD, Simić MR, Marinković A, Cvijetić I. Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4. Structural Chemistry. 2019;
Assaleh Mohamed H., Božić Aleksandra R., Bjelogrlić Snežana K., Milošević Milena D., Simić Milena R., Marinković Aleksandar, Cvijetić Ilija, "Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4" Structural Chemistry (2019)

A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells

Bjelogrlić, Snežana K.; Todorović, Tamara; Cvijetić, Ilija; Rodić, Marko; Vujčić, Miroslava; Marković, Sanja B.; Araškov, Jovana; Janović, Barbara; Emhemmed, Fatihi; Muller, Christian D.; Filipović, Nenad R.

(2019)

TY  - JOUR
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Marković, Sanja B.
AU  - Araškov, Jovana
AU  - Janović, Barbara
AU  - Emhemmed, Fatihi
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/355
AB  - A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 μM induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer. © 2018 Elsevier Inc.
T2  - Journal of Inorganic Biochemistry
T1  - A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells
VL  - 190
SP  - 45
EP  - 66
DO  - 10.1016/j.jinorgbio.2018.10.002
ER  - 
@article{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Rodić, Marko and Vujčić, Miroslava and Marković, Sanja B. and Araškov, Jovana and Janović, Barbara and Emhemmed, Fatihi and Muller, Christian D. and Filipović, Nenad R.",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/355",
abstract = "A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 μM induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer. © 2018 Elsevier Inc.",
journal = "Journal of Inorganic Biochemistry",
title = "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells",
volume = "190",
pages = "45-66",
doi = "10.1016/j.jinorgbio.2018.10.002"
}
Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Rodić, M., Vujčić, M., Marković, S. B., Araškov, J., Janović, B., Emhemmed, F., Muller, C. D.,& Filipović, N. R. (2019). A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells.
Journal of Inorganic Biochemistry, 190, 45-66.
https://doi.org/10.1016/j.jinorgbio.2018.10.002
Bjelogrlić SK, Todorović T, Cvijetić I, Rodić M, Vujčić M, Marković SB, Araškov J, Janović B, Emhemmed F, Muller CD, Filipović NR. A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. Journal of Inorganic Biochemistry. 2019;190:45-66
Bjelogrlić Snežana K., Todorović Tamara, Cvijetić Ilija, Rodić Marko, Vujčić Miroslava, Marković Sanja B., Araškov Jovana, Janović Barbara, Emhemmed Fatihi, Muller Christian D., Filipović Nenad R., "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells" Journal of Inorganic Biochemistry, 190 (2019):45-66,
https://doi.org/10.1016/j.jinorgbio.2018.10.002 .
1
2
3

Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base

Brkić, Dominik R.; Božić, Aleksandra R.; Marinković, Aleksandar; Milčić, Miloš K.; Prlainović, Nevena Z.; Assaleh, Fathi H.; Cvijetić, Ilija; Nikolić, Jasmina B.; Drmanić, Saga Z.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - JOUR
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Prlainović, Nevena Z.
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saga Z.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3196
AB  - The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base
VL  - 196
SP  - 16
EP  - 30
DO  - 10.1016/j.saa.2018.01.080
ER  - 
@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3196",
abstract = "The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base",
volume = "196",
pages = "16-30",
doi = "10.1016/j.saa.2018.01.080"
}
Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z. (2018). Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 196, 16-30.
https://doi.org/10.1016/j.saa.2018.01.080
Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;196:16-30
Brkić Dominik R., Božić Aleksandra R., Marinković Aleksandar, Milčić Miloš K., Prlainović Nevena Z., Assaleh Fathi H., Cvijetić Ilija, Nikolić Jasmina B., Drmanić Saga Z., "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 .
5
5
6

Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080

Brkić, Dominik R.; Božić, Aleksandra R.; Marinković, Aleksandar; Milčić, Miloš K.; Prlainović, Nevena Z.; Assaleh, Fathi H.; Cvijetić, Ilija; Nikolić, Jasmina B.; Drmanić, Saga Z.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - BOOK
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Prlainović, Nevena Z.
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saga Z.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3197
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080
ER  - 
@book{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3197",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080"
}
Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z. (2018). Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;
Brkić Dominik R., Božić Aleksandra R., Marinković Aleksandar, Milčić Miloš K., Prlainović Nevena Z., Assaleh Fathi H., Cvijetić Ilija, Nikolić Jasmina B., Drmanić Saga Z., "Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2018)

Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains

Cvijetić, Ilija; Verbić, Tatjana; de Resende, Pedro Ernesto; Stapleton, Paul; Gibbons, Simon; Juranić, Ivan O.; Drakulić, Branko J.; Zloh, Mire

(Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux, 2018)

TY  - JOUR
AU  - Cvijetić, Ilija
AU  - Verbić, Tatjana
AU  - de Resende, Pedro Ernesto
AU  - Stapleton, Paul
AU  - Gibbons, Simon
AU  - Juranić, Ivan O.
AU  - Drakulić, Branko J.
AU  - Zloh, Mire
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2075
AB  - Antimicrobial resistance (AMR) is a major health problem worldwide, because of ability of bacteria, fungi and viruses to evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational modifications of analogues by introduction of hydrophobic substituents on the aromatic ring has led to more than tenfold increase in antibacterial activity against multidrug resistant Gram positive strains. To elucidate a potential mechanism of action for this potentially novel class of antimicrobials, several bacterial enzymes were identified as putative targets according to literature data and pharmacophoric similarity searches for potent ADK analogues. Among the seven bacterial targets chosen, the strongest favorable binding interactions were observed between most active analogue and S. aureus dehydrosqualene synthase and DNA gyrase. Furthermore, the docking results in combination with literature data suggest that these novel molecules could also target several other bacterial enzymes, including prenyl-transferases and methionine aminopeptidase. These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents. (C) 2017 Elsevier Masson SAS. All rights reserved.
PB  - Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux
T2  - European Journal of Medicinal Chemistry
T1  - Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains
VL  - 143
SP  - 1474
EP  - 1488
DO  - 10.1016/j.ejmech.2017.10.045
ER  - 
@article{
author = "Cvijetić, Ilija and Verbić, Tatjana and de Resende, Pedro Ernesto and Stapleton, Paul and Gibbons, Simon and Juranić, Ivan O. and Drakulić, Branko J. and Zloh, Mire",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2075",
abstract = "Antimicrobial resistance (AMR) is a major health problem worldwide, because of ability of bacteria, fungi and viruses to evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational modifications of analogues by introduction of hydrophobic substituents on the aromatic ring has led to more than tenfold increase in antibacterial activity against multidrug resistant Gram positive strains. To elucidate a potential mechanism of action for this potentially novel class of antimicrobials, several bacterial enzymes were identified as putative targets according to literature data and pharmacophoric similarity searches for potent ADK analogues. Among the seven bacterial targets chosen, the strongest favorable binding interactions were observed between most active analogue and S. aureus dehydrosqualene synthase and DNA gyrase. Furthermore, the docking results in combination with literature data suggest that these novel molecules could also target several other bacterial enzymes, including prenyl-transferases and methionine aminopeptidase. These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents. (C) 2017 Elsevier Masson SAS. All rights reserved.",
publisher = "Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux",
journal = "European Journal of Medicinal Chemistry",
title = "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains",
volume = "143",
pages = "1474-1488",
doi = "10.1016/j.ejmech.2017.10.045"
}
Cvijetić, I., Verbić, T., de Resende, P. E., Stapleton, P., Gibbons, S., Juranić, I. O., Drakulić, B. J.,& Zloh, M. (2018). Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains.
European Journal of Medicinal Chemistry
Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux., 143, 1474-1488.
https://doi.org/10.1016/j.ejmech.2017.10.045
Cvijetić I, Verbić T, de Resende PE, Stapleton P, Gibbons S, Juranić IO, Drakulić BJ, Zloh M. Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains. European Journal of Medicinal Chemistry. 2018;143:1474-1488
Cvijetić Ilija, Verbić Tatjana, de Resende Pedro Ernesto, Stapleton Paul, Gibbons Simon, Juranić Ivan O., Drakulić Branko J., Zloh Mire, "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains" European Journal of Medicinal Chemistry, 143 (2018):1474-1488,
https://doi.org/10.1016/j.ejmech.2017.10.045 .
2
3
6
6

Human serum albumin binding of certain antimalarials

Marković, Olivera S.; Cvijetić, Ilija; Zlatović, Mario; Opsenica, Igor; Konstantinović, Jelena M.; Terzić-Jovanović, Nataša; Šolaja, Bogdan A.; Verbić, Tatjana

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - JOUR
AU  - Marković, Olivera S.
AU  - Cvijetić, Ilija
AU  - Zlatović, Mario
AU  - Opsenica, Igor
AU  - Konstantinović, Jelena M.
AU  - Terzić-Jovanović, Nataša
AU  - Šolaja, Bogdan A.
AU  - Verbić, Tatjana
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2085
AB  - Interactions between eight in-house synthesized aminoquinolines, along with well-known chloroquine, and human serum albumin (HSA) have been studied by fluorescence spectroscopy. The synthesized aminoquinolines, despite being structurally diverse, were found to be very potent antimalarials. Fluorescence measurements indicate that three compounds having additional thiophene or benzothiophene substructure bind more strongly to HSA than other studied compounds. Competitive binding experiments indicate that these three compounds bind significantly stronger to warfarin compared to diazepam binding site. Fluorescence quenching at three temperatures (20, 25, and 37 degrees C) was analyzed using classical Stern-Volmer equation, and a static quenching mechanism was proposed. The enthalpy and entropy changes upon sulphur-containing compound-HSA interactions were calculated using Van't Hoff equation. Positive values of enthalpy and entropy changes indicate that non-specific, hydrophobic interactions are the main contributors to HSA-compound interaction. Molecular docking and calculated lipophilicity descriptors indicate the same, pointing out that the increased lipophilicity of sulphur-containing compounds might be a reason for their better binding to HSA. Obtained results might contribute to design of novel derivatives with improved-pharmacokinetic properties and drug efficacy. (C) 2017 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Human serum albumin binding of certain antimalarials
VL  - 192
SP  - 128
EP  - 139
DO  - 10.1016/j.saa.2017.10.061
ER  - 
@article{
author = "Marković, Olivera S. and Cvijetić, Ilija and Zlatović, Mario and Opsenica, Igor and Konstantinović, Jelena M. and Terzić-Jovanović, Nataša and Šolaja, Bogdan A. and Verbić, Tatjana",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2085",
abstract = "Interactions between eight in-house synthesized aminoquinolines, along with well-known chloroquine, and human serum albumin (HSA) have been studied by fluorescence spectroscopy. The synthesized aminoquinolines, despite being structurally diverse, were found to be very potent antimalarials. Fluorescence measurements indicate that three compounds having additional thiophene or benzothiophene substructure bind more strongly to HSA than other studied compounds. Competitive binding experiments indicate that these three compounds bind significantly stronger to warfarin compared to diazepam binding site. Fluorescence quenching at three temperatures (20, 25, and 37 degrees C) was analyzed using classical Stern-Volmer equation, and a static quenching mechanism was proposed. The enthalpy and entropy changes upon sulphur-containing compound-HSA interactions were calculated using Van't Hoff equation. Positive values of enthalpy and entropy changes indicate that non-specific, hydrophobic interactions are the main contributors to HSA-compound interaction. Molecular docking and calculated lipophilicity descriptors indicate the same, pointing out that the increased lipophilicity of sulphur-containing compounds might be a reason for their better binding to HSA. Obtained results might contribute to design of novel derivatives with improved-pharmacokinetic properties and drug efficacy. (C) 2017 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Human serum albumin binding of certain antimalarials",
volume = "192",
pages = "128-139",
doi = "10.1016/j.saa.2017.10.061"
}
Marković, O. S., Cvijetić, I., Zlatović, M., Opsenica, I., Konstantinović, J. M., Terzić-Jovanović, N., Šolaja, B. A.,& Verbić, T. (2018). Human serum albumin binding of certain antimalarials.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 192, 128-139.
https://doi.org/10.1016/j.saa.2017.10.061
Marković OS, Cvijetić I, Zlatović M, Opsenica I, Konstantinović JM, Terzić-Jovanović N, Šolaja BA, Verbić T. Human serum albumin binding of certain antimalarials. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;192:128-139
Marković Olivera S., Cvijetić Ilija, Zlatović Mario, Opsenica Igor, Konstantinović Jelena M., Terzić-Jovanović Nataša, Šolaja Bogdan A., Verbić Tatjana, "Human serum albumin binding of certain antimalarials" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 192 (2018):128-139,
https://doi.org/10.1016/j.saa.2017.10.061 .
10
10
10

Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models

Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Novaković, Irena T.; Filipović, Nenad R.; Petrović, Predrag; Marinković, Aleksandar; Todorović, Tamara; Cvijetić, Ilija

(Wiley-V C H Verlag Gmbh, Weinheim, 2018)

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena T.
AU  - Filipović, Nenad R.
AU  - Petrović, Predrag
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2094
AB  - Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - CHEMISTRYSELECT
T1  - Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
VL  - 3
IS  - 7
SP  - 2215
EP  - 2221
DO  - 10.1002/slct.201702691
ER  - 
@article{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena T. and Filipović, Nenad R. and Petrović, Predrag and Marinković, Aleksandar and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2094",
abstract = "Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "CHEMISTRYSELECT",
title = "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models",
volume = "3",
number = "7",
pages = "2215-2221",
doi = "10.1002/slct.201702691"
}
Božić, A. R., Bjelogrlić, S. K., Novaković, I. T., Filipović, N. R., Petrović, P., Marinković, A., Todorović, T.,& Cvijetić, I. (2018). Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models.
CHEMISTRYSELECT
Wiley-V C H Verlag Gmbh, Weinheim., 3(7), 2215-2221.
https://doi.org/10.1002/slct.201702691
Božić AR, Bjelogrlić SK, Novaković IT, Filipović NR, Petrović P, Marinković A, Todorović T, Cvijetić I. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. CHEMISTRYSELECT. 2018;3(7):2215-2221
Božić Aleksandra R., Bjelogrlić Snežana K., Novaković Irena T., Filipović Nenad R., Petrović Predrag, Marinković Aleksandar, Todorović Tamara, Cvijetić Ilija, "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models" CHEMISTRYSELECT, 3, no. 7 (2018):2215-2221,
https://doi.org/10.1002/slct.201702691 .
1
5
4
6

Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations

Cvijetić, Ilija; Pešić, Milos P.; Todorov, Miljana D.; Drakulić, Branko J.; Juranić, Ivan O.; Verbić, Tatjana; Zloh, Mire

(Springer/Plenum Publishers, New York, 2018)

TY  - JOUR
AU  - Cvijetić, Ilija
AU  - Pešić, Milos P.
AU  - Todorov, Miljana D.
AU  - Drakulić, Branko J.
AU  - Juranić, Ivan O.
AU  - Verbić, Tatjana
AU  - Zloh, Mire
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2111
AB  - Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric form present in solution. The main aim of this study was to fully explore the tautomeric preferences of 4-phenyl-2,4-dioxobutanoic acid (4PDA), as ADKs representative, in aqueous media at different pH values. 1D and 2D NMR spectroscopy in combination with quantum chemical calculations was applied in order to better understand the tautomeric preferences of 4PDA. The data in highly acidic media are especially interesting since there are no such findings in the literature due to low solubility of ADKs in molecular form. At low pH values, where 4PDA is unionized, the most abundant tautomeric form is enol with keto group closer to phenyl ring. At higher pH values, mixture of two 4PDA ionic forms coexists in solution. Their ratio calculated according to NMR data fits the values predicted using two experimentally determined pK (a) values. Based on the complexity of H-1 NMR spectrum of monoanionic 4PDA form, coexistence of two stable rotamers was assumed. In an alkaline media, 4PDA is mostly present in dianionic form. As pi-electrons of dianion are delocalized over an entire keto-enol moiety, spectral distinction between tautomers was not possible. Quantum chemical calculations were used to predict relative stability of tautomers. The predictions were in good accordance with experimental results only in case when explicit water molecule was included in calculations.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
VL  - 29
IS  - 2
SP  - 423
EP  - 434
DO  - 10.1007/s11224-017-1039-3
ER  - 
@article{
author = "Cvijetić, Ilija and Pešić, Milos P. and Todorov, Miljana D. and Drakulić, Branko J. and Juranić, Ivan O. and Verbić, Tatjana and Zloh, Mire",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2111",
abstract = "Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric form present in solution. The main aim of this study was to fully explore the tautomeric preferences of 4-phenyl-2,4-dioxobutanoic acid (4PDA), as ADKs representative, in aqueous media at different pH values. 1D and 2D NMR spectroscopy in combination with quantum chemical calculations was applied in order to better understand the tautomeric preferences of 4PDA. The data in highly acidic media are especially interesting since there are no such findings in the literature due to low solubility of ADKs in molecular form. At low pH values, where 4PDA is unionized, the most abundant tautomeric form is enol with keto group closer to phenyl ring. At higher pH values, mixture of two 4PDA ionic forms coexists in solution. Their ratio calculated according to NMR data fits the values predicted using two experimentally determined pK (a) values. Based on the complexity of H-1 NMR spectrum of monoanionic 4PDA form, coexistence of two stable rotamers was assumed. In an alkaline media, 4PDA is mostly present in dianionic form. As pi-electrons of dianion are delocalized over an entire keto-enol moiety, spectral distinction between tautomers was not possible. Quantum chemical calculations were used to predict relative stability of tautomers. The predictions were in good accordance with experimental results only in case when explicit water molecule was included in calculations.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations",
volume = "29",
number = "2",
pages = "423-434",
doi = "10.1007/s11224-017-1039-3"
}
Cvijetić, I., Pešić, M. P., Todorov, M. D., Drakulić, B. J., Juranić, I. O., Verbić, T.,& Zloh, M. (2018). Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations.
Structural Chemistry
Springer/Plenum Publishers, New York., 29(2), 423-434.
https://doi.org/10.1007/s11224-017-1039-3
Cvijetić I, Pešić MP, Todorov MD, Drakulić BJ, Juranić IO, Verbić T, Zloh M. Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations. Structural Chemistry. 2018;29(2):423-434
Cvijetić Ilija, Pešić Milos P., Todorov Miljana D., Drakulić Branko J., Juranić Ivan O., Verbić Tatjana, Zloh Mire, "Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations" Structural Chemistry, 29, no. 2 (2018):423-434,
https://doi.org/10.1007/s11224-017-1039-3 .
2
2
2

Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base

Brkić, Dominik R.; Božić, Aleksandra R.; Marinković, Aleksandar; Milčić, Miloš K.; Prlainović, Nevena Z.; Assaleh, Fathi H.; Cvijetić, Ilija; Nikolić, Jasmina B.; Drmanić, Saga Z.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - JOUR
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Prlainović, Nevena Z.
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saga Z.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2121
AB  - The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base
VL  - 196
SP  - 16
EP  - 30
DO  - 10.1016/j.saa.2018.01.080
ER  - 
@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2121",
abstract = "The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base",
volume = "196",
pages = "16-30",
doi = "10.1016/j.saa.2018.01.080"
}
Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z. (2018). Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 196, 16-30.
https://doi.org/10.1016/j.saa.2018.01.080
Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;196:16-30
Brkić Dominik R., Božić Aleksandra R., Marinković Aleksandar, Milčić Miloš K., Prlainović Nevena Z., Assaleh Fathi H., Cvijetić Ilija, Nikolić Jasmina B., Drmanić Saga Z., "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 .
5
5
6

Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061

Marković, Olivera S.; Cvijetić, Ilija; Zlatović, Mario; Opsenica, Igor; Konstantinović, Jelena M.; Terzić-Jovanović, Nataša; Šolaja, Bogdan A.; Verbić, Tatjana

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - BOOK
AU  - Marković, Olivera S.
AU  - Cvijetić, Ilija
AU  - Zlatović, Mario
AU  - Opsenica, Igor
AU  - Konstantinović, Jelena M.
AU  - Terzić-Jovanović, Nataša
AU  - Šolaja, Bogdan A.
AU  - Verbić, Tatjana
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2913
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061
ER  - 
@book{
author = "Marković, Olivera S. and Cvijetić, Ilija and Zlatović, Mario and Opsenica, Igor and Konstantinović, Jelena M. and Terzić-Jovanović, Nataša and Šolaja, Bogdan A. and Verbić, Tatjana",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2913",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061"
}
Marković, O. S., Cvijetić, I., Zlatović, M., Opsenica, I., Konstantinović, J. M., Terzić-Jovanović, N., Šolaja, B. A.,& Verbić, T. (2018). Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
Marković OS, Cvijetić I, Zlatović M, Opsenica I, Konstantinović JM, Terzić-Jovanović N, Šolaja BA, Verbić T. Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;
Marković Olivera S., Cvijetić Ilija, Zlatović Mario, Opsenica Igor, Konstantinović Jelena M., Terzić-Jovanović Nataša, Šolaja Bogdan A., Verbić Tatjana, "Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2018)

Supplementary material for the article: Cvijetić, I. N.; Pešić, M. P.; Todorov, M. D.; Drakulić, B. J.; Juranić, I. O.; Verbić, T. Ž.; Zloh, M. Tautomerism of 4-Phenyl-2,4-Dioxobutanoic Acid. Insights from PH Ramping NMR Study and Quantum Chemical Calculations. Structural Chemistry 2018, 29 (2), 423–434. https://doi.org/10.1007/s11224-017-1039-3

Pešić, Milos P.; Todorov, Miljana D.; Drakulić, Branko J.; Juranić, Ivan O.; Verbić, Tatjana; Zloh, Mire; Cvijetić, Ilija

(Springer/Plenum Publishers, New York, 2018)

TY  - BOOK
AU  - Pešić, Milos P.
AU  - Todorov, Miljana D.
AU  - Drakulić, Branko J.
AU  - Juranić, Ivan O.
AU  - Verbić, Tatjana
AU  - Zloh, Mire
AU  - Cvijetić, Ilija
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3050
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Supplementary material for the article: Cvijetić, I. N.; Pešić, M. P.; Todorov, M. D.; Drakulić, B. J.; Juranić, I. O.; Verbić, T. Ž.; Zloh, M. Tautomerism of 4-Phenyl-2,4-Dioxobutanoic Acid. Insights from PH Ramping NMR Study and Quantum Chemical Calculations. Structural Chemistry 2018, 29 (2), 423–434. https://doi.org/10.1007/s11224-017-1039-3
ER  - 
@book{
author = "Pešić, Milos P. and Todorov, Miljana D. and Drakulić, Branko J. and Juranić, Ivan O. and Verbić, Tatjana and Zloh, Mire and Cvijetić, Ilija",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3050",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Supplementary material for the article: Cvijetić, I. N.; Pešić, M. P.; Todorov, M. D.; Drakulić, B. J.; Juranić, I. O.; Verbić, T. Ž.; Zloh, M. Tautomerism of 4-Phenyl-2,4-Dioxobutanoic Acid. Insights from PH Ramping NMR Study and Quantum Chemical Calculations. Structural Chemistry 2018, 29 (2), 423–434. https://doi.org/10.1007/s11224-017-1039-3"
}
Pešić, M. P., Todorov, M. D., Drakulić, B. J., Juranić, I. O., Verbić, T., Zloh, M.,& Cvijetić, I. (2018). Supplementary material for the article: Cvijetić, I. N.; Pešić, M. P.; Todorov, M. D.; Drakulić, B. J.; Juranić, I. O.; Verbić, T. Ž.; Zloh, M. Tautomerism of 4-Phenyl-2,4-Dioxobutanoic Acid. Insights from PH Ramping NMR Study and Quantum Chemical Calculations. Structural Chemistry 2018, 29 (2), 423–434. https://doi.org/10.1007/s11224-017-1039-3.
Structural Chemistry
Springer/Plenum Publishers, New York..
Pešić MP, Todorov MD, Drakulić BJ, Juranić IO, Verbić T, Zloh M, Cvijetić I. Supplementary material for the article: Cvijetić, I. N.; Pešić, M. P.; Todorov, M. D.; Drakulić, B. J.; Juranić, I. O.; Verbić, T. Ž.; Zloh, M. Tautomerism of 4-Phenyl-2,4-Dioxobutanoic Acid. Insights from PH Ramping NMR Study and Quantum Chemical Calculations. Structural Chemistry 2018, 29 (2), 423–434. https://doi.org/10.1007/s11224-017-1039-3. Structural Chemistry. 2018;
Pešić Milos P., Todorov Miljana D., Drakulić Branko J., Juranić Ivan O., Verbić Tatjana, Zloh Mire, Cvijetić Ilija, "Supplementary material for the article: Cvijetić, I. N.; Pešić, M. P.; Todorov, M. D.; Drakulić, B. J.; Juranić, I. O.; Verbić, T. Ž.; Zloh, M. Tautomerism of 4-Phenyl-2,4-Dioxobutanoic Acid. Insights from PH Ramping NMR Study and Quantum Chemical Calculations. Structural Chemistry 2018, 29 (2), 423–434. https://doi.org/10.1007/s11224-017-1039-3" Structural Chemistry (2018)

Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691

Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Novaković, Irena T.; Filipović, Nenad R.; Petrović, Predrag; Marinković, Aleksandar; Todorović, Tamara; Cvijetić, Ilija

(Wiley-V C H Verlag Gmbh, Weinheim, 2018)

TY  - BOOK
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena T.
AU  - Filipović, Nenad R.
AU  - Petrović, Predrag
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3103
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - CHEMISTRYSELECT
T1  - Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691
ER  - 
@book{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena T. and Filipović, Nenad R. and Petrović, Predrag and Marinković, Aleksandar and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3103",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "CHEMISTRYSELECT",
title = "Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691"
}
Božić, A. R., Bjelogrlić, S. K., Novaković, I. T., Filipović, N. R., Petrović, P., Marinković, A., Todorović, T.,& Cvijetić, I. (2018). Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691.
CHEMISTRYSELECT
Wiley-V C H Verlag Gmbh, Weinheim..
Božić AR, Bjelogrlić SK, Novaković IT, Filipović NR, Petrović P, Marinković A, Todorović T, Cvijetić I. Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691. CHEMISTRYSELECT. 2018;
Božić Aleksandra R., Bjelogrlić Snežana K., Novaković Irena T., Filipović Nenad R., Petrović Predrag, Marinković Aleksandar, Todorović Tamara, Cvijetić Ilija, "Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691" CHEMISTRYSELECT (2018)