TY  - JOUR
AU  - Kojić, Andrea
AU  - Kržanović, Nikola
AU  - Živanović, Miloš
AU  - Toroi, Paula
AU  - Bakrač, Luka
AU  - Božović, Predrag
AU  - Stanković Petrović, Jelena
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13192
AB  - Quality control and assurance of mammography X-ray generators include usage of solid-state detectors and/or ionization chambers which are calibrated in standard reference radiation fields. IEC 61267:2005 standard defines reference mammography radiation fields for Mo/Mo anode/filtration, while various anode/filtration combinations are encountered in clinical mammography X-ray units. Not all Secondary Standard Dosimetry Laboratories have an X-ray generator with Mo/Mo radiation setup, thus traceability can be established only for the available anode/filter combinations which is commonly limited to W/Al. In this study, W/Al radiation fields were established under laboratory conditions by performing half-value layer measurements, and characterization of four solid-state detectors was performed. X-ray multimeter performance was evaluated in terms of energy response in the W/Al radiation fields. In the laboratory conditions the energy response of the dosimeters had larger deviation from unity for dosimeters without appropriate anode/filter combination selected in the software settings, even though most of the dosimeters had uniform relative response. Discrepancy in the response was further investigated by examining its variation induced by available detector software settings, and it was determined that the dosimeter response can vary up to 20 %. In clinical setup, half-value layer was determined, and detector performance was examined. Dosimeters were tested in clinical fields with Mo/Mo, Mo/Rh, W/Rh, W/Ag anode/filter combinations in the X-ray tube voltage range from 25 kV to 35 kV. For most clinical radiation fields, multi-element detectors had energy response deviation within ±5 %. The single-element detector had one software setting available and has exhibited strong energy dependence. Extensive testing of detector response such as presented in this paper allows for correction factor interpolation based on half-value layer.
T2  - Radiation Measurements
T1  - Influence of anode/filtration setup on X-ray multimeter energy response in mammography applications
IS  - InPress
SP  - 107135
DO  - 10.1016/j.radmeas.2024.107135
ER  - 

@article{
author = "Kojić, Andrea and Kržanović, Nikola and Živanović, Miloš and Toroi, Paula and Bakrač, Luka and Božović, Predrag and Stanković Petrović, Jelena",
year = "2024",
abstract = "Quality control and assurance of mammography X-ray generators include usage of solid-state detectors and/or ionization chambers which are calibrated in standard reference radiation fields. IEC 61267:2005 standard defines reference mammography radiation fields for Mo/Mo anode/filtration, while various anode/filtration combinations are encountered in clinical mammography X-ray units. Not all Secondary Standard Dosimetry Laboratories have an X-ray generator with Mo/Mo radiation setup, thus traceability can be established only for the available anode/filter combinations which is commonly limited to W/Al. In this study, W/Al radiation fields were established under laboratory conditions by performing half-value layer measurements, and characterization of four solid-state detectors was performed. X-ray multimeter performance was evaluated in terms of energy response in the W/Al radiation fields. In the laboratory conditions the energy response of the dosimeters had larger deviation from unity for dosimeters without appropriate anode/filter combination selected in the software settings, even though most of the dosimeters had uniform relative response. Discrepancy in the response was further investigated by examining its variation induced by available detector software settings, and it was determined that the dosimeter response can vary up to 20 %. In clinical setup, half-value layer was determined, and detector performance was examined. Dosimeters were tested in clinical fields with Mo/Mo, Mo/Rh, W/Rh, W/Ag anode/filter combinations in the X-ray tube voltage range from 25 kV to 35 kV. For most clinical radiation fields, multi-element detectors had energy response deviation within ±5 %. The single-element detector had one software setting available and has exhibited strong energy dependence. Extensive testing of detector response such as presented in this paper allows for correction factor interpolation based on half-value layer.",
journal = "Radiation Measurements",
title = "Influence of anode/filtration setup on X-ray multimeter energy response in mammography applications",
number = "InPress",
pages = "107135",
doi = "10.1016/j.radmeas.2024.107135"
}

Kojić, A., Kržanović, N., Živanović, M., Toroi, P., Bakrač, L., Božović, P.,& Stanković Petrović, J.. (2024). Influence of anode/filtration setup on X-ray multimeter energy response in mammography applications. in Radiation Measurements(InPress), 107135.
https://doi.org/10.1016/j.radmeas.2024.107135

Kojić A, Kržanović N, Živanović M, Toroi P, Bakrač L, Božović P, Stanković Petrović J. Influence of anode/filtration setup on X-ray multimeter energy response in mammography applications. in Radiation Measurements. 2024;(InPress):107135.
doi:10.1016/j.radmeas.2024.107135 .

Kojić, Andrea, Kržanović, Nikola, Živanović, Miloš, Toroi, Paula, Bakrač, Luka, Božović, Predrag, Stanković Petrović, Jelena, "Influence of anode/filtration setup on X-ray multimeter energy response in mammography applications" in Radiation Measurements, no. InPress (2024):107135,
https://doi.org/10.1016/j.radmeas.2024.107135 . .

TY  - JOUR
AU  - Prekodravac, Jovana
AU  - Vasiljević, Bojana R.
AU  - Žakula, Jelena
AU  - Popović, Maja
AU  - Pavlović, Vladimir
AU  - Ciasca, Gabriele
AU  - Romanò, Sabrina
AU  - Todorović Marković, Biljana
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12446
AB  - Carbon quantum dots (CQDs) have exceptional physical-chemical properties that make them suitable for a wide range of uses, such as the photocatalytic removal of organic contaminants from water. Here, we provide a one-step, ecologically friendly, and economical method for creating iron/nitrogen co-doped (Fe/N-CQD) and nitrogen-doped (N-CQD) quantum dot nanomaterials. The characteristics of the developed nanomaterials were investigated with regard to how surface chemistry impacts their capacity for adsorption and photoactivity in a case study of a specific water pollutant reduction. The influence of the two irradiation sources-operating in the UV and visible ranges-on the photoactivity of materials was highlighted. Finally, their eco-friendliness was examined on four different human tumor cell lines.
T2  - Optical Materials
T1  - Carbon quantum dots surface chemistry: Evaluation of Photo and Cytotoxic activity
VL  - 147
SP  - 114629
DO  - 10.1016/j.optmat.2023.114629
ER  - 

@article{
author = "Prekodravac, Jovana and Vasiljević, Bojana R. and Žakula, Jelena and Popović, Maja and Pavlović, Vladimir and Ciasca, Gabriele and Romanò, Sabrina and Todorović Marković, Biljana",
year = "2024",
abstract = "Carbon quantum dots (CQDs) have exceptional physical-chemical properties that make them suitable for a wide range of uses, such as the photocatalytic removal of organic contaminants from water. Here, we provide a one-step, ecologically friendly, and economical method for creating iron/nitrogen co-doped (Fe/N-CQD) and nitrogen-doped (N-CQD) quantum dot nanomaterials. The characteristics of the developed nanomaterials were investigated with regard to how surface chemistry impacts their capacity for adsorption and photoactivity in a case study of a specific water pollutant reduction. The influence of the two irradiation sources-operating in the UV and visible ranges-on the photoactivity of materials was highlighted. Finally, their eco-friendliness was examined on four different human tumor cell lines.",
journal = "Optical Materials",
title = "Carbon quantum dots surface chemistry: Evaluation of Photo and Cytotoxic activity",
volume = "147",
pages = "114629",
doi = "10.1016/j.optmat.2023.114629"
}

Prekodravac, J., Vasiljević, B. R., Žakula, J., Popović, M., Pavlović, V., Ciasca, G., Romanò, S.,& Todorović Marković, B.. (2024). Carbon quantum dots surface chemistry: Evaluation of Photo and Cytotoxic activity. in Optical Materials, 147, 114629.
https://doi.org/10.1016/j.optmat.2023.114629

Prekodravac J, Vasiljević BR, Žakula J, Popović M, Pavlović V, Ciasca G, Romanò S, Todorović Marković B. Carbon quantum dots surface chemistry: Evaluation of Photo and Cytotoxic activity. in Optical Materials. 2024;147:114629.
doi:10.1016/j.optmat.2023.114629 .

Prekodravac, Jovana, Vasiljević, Bojana R., Žakula, Jelena, Popović, Maja, Pavlović, Vladimir, Ciasca, Gabriele, Romanò, Sabrina, Todorović Marković, Biljana, "Carbon quantum dots surface chemistry: Evaluation of Photo and Cytotoxic activity" in Optical Materials, 147 (2024):114629,
https://doi.org/10.1016/j.optmat.2023.114629 . .

TY  - JOUR
AU  - Srivastava, Alok M.
AU  - Brik, Mikhail G.
AU  - Ma, Chong-Geng
AU  - Beers, William W.
AU  - Cohen, William E.
AU  - Piasecki, Michal
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13190
AB  - The spectroscopic properties of the Mn4+ ion are investigated in the series of isostructural double perovskite compounds, Ba2BTaO6 (B = Y, Lu, Sc). A comparison of these properties highlights the influence of covalent bonding within the perovskite framework and the degree of order between the B3+–Ta cations on the energy and intensity of the Mn4+2E → 4A2 emission transition (R-line). These two parameters of the emission spectrum are of importance for practical application since they determine the phosphor luminous efficacy. The influence of covalent bonding within the corner shared BO6/2 and TaO6/2 perovskite framework on the energy of the R-line energy is investigated. From the spectroscopic data, we have derived information on the influence of the degree of order between the B3+ and Ta5+ cations on the intensity of the R-line. The lowest energy and the highest intensity of the R-line are found in the double perovskite, Ba2ScTaO6. The purpose of this work is to propose for first time an explanation of these effects in the considered double perovskites. The obtained results are useful guidelines for practical improvement and tuning of key parameters of phosphors to the desired values.
T2  - The Journal of Physical Chemistry Letters
T1  - Effect of Covalence and Degree of Cation Order on the Luminous Efficacy of Mn4+ Luminescence in the Double Perovskites, Ba2BTaO6 (B = Y, Lu, Sc)
VL  - 15
SP  - 4175
EP  - 4184
DO  - 10.1021/acs.jpclett.4c00205
ER  - 

@article{
author = "Srivastava, Alok M. and Brik, Mikhail G. and Ma, Chong-Geng and Beers, William W. and Cohen, William E. and Piasecki, Michal",
year = "2024",
abstract = "The spectroscopic properties of the Mn4+ ion are investigated in the series of isostructural double perovskite compounds, Ba2BTaO6 (B = Y, Lu, Sc). A comparison of these properties highlights the influence of covalent bonding within the perovskite framework and the degree of order between the B3+–Ta cations on the energy and intensity of the Mn4+2E → 4A2 emission transition (R-line). These two parameters of the emission spectrum are of importance for practical application since they determine the phosphor luminous efficacy. The influence of covalent bonding within the corner shared BO6/2 and TaO6/2 perovskite framework on the energy of the R-line energy is investigated. From the spectroscopic data, we have derived information on the influence of the degree of order between the B3+ and Ta5+ cations on the intensity of the R-line. The lowest energy and the highest intensity of the R-line are found in the double perovskite, Ba2ScTaO6. The purpose of this work is to propose for first time an explanation of these effects in the considered double perovskites. The obtained results are useful guidelines for practical improvement and tuning of key parameters of phosphors to the desired values.",
journal = "The Journal of Physical Chemistry Letters",
title = "Effect of Covalence and Degree of Cation Order on the Luminous Efficacy of Mn4+ Luminescence in the Double Perovskites, Ba2BTaO6 (B = Y, Lu, Sc)",
volume = "15",
pages = "4175-4184",
doi = "10.1021/acs.jpclett.4c00205"
}

Srivastava, A. M., Brik, M. G., Ma, C., Beers, W. W., Cohen, W. E.,& Piasecki, M.. (2024). Effect of Covalence and Degree of Cation Order on the Luminous Efficacy of Mn4+ Luminescence in the Double Perovskites, Ba2BTaO6 (B = Y, Lu, Sc). in The Journal of Physical Chemistry Letters, 15, 4175-4184.
https://doi.org/10.1021/acs.jpclett.4c00205

Srivastava AM, Brik MG, Ma C, Beers WW, Cohen WE, Piasecki M. Effect of Covalence and Degree of Cation Order on the Luminous Efficacy of Mn4+ Luminescence in the Double Perovskites, Ba2BTaO6 (B = Y, Lu, Sc). in The Journal of Physical Chemistry Letters. 2024;15:4175-4184.
doi:10.1021/acs.jpclett.4c00205 .

Srivastava, Alok M., Brik, Mikhail G., Ma, Chong-Geng, Beers, William W., Cohen, William E., Piasecki, Michal, "Effect of Covalence and Degree of Cation Order on the Luminous Efficacy of Mn4+ Luminescence in the Double Perovskites, Ba2BTaO6 (B = Y, Lu, Sc)" in The Journal of Physical Chemistry Letters, 15 (2024):4175-4184,
https://doi.org/10.1021/acs.jpclett.4c00205 . .

TY  - JOUR
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Ratković, Zoran
AU  - Blagojević, Stefan
AU  - Matić, Sanja Lj.
AU  - Muškinja, Jovana
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13183
AB  - Two series of new ferrocenyl pyrazolines have been synthesized by the reac-tion of ferrocenyl chalcones and their analogues with hydrazine hydrate in thepresence of corresponding carboxylic acid. Single-crystal X-ray crystallographicdata were used for detailed analysis of the interesting versatility of four com-pounds in the formation of intermolecular interactions. The analysis revealedan excellent structural flexibility of the present ferrocenyl pyrazoline moleculesfor the non-covalent interactions, with a particular contribution of the ferro-cene units. In addition, for comparison with crystallographic findings, weinvestigated the protective effect of all compounds on DNA against hydroxyland peroxyl radicals induced by Fe2+,H2O2, and 2,20-azobis(2-amidinopro-pane) dihydrochloride (AAPH). The results indicated that all compoundsshowed rather similar DNA protective activity, which was comparable withquercetin as a well-known protective compound. This similarity in antigeno-toxic action could be explained by the established excellent structural flexibil-ity of ferrocenyl pyrazolines for the formation of different intermolecularinteractions as important structural property for molecular recognition.
T2  - Applied Organometallic Chemistry
T1  - Synthesis, structural properties and DNA protective activity of ferrocenyl N-acyl pyrazolines
DO  - 10.1002/aoc.7464
ER  - 

@article{
author = "Novaković, Slađana B. and Bogdanović, Goran A. and Ratković, Zoran and Blagojević, Stefan and Matić, Sanja Lj. and Muškinja, Jovana",
year = "2024",
abstract = "Two series of new ferrocenyl pyrazolines have been synthesized by the reac-tion of ferrocenyl chalcones and their analogues with hydrazine hydrate in thepresence of corresponding carboxylic acid. Single-crystal X-ray crystallographicdata were used for detailed analysis of the interesting versatility of four com-pounds in the formation of intermolecular interactions. The analysis revealedan excellent structural flexibility of the present ferrocenyl pyrazoline moleculesfor the non-covalent interactions, with a particular contribution of the ferro-cene units. In addition, for comparison with crystallographic findings, weinvestigated the protective effect of all compounds on DNA against hydroxyland peroxyl radicals induced by Fe2+,H2O2, and 2,20-azobis(2-amidinopro-pane) dihydrochloride (AAPH). The results indicated that all compoundsshowed rather similar DNA protective activity, which was comparable withquercetin as a well-known protective compound. This similarity in antigeno-toxic action could be explained by the established excellent structural flexibil-ity of ferrocenyl pyrazolines for the formation of different intermolecularinteractions as important structural property for molecular recognition.",
journal = "Applied Organometallic Chemistry",
title = "Synthesis, structural properties and DNA protective activity of ferrocenyl N-acyl pyrazolines",
doi = "10.1002/aoc.7464"
}

Novaković, S. B., Bogdanović, G. A., Ratković, Z., Blagojević, S., Matić, S. Lj.,& Muškinja, J.. (2024). Synthesis, structural properties and DNA protective activity of ferrocenyl N-acyl pyrazolines. in Applied Organometallic Chemistry.
https://doi.org/10.1002/aoc.7464

Novaković SB, Bogdanović GA, Ratković Z, Blagojević S, Matić SL, Muškinja J. Synthesis, structural properties and DNA protective activity of ferrocenyl N-acyl pyrazolines. in Applied Organometallic Chemistry. 2024;.
doi:10.1002/aoc.7464 .

Novaković, Slađana B., Bogdanović, Goran A., Ratković, Zoran, Blagojević, Stefan, Matić, Sanja Lj., Muškinja, Jovana, "Synthesis, structural properties and DNA protective activity of ferrocenyl N-acyl pyrazolines" in Applied Organometallic Chemistry (2024),
https://doi.org/10.1002/aoc.7464 . .

TY  - CONF
AU  - Jovanović, Svetlana
AU  - Kepić, Dejan
AU  - Huskić, Miroslav
AU  - Yasir, Muhammad
AU  - Haddadi, Kamel
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13188
AB  - In the era of intensive development of microelectronics, energy, and car industries along with Radio-Frequency (RF) telecommunications, the pollution caused by Electromagnetic Waves (EWs) is ever-present. EW interferences (Electromagnetic Interference-EMI) exhibit perturbation and negative impact on devices and systems including those used in everyday life as well as on the specialized, sensitive, and sophisticated instruments used in research laboratories. EMI could cause untrusted signals and RF noise. To prevent these issues, materials able to block or absorb the radiated EWs are urgently required. The GrInShield project is focused on developing new graphene-based shielding nano-materials and increasing researchers' expertise in EMI shielding measuring, protective materials, and possibilities to bring these new products to the market. INTRODUCTION: The GrInShield project uses graphene oxide (GO) obtained by Hummers' reaction and electrochemical exfoliation of graphite [1,2]. We have analysed the factors that affect the shielding efficiency of materials [3] and studied the reaction conditions that lead to obtaining graphene with different sizes and oxygen content [4]. RESULTS AND DISCUSSION: The GrInShield project aims to produce composites of GO with silver nanowires (AgNWs) to develop GO-AgNW composites for EMI shielding applications. To achieve these goals, the project gathers experts from the chemistry of nanomaterials, and polymer processing, along with specialists for near-field microscopy tools and radiofrequency (RF) characterization of materials. CONCLUSIONS: The GrInShield project is developing new nanomaterials for EMI shielding based on carbon nanomaterials, metallic nanomaterials, and polymers. The fabrication of low-cost, sustainable, eco-friendly, durable EMI shielding material should be achieved.
PB  - Belgrade : Association of Chemical Engineers of Serbia
C3  - Hemijska Industrija
T1  - Twinning for graphene-based composites in EMI shielding
VL  - 78
IS  - 1S
SP  - 79
UR  - https://hdl.handle.net/21.15107/rcub_vinar_13188
ER  - 

@conference{
author = "Jovanović, Svetlana and Kepić, Dejan and Huskić, Miroslav and Yasir, Muhammad and Haddadi, Kamel",
year = "2024",
abstract = "In the era of intensive development of microelectronics, energy, and car industries along with Radio-Frequency (RF) telecommunications, the pollution caused by Electromagnetic Waves (EWs) is ever-present. EW interferences (Electromagnetic Interference-EMI) exhibit perturbation and negative impact on devices and systems including those used in everyday life as well as on the specialized, sensitive, and sophisticated instruments used in research laboratories. EMI could cause untrusted signals and RF noise. To prevent these issues, materials able to block or absorb the radiated EWs are urgently required. The GrInShield project is focused on developing new graphene-based shielding nano-materials and increasing researchers' expertise in EMI shielding measuring, protective materials, and possibilities to bring these new products to the market. INTRODUCTION: The GrInShield project uses graphene oxide (GO) obtained by Hummers' reaction and electrochemical exfoliation of graphite [1,2]. We have analysed the factors that affect the shielding efficiency of materials [3] and studied the reaction conditions that lead to obtaining graphene with different sizes and oxygen content [4]. RESULTS AND DISCUSSION: The GrInShield project aims to produce composites of GO with silver nanowires (AgNWs) to develop GO-AgNW composites for EMI shielding applications. To achieve these goals, the project gathers experts from the chemistry of nanomaterials, and polymer processing, along with specialists for near-field microscopy tools and radiofrequency (RF) characterization of materials. CONCLUSIONS: The GrInShield project is developing new nanomaterials for EMI shielding based on carbon nanomaterials, metallic nanomaterials, and polymers. The fabrication of low-cost, sustainable, eco-friendly, durable EMI shielding material should be achieved.",
publisher = "Belgrade : Association of Chemical Engineers of Serbia",
journal = "Hemijska Industrija",
title = "Twinning for graphene-based composites in EMI shielding",
volume = "78",
number = "1S",
pages = "79",
url = "https://hdl.handle.net/21.15107/rcub_vinar_13188"
}

Jovanović, S., Kepić, D., Huskić, M., Yasir, M.,& Haddadi, K.. (2024). Twinning for graphene-based composites in EMI shielding. in Hemijska Industrija
Belgrade : Association of Chemical Engineers of Serbia., 78(1S), 79.
https://hdl.handle.net/21.15107/rcub_vinar_13188

Jovanović S, Kepić D, Huskić M, Yasir M, Haddadi K. Twinning for graphene-based composites in EMI shielding. in Hemijska Industrija. 2024;78(1S):79.
https://hdl.handle.net/21.15107/rcub_vinar_13188 .

Jovanović, Svetlana, Kepić, Dejan, Huskić, Miroslav, Yasir, Muhammad, Haddadi, Kamel, "Twinning for graphene-based composites in EMI shielding" in Hemijska Industrija, 78, no. 1S (2024):79,
https://hdl.handle.net/21.15107/rcub_vinar_13188 .

TY  - JOUR
AU  - Vasiljevic, Zorka
AU  - Vunduk, Jovana
AU  - Bartolić, Dragana
AU  - Mišković, Goran
AU  - Ognjanović, Miloš
AU  - Tadić, Nenad B.
AU  - Nikolić, Maria Vesna
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13189
AB  - Emission of greenhouse gases and infectious diseases caused by improper agro-waste disposal has gained significant attention in recent years. To overcome these hurdles, agro-waste can be valorized into valuable bioactive compounds that act as reducing or stabilizing agents in the synthesis of nanomaterials. Herein, we report a simple circular approach using Citrus reticulata Blanco (C. reticulata) waste (peel powder/aqueous extract) as green reducing and capping/stabilizing agents and Zn nitrate/acetate precursors to synthesize ZnO nanoparticles (NPs) with efficient antimicrobial and photocatalytic activities. The obtained NPs crystallized in a hexagonal wurtzite structure and differed clearly in their morphology. UV-vis analysis of the nanoparticles showed a characteristic broad absorption band between 330 and 414 nm belonging to ZnO NPs. Fourier transform infrared (FTIR) spectroscopy of ZnO NPs exhibited a Zn-O band close to 450 cm-1. The band gap values were in the range of 2.84-3.14 eV depending on the precursor and agent used. The crystallite size obtained from size-strain plots from measured XRD patterns was between 7 and 26 nm, with strain between 16 and 4%. The highly crystalline nature of obtained ZnO NPs was confirmed by clear ring diffraction patterns and d-spacing values of the observed lattice fringes. ZnNPeelMan_400 and ZnNExtrMan showed good stability, as the zeta potential was found to be around −20 mV, and reduced particle aggregation. Photoluminescence analysis revealed different defects belonging to oxygen vacancies (VO+ and VO+2) and zinc interstitial (Zni) sites. The presence of oxygen vacancies on the surface of ZnAcExtrMan_400 and ZnAcPeelMan_400 increased antimicrobial activity, specifically against Gram-negative bacteria Escherichia coli (E. coli) and Salmonella enteritidis (S. enteritidis). ZnNExtrMan with a minimal inhibitory concentration of 0.156 mg/mL was more effective against Gram-positive bacteria Staphylococcus aureus (S. aureus), revealing a high influence of particle size and shape on antimicrobial activity. In addition, the photocatalytic activity of the ZnO NPs was examined by assessing the degradation of acid green dye in an aqueous solution under UV light irradiation. ZnAcPeelMan_400 exhibited excellent photocatalytic activity (94%) within 90 min after irradiation compared to other obtained ZnO NPs.
T2  - ACS Applied Bio Materials
T1  - An Eco-friendly Approach to ZnO NP Synthesis Using Citrus reticulata Blanco Peel/Extract: Characterization and Antibacterial and Photocatalytic Activity
DO  - 10.1021/acsabm.4c00079
ER  - 

@article{
author = "Vasiljevic, Zorka and Vunduk, Jovana and Bartolić, Dragana and Mišković, Goran and Ognjanović, Miloš and Tadić, Nenad B. and Nikolić, Maria Vesna",
year = "2024",
abstract = "Emission of greenhouse gases and infectious diseases caused by improper agro-waste disposal has gained significant attention in recent years. To overcome these hurdles, agro-waste can be valorized into valuable bioactive compounds that act as reducing or stabilizing agents in the synthesis of nanomaterials. Herein, we report a simple circular approach using Citrus reticulata Blanco (C. reticulata) waste (peel powder/aqueous extract) as green reducing and capping/stabilizing agents and Zn nitrate/acetate precursors to synthesize ZnO nanoparticles (NPs) with efficient antimicrobial and photocatalytic activities. The obtained NPs crystallized in a hexagonal wurtzite structure and differed clearly in their morphology. UV-vis analysis of the nanoparticles showed a characteristic broad absorption band between 330 and 414 nm belonging to ZnO NPs. Fourier transform infrared (FTIR) spectroscopy of ZnO NPs exhibited a Zn-O band close to 450 cm-1. The band gap values were in the range of 2.84-3.14 eV depending on the precursor and agent used. The crystallite size obtained from size-strain plots from measured XRD patterns was between 7 and 26 nm, with strain between 16 and 4%. The highly crystalline nature of obtained ZnO NPs was confirmed by clear ring diffraction patterns and d-spacing values of the observed lattice fringes. ZnNPeelMan_400 and ZnNExtrMan showed good stability, as the zeta potential was found to be around −20 mV, and reduced particle aggregation. Photoluminescence analysis revealed different defects belonging to oxygen vacancies (VO+ and VO+2) and zinc interstitial (Zni) sites. The presence of oxygen vacancies on the surface of ZnAcExtrMan_400 and ZnAcPeelMan_400 increased antimicrobial activity, specifically against Gram-negative bacteria Escherichia coli (E. coli) and Salmonella enteritidis (S. enteritidis). ZnNExtrMan with a minimal inhibitory concentration of 0.156 mg/mL was more effective against Gram-positive bacteria Staphylococcus aureus (S. aureus), revealing a high influence of particle size and shape on antimicrobial activity. In addition, the photocatalytic activity of the ZnO NPs was examined by assessing the degradation of acid green dye in an aqueous solution under UV light irradiation. ZnAcPeelMan_400 exhibited excellent photocatalytic activity (94%) within 90 min after irradiation compared to other obtained ZnO NPs.",
journal = "ACS Applied Bio Materials",
title = "An Eco-friendly Approach to ZnO NP Synthesis Using Citrus reticulata Blanco Peel/Extract: Characterization and Antibacterial and Photocatalytic Activity",
doi = "10.1021/acsabm.4c00079"
}

Vasiljevic, Z., Vunduk, J., Bartolić, D., Mišković, G., Ognjanović, M., Tadić, N. B.,& Nikolić, M. V.. (2024). An Eco-friendly Approach to ZnO NP Synthesis Using Citrus reticulata Blanco Peel/Extract: Characterization and Antibacterial and Photocatalytic Activity. in ACS Applied Bio Materials.
https://doi.org/10.1021/acsabm.4c00079

Vasiljevic Z, Vunduk J, Bartolić D, Mišković G, Ognjanović M, Tadić NB, Nikolić MV. An Eco-friendly Approach to ZnO NP Synthesis Using Citrus reticulata Blanco Peel/Extract: Characterization and Antibacterial and Photocatalytic Activity. in ACS Applied Bio Materials. 2024;.
doi:10.1021/acsabm.4c00079 .

Vasiljevic, Zorka, Vunduk, Jovana, Bartolić, Dragana, Mišković, Goran, Ognjanović, Miloš, Tadić, Nenad B., Nikolić, Maria Vesna, "An Eco-friendly Approach to ZnO NP Synthesis Using Citrus reticulata Blanco Peel/Extract: Characterization and Antibacterial and Photocatalytic Activity" in ACS Applied Bio Materials (2024),
https://doi.org/10.1021/acsabm.4c00079 . .

TY  - JOUR
AU  - Zou, Wei
AU  - Lou, Bibo
AU  - Kurboniyon, Mekhrdod S.
AU  - Buryi, Maksym
AU  - Rahimi, Farhod
AU  - Srivastava, Alok M.
AU  - Brik, Mikhail G.
AU  - Wang, Jing
AU  - Ma, Chonggeng
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13187
AB  - In this study, we conducted an extensive investigation into broadband near-infrared luminescence of Cr3+-doped Ca3Y2Ge3O12 garnet, employing first-principles calculations within the density functional theory framework. Our initial focus involved determining the site occupancy of Cr3+ activator ions, which revealed a pronounced preference for the Y3+ sites over the Ca2+ and Ge4+ sites, as evidenced by the formation energy calculations. Subsequently, the geometric structures of the excited states 2E and 4T2, along with their optical transition energies relative to the ground state 4A2 in Ca3Y2Ge3O12:Cr3+, were successfully modeled using the ΔSCF method. Calculation convergence challenges were effectively addressed through the proposed fractional particle occupancy schemes. The constructed host-referred binding energy diagram provided a clear description of the luminescence kinetics process in the garnet, which explained the high quantum efficiency of emission. Furthermore, the accurate prediction of thermal excitation energy yielded insights into the thermal stability of the compound, as illustrated in the calculated configuration coordinate diagram. More importantly, all calculated data were consistently aligned with the experimental results. This research not only advances our understanding of the intricate interplay between geometric and electronic structures, optical properties, and thermal behavior in Cr3+-doped garnets but also lays the groundwork for future breakthroughs in the high-throughput design and optimization of luminescent performance and thermal stability in Cr3+-doped phosphors.
T2  - Materials
T1  - Unraveling Broadband Near-Infrared Luminescence in Cr3+-Doped Ca3Y2Ge3O12 Garnets: Insights from First-Principles Analysis
VL  - 17
IS  - 7
SP  - 1709
DO  - 10.3390/ma17071709
ER  - 

@article{
author = "Zou, Wei and Lou, Bibo and Kurboniyon, Mekhrdod S. and Buryi, Maksym and Rahimi, Farhod and Srivastava, Alok M. and Brik, Mikhail G. and Wang, Jing and Ma, Chonggeng",
year = "2024",
abstract = "In this study, we conducted an extensive investigation into broadband near-infrared luminescence of Cr3+-doped Ca3Y2Ge3O12 garnet, employing first-principles calculations within the density functional theory framework. Our initial focus involved determining the site occupancy of Cr3+ activator ions, which revealed a pronounced preference for the Y3+ sites over the Ca2+ and Ge4+ sites, as evidenced by the formation energy calculations. Subsequently, the geometric structures of the excited states 2E and 4T2, along with their optical transition energies relative to the ground state 4A2 in Ca3Y2Ge3O12:Cr3+, were successfully modeled using the ΔSCF method. Calculation convergence challenges were effectively addressed through the proposed fractional particle occupancy schemes. The constructed host-referred binding energy diagram provided a clear description of the luminescence kinetics process in the garnet, which explained the high quantum efficiency of emission. Furthermore, the accurate prediction of thermal excitation energy yielded insights into the thermal stability of the compound, as illustrated in the calculated configuration coordinate diagram. More importantly, all calculated data were consistently aligned with the experimental results. This research not only advances our understanding of the intricate interplay between geometric and electronic structures, optical properties, and thermal behavior in Cr3+-doped garnets but also lays the groundwork for future breakthroughs in the high-throughput design and optimization of luminescent performance and thermal stability in Cr3+-doped phosphors.",
journal = "Materials",
title = "Unraveling Broadband Near-Infrared Luminescence in Cr3+-Doped Ca3Y2Ge3O12 Garnets: Insights from First-Principles Analysis",
volume = "17",
number = "7",
pages = "1709",
doi = "10.3390/ma17071709"
}

Zou, W., Lou, B., Kurboniyon, M. S., Buryi, M., Rahimi, F., Srivastava, A. M., Brik, M. G., Wang, J.,& Ma, C.. (2024). Unraveling Broadband Near-Infrared Luminescence in Cr3+-Doped Ca3Y2Ge3O12 Garnets: Insights from First-Principles Analysis. in Materials, 17(7), 1709.
https://doi.org/10.3390/ma17071709

Zou W, Lou B, Kurboniyon MS, Buryi M, Rahimi F, Srivastava AM, Brik MG, Wang J, Ma C. Unraveling Broadband Near-Infrared Luminescence in Cr3+-Doped Ca3Y2Ge3O12 Garnets: Insights from First-Principles Analysis. in Materials. 2024;17(7):1709.
doi:10.3390/ma17071709 .

Zou, Wei, Lou, Bibo, Kurboniyon, Mekhrdod S., Buryi, Maksym, Rahimi, Farhod, Srivastava, Alok M., Brik, Mikhail G., Wang, Jing, Ma, Chonggeng, "Unraveling Broadband Near-Infrared Luminescence in Cr3+-Doped Ca3Y2Ge3O12 Garnets: Insights from First-Principles Analysis" in Materials, 17, no. 7 (2024):1709,
https://doi.org/10.3390/ma17071709 . .

TY  - JOUR
AU  - Jose, Ajay
AU  - Bansal, Mahima
AU  - Svirskis, Darren
AU  - Swift, Simon
AU  - Gizdavić-Nikolaidis, Marija
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13186
AB  - The potential application of colloidal polyaniline (PANI) as an antimicrobial is limited by challenges related to solubility in common organic solvents, scalability, and antimicrobial potency. To address these limitations, we introduced a functionalized PANI (fPANI) with carboxyl groups through the polymerisation of aniline and 3-aminobenzoic acid in a 1:1 molar ratio. fPANI is more soluble than PANI which was determined using a qualitative study. We further enhanced the solubility and antimicrobial activity of fPANI by incorporating Ag nanoparticles onto the synthesized fPANI colloid via direct addition of 10 mM AgNO3. The improved solubility can be attributed to an approximately 3-fold reduction in size of particles. Mean particle sizes are measured at 1322 nm for fPANI colloid and 473 nm for fPANI-Ag colloid, showing a high dispersion and deagglomeration effect from Ag nanoparticles. Antimicrobial tests demonstrated that fPANI-Ag colloids exhibited superior potency against Gram-positive Staphylococcus aureus, Gram-negative Escherichia coli, and Bacteriophage PhiX 174 when compared to fPANI alone. The minimum bactericidal concentration (MBC) and minimum virucidal concentration (MVC) values were halved for fPANI-Ag compared to fPANI colloid and attributed to the combination of Ag nanoparticles with the fPANI polymer. The antimicrobial fPANI-Ag colloid presented in this study shows promising results, and further exploration into scale-up can be pursued for potential biomedical applications.
T2  - Colloids and Surfaces B: Biointerfaces
T1  - Synthesis and characterization of antimicrobial colloidal polyanilines
VL  - 238
SP  - 113912
DO  - 10.1016/j.colsurfb.2024.113912
ER  - 

@article{
author = "Jose, Ajay and Bansal, Mahima and Svirskis, Darren and Swift, Simon and Gizdavić-Nikolaidis, Marija",
year = "2024",
abstract = "The potential application of colloidal polyaniline (PANI) as an antimicrobial is limited by challenges related to solubility in common organic solvents, scalability, and antimicrobial potency. To address these limitations, we introduced a functionalized PANI (fPANI) with carboxyl groups through the polymerisation of aniline and 3-aminobenzoic acid in a 1:1 molar ratio. fPANI is more soluble than PANI which was determined using a qualitative study. We further enhanced the solubility and antimicrobial activity of fPANI by incorporating Ag nanoparticles onto the synthesized fPANI colloid via direct addition of 10 mM AgNO3. The improved solubility can be attributed to an approximately 3-fold reduction in size of particles. Mean particle sizes are measured at 1322 nm for fPANI colloid and 473 nm for fPANI-Ag colloid, showing a high dispersion and deagglomeration effect from Ag nanoparticles. Antimicrobial tests demonstrated that fPANI-Ag colloids exhibited superior potency against Gram-positive Staphylococcus aureus, Gram-negative Escherichia coli, and Bacteriophage PhiX 174 when compared to fPANI alone. The minimum bactericidal concentration (MBC) and minimum virucidal concentration (MVC) values were halved for fPANI-Ag compared to fPANI colloid and attributed to the combination of Ag nanoparticles with the fPANI polymer. The antimicrobial fPANI-Ag colloid presented in this study shows promising results, and further exploration into scale-up can be pursued for potential biomedical applications.",
journal = "Colloids and Surfaces B: Biointerfaces",
title = "Synthesis and characterization of antimicrobial colloidal polyanilines",
volume = "238",
pages = "113912",
doi = "10.1016/j.colsurfb.2024.113912"
}

Jose, A., Bansal, M., Svirskis, D., Swift, S.,& Gizdavić-Nikolaidis, M.. (2024). Synthesis and characterization of antimicrobial colloidal polyanilines. in Colloids and Surfaces B: Biointerfaces, 238, 113912.
https://doi.org/10.1016/j.colsurfb.2024.113912

Jose A, Bansal M, Svirskis D, Swift S, Gizdavić-Nikolaidis M. Synthesis and characterization of antimicrobial colloidal polyanilines. in Colloids and Surfaces B: Biointerfaces. 2024;238:113912.
doi:10.1016/j.colsurfb.2024.113912 .

Jose, Ajay, Bansal, Mahima, Svirskis, Darren, Swift, Simon, Gizdavić-Nikolaidis, Marija, "Synthesis and characterization of antimicrobial colloidal polyanilines" in Colloids and Surfaces B: Biointerfaces, 238 (2024):113912,
https://doi.org/10.1016/j.colsurfb.2024.113912 . .

TY  - JOUR
AU  - Klisić, Aleksandra
AU  - Patoulias, Dimitrios
AU  - Isenović, Esma R.
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13182
T2  - Frontiers in Endocrinology
T1  - Editorial: Oxidative stress and inflammation in cardiometabolic disorders
VL  - 15
DO  - 10.3389/fendo.2024.1397836
ER  - 

@article{
author = "Klisić, Aleksandra and Patoulias, Dimitrios and Isenović, Esma R.",
year = "2024",
journal = "Frontiers in Endocrinology",
title = "Editorial: Oxidative stress and inflammation in cardiometabolic disorders",
volume = "15",
doi = "10.3389/fendo.2024.1397836"
}

Klisić, A., Patoulias, D.,& Isenović, E. R.. (2024). Editorial: Oxidative stress and inflammation in cardiometabolic disorders. in Frontiers in Endocrinology, 15.
https://doi.org/10.3389/fendo.2024.1397836

Klisić A, Patoulias D, Isenović ER. Editorial: Oxidative stress and inflammation in cardiometabolic disorders. in Frontiers in Endocrinology. 2024;15.
doi:10.3389/fendo.2024.1397836 .

Klisić, Aleksandra, Patoulias, Dimitrios, Isenović, Esma R., "Editorial: Oxidative stress and inflammation in cardiometabolic disorders" in Frontiers in Endocrinology, 15 (2024),
https://doi.org/10.3389/fendo.2024.1397836 . .

TY  - JOUR
AU  - Rajković, Katarina M.
AU  - Đurašević, Mirjana
AU  - Markićević, Milan
AU  - Milanović, Zorana
AU  - Vranješ-Đurić, Sanja
AU  - Janković, Drina
AU  - Mirković, Marija
AU  - Mutić, Jelena
AU  - Obradović, Zorica
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13181
AB  - The aim of this work was to analyze the multi-elemental composition of the extracts of J. nigra husk, with an assessment of the possible influence of their microelements on biochemical, toxicological and radioprotective effects of in rats exposed to radiation from 99mTc-radiopharmaceuticals. The elements in extract were quantified: microelements (Zn>Al>Se>Cu>Sr>Cr>Ni>Mn>Ba>I>V) and toxic-elements (Pb>Hg>Cd>As). The use of extract in rats showed no clinical evidence of toxicity in terms of biochemical parameters. The results showed significant alteration in the organs accumulation of 99mTc-radiopharmaceuticals. The results showed that extract of J. nigra husk may act as a potential radioprotector of organ system.
T2  - Journal of Radioanalytical and Nuclear Chemistry
T1  - Roles of Junglas nigra husk extract microelements as radioprotectors: an in vivo model using 99mTc-radiopharmaceuticals
DO  - 10.1007/s10967-024-09464-z
ER  - 

@article{
author = "Rajković, Katarina M. and Đurašević, Mirjana and Markićević, Milan and Milanović, Zorana and Vranješ-Đurić, Sanja and Janković, Drina and Mirković, Marija and Mutić, Jelena and Obradović, Zorica",
year = "2024",
abstract = "The aim of this work was to analyze the multi-elemental composition of the extracts of J. nigra husk, with an assessment of the possible influence of their microelements on biochemical, toxicological and radioprotective effects of in rats exposed to radiation from 99mTc-radiopharmaceuticals. The elements in extract were quantified: microelements (Zn>Al>Se>Cu>Sr>Cr>Ni>Mn>Ba>I>V) and toxic-elements (Pb>Hg>Cd>As). The use of extract in rats showed no clinical evidence of toxicity in terms of biochemical parameters. The results showed significant alteration in the organs accumulation of 99mTc-radiopharmaceuticals. The results showed that extract of J. nigra husk may act as a potential radioprotector of organ system.",
journal = "Journal of Radioanalytical and Nuclear Chemistry",
title = "Roles of Junglas nigra husk extract microelements as radioprotectors: an in vivo model using 99mTc-radiopharmaceuticals",
doi = "10.1007/s10967-024-09464-z"
}

Rajković, K. M., Đurašević, M., Markićević, M., Milanović, Z., Vranješ-Đurić, S., Janković, D., Mirković, M., Mutić, J.,& Obradović, Z.. (2024). Roles of Junglas nigra husk extract microelements as radioprotectors: an in vivo model using 99mTc-radiopharmaceuticals. in Journal of Radioanalytical and Nuclear Chemistry.
https://doi.org/10.1007/s10967-024-09464-z

Rajković KM, Đurašević M, Markićević M, Milanović Z, Vranješ-Đurić S, Janković D, Mirković M, Mutić J, Obradović Z. Roles of Junglas nigra husk extract microelements as radioprotectors: an in vivo model using 99mTc-radiopharmaceuticals. in Journal of Radioanalytical and Nuclear Chemistry. 2024;.
doi:10.1007/s10967-024-09464-z .

Rajković, Katarina M., Đurašević, Mirjana, Markićević, Milan, Milanović, Zorana, Vranješ-Đurić, Sanja, Janković, Drina, Mirković, Marija, Mutić, Jelena, Obradović, Zorica, "Roles of Junglas nigra husk extract microelements as radioprotectors: an in vivo model using 99mTc-radiopharmaceuticals" in Journal of Radioanalytical and Nuclear Chemistry (2024),
https://doi.org/10.1007/s10967-024-09464-z . .

TY  - JOUR
AU  - Omerašević, Mia
AU  - Pavkov, Vladimir
AU  - Rosić, Milena
AU  - Egerić, Marija
AU  - Nenadović, Snežana
AU  - Bučevac, Dušan
AU  - Potkonjak, Nebojša
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13094
AB  - Porous anorthite (CaAl2Si2O8) ceramics, suitable for thermal insulation in buildings, were obtained using waste seashells as a source of CaO, kaolin as a source of Al2O3 and SiO2 and banana peel as a pore former. Changing the volume of banana peel as well as the processing temperature was found to be an effective approach to control the thermo-mechanical properties of the obtained anorthite ceramics. The sintering of powder compacts containing up to 30 wt% banana peel at temperatures ranging from 1100 to 1200 °C resulted in anorthite ceramics possessing up to 45% open porosity, a compressive strength between 13 and 92 MPa, a bulk density between 1.87 and 2.62 g/cm3 and thermal conductivity between 0.097 and 3.5 W/mK. It was shown that waste materials such as seashells and banana peel can be used to obtain cost-effective thermal insulation in buildings.
T2  - Materials
T1  - Fabrication of Porous Anorthite Ceramic Insulation Using Solid Wastes
VL  - 17
IS  - 7
SP  - 1478
DO  - 10.3390/ma17071478
ER  - 

@article{
author = "Omerašević, Mia and Pavkov, Vladimir and Rosić, Milena and Egerić, Marija and Nenadović, Snežana and Bučevac, Dušan and Potkonjak, Nebojša",
year = "2024",
abstract = "Porous anorthite (CaAl2Si2O8) ceramics, suitable for thermal insulation in buildings, were obtained using waste seashells as a source of CaO, kaolin as a source of Al2O3 and SiO2 and banana peel as a pore former. Changing the volume of banana peel as well as the processing temperature was found to be an effective approach to control the thermo-mechanical properties of the obtained anorthite ceramics. The sintering of powder compacts containing up to 30 wt% banana peel at temperatures ranging from 1100 to 1200 °C resulted in anorthite ceramics possessing up to 45% open porosity, a compressive strength between 13 and 92 MPa, a bulk density between 1.87 and 2.62 g/cm3 and thermal conductivity between 0.097 and 3.5 W/mK. It was shown that waste materials such as seashells and banana peel can be used to obtain cost-effective thermal insulation in buildings.",
journal = "Materials",
title = "Fabrication of Porous Anorthite Ceramic Insulation Using Solid Wastes",
volume = "17",
number = "7",
pages = "1478",
doi = "10.3390/ma17071478"
}

Omerašević, M., Pavkov, V., Rosić, M., Egerić, M., Nenadović, S., Bučevac, D.,& Potkonjak, N.. (2024). Fabrication of Porous Anorthite Ceramic Insulation Using Solid Wastes. in Materials, 17(7), 1478.
https://doi.org/10.3390/ma17071478

Omerašević M, Pavkov V, Rosić M, Egerić M, Nenadović S, Bučevac D, Potkonjak N. Fabrication of Porous Anorthite Ceramic Insulation Using Solid Wastes. in Materials. 2024;17(7):1478.
doi:10.3390/ma17071478 .

Omerašević, Mia, Pavkov, Vladimir, Rosić, Milena, Egerić, Marija, Nenadović, Snežana, Bučevac, Dušan, Potkonjak, Nebojša, "Fabrication of Porous Anorthite Ceramic Insulation Using Solid Wastes" in Materials, 17, no. 7 (2024):1478,
https://doi.org/10.3390/ma17071478 . .

TY  - JOUR
AU  - Jose, Ajay
AU  - Yadav, Pooja
AU  - Svirskis, Darren
AU  - Swift, Simon
AU  - Gizdavić-Nikolaidis, Marija
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12827
AB  - Surface contamination and transmission can lead to Hospital Acquired Infections (HAI) in a healthcare environment. To tackle this problem, a sustainable antimicrobial coating is desirable. Photocatalytic coatings with titanium dioxide (TiO2) as the main component activated by UV light are one option. In order to implement the coating in a real-world hospital setting the photocatalytic component must show activity under visible light. In this article the TiO2 photocatalyst was synthesised as both 2- and 3- component composites with polyaniline (PANI) or poly(aniline-co-3-aminobenzoic acid) (fPANI) and Ag nanoparticles to achieve photocatalytic performance activated by visible light. The UV-DRS results supported the visible light photocatalytic capability of both 2- and 3-component composite systems, and the ESR spectra exhibited the presence of charge carriers (unpaired electrons), which was confirmed by conductivity studies. The intensity of the ESR peak increases around 3-fold for PANI/fPANI-TiO2-Ag composites compared to pure PANI/fPANI. The conductivity of pure PANI and fPANI was only mildly enhanced in 3-component systems, which could be due to presence of TiO2, whereas the value increased by around three times for PANI/fPANI-Ag 2-component system due to conductive Ag nanoparticles. The composites with fPANI showed improved antimicrobial activity than PANI composites against three representative microorganisms Escherichia coli, Staphylococcus aureus and a model viral strain bacteriophage Phi X 174. Finally, we proposed a mechanism for photocatalytic activity for both 2- and 3- component systems.
T2  - Synthetic Metals
T1  - Antimicrobial photocatalytic PANI based-composites for biomedical applications
VL  - 303
SP  - 117562
DO  - 10.1016/j.synthmet.2024.117562
ER  - 

@article{
author = "Jose, Ajay and Yadav, Pooja and Svirskis, Darren and Swift, Simon and Gizdavić-Nikolaidis, Marija",
year = "2024",
abstract = "Surface contamination and transmission can lead to Hospital Acquired Infections (HAI) in a healthcare environment. To tackle this problem, a sustainable antimicrobial coating is desirable. Photocatalytic coatings with titanium dioxide (TiO2) as the main component activated by UV light are one option. In order to implement the coating in a real-world hospital setting the photocatalytic component must show activity under visible light. In this article the TiO2 photocatalyst was synthesised as both 2- and 3- component composites with polyaniline (PANI) or poly(aniline-co-3-aminobenzoic acid) (fPANI) and Ag nanoparticles to achieve photocatalytic performance activated by visible light. The UV-DRS results supported the visible light photocatalytic capability of both 2- and 3-component composite systems, and the ESR spectra exhibited the presence of charge carriers (unpaired electrons), which was confirmed by conductivity studies. The intensity of the ESR peak increases around 3-fold for PANI/fPANI-TiO2-Ag composites compared to pure PANI/fPANI. The conductivity of pure PANI and fPANI was only mildly enhanced in 3-component systems, which could be due to presence of TiO2, whereas the value increased by around three times for PANI/fPANI-Ag 2-component system due to conductive Ag nanoparticles. The composites with fPANI showed improved antimicrobial activity than PANI composites against three representative microorganisms Escherichia coli, Staphylococcus aureus and a model viral strain bacteriophage Phi X 174. Finally, we proposed a mechanism for photocatalytic activity for both 2- and 3- component systems.",
journal = "Synthetic Metals",
title = "Antimicrobial photocatalytic PANI based-composites for biomedical applications",
volume = "303",
pages = "117562",
doi = "10.1016/j.synthmet.2024.117562"
}

Jose, A., Yadav, P., Svirskis, D., Swift, S.,& Gizdavić-Nikolaidis, M.. (2024). Antimicrobial photocatalytic PANI based-composites for biomedical applications. in Synthetic Metals, 303, 117562.
https://doi.org/10.1016/j.synthmet.2024.117562

Jose A, Yadav P, Svirskis D, Swift S, Gizdavić-Nikolaidis M. Antimicrobial photocatalytic PANI based-composites for biomedical applications. in Synthetic Metals. 2024;303:117562.
doi:10.1016/j.synthmet.2024.117562 .

Jose, Ajay, Yadav, Pooja, Svirskis, Darren, Swift, Simon, Gizdavić-Nikolaidis, Marija, "Antimicrobial photocatalytic PANI based-composites for biomedical applications" in Synthetic Metals, 303 (2024):117562,
https://doi.org/10.1016/j.synthmet.2024.117562 . .

TY  - JOUR
AU  - Anđelković, Miroslav
AU  - Maletić, Slobodan
AU  - Stošić, Tatijana
AU  - Stošić, Borko
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13178
AB  - Applied algebraic topology is employed in this work to shed new light on the rainfall dynamics in the Pernambuco state, Brazil. Historical data from the NASA's Tropical Rainfall Measuring Mission (TRMM) precipitation processing system, for the period 1998 to 2020 with a spatial resolution of 0.25° and temporal resolution of 3 h is used to construct correlation matrices in different time frames. Matrices are then analyzed in terms of topological constructs of network theory to yield novel insights into this highly complex phenomenon in this semiarid, ecologically vulnerable area. The outcomes of the algebraic topological analysis reveal clustering patterns of areas and are related to natural climate phenomena. Together with the generality of the applied methodology, the results suggest a broad scope of future applications for the extraction of patterns in datasets related to the changes in the climate system.
T2  - Chaos, Solitons and Fractals
T1  - Rainfall dynamics in an ecologically vulnerable area using applied algebraic topology methods
VL  - 182
SP  - 114782
DO  - 10.1016/j.chaos.2024.114782
ER  - 

@article{
author = "Anđelković, Miroslav and Maletić, Slobodan and Stošić, Tatijana and Stošić, Borko",
year = "2024",
abstract = "Applied algebraic topology is employed in this work to shed new light on the rainfall dynamics in the Pernambuco state, Brazil. Historical data from the NASA's Tropical Rainfall Measuring Mission (TRMM) precipitation processing system, for the period 1998 to 2020 with a spatial resolution of 0.25° and temporal resolution of 3 h is used to construct correlation matrices in different time frames. Matrices are then analyzed in terms of topological constructs of network theory to yield novel insights into this highly complex phenomenon in this semiarid, ecologically vulnerable area. The outcomes of the algebraic topological analysis reveal clustering patterns of areas and are related to natural climate phenomena. Together with the generality of the applied methodology, the results suggest a broad scope of future applications for the extraction of patterns in datasets related to the changes in the climate system.",
journal = "Chaos, Solitons and Fractals",
title = "Rainfall dynamics in an ecologically vulnerable area using applied algebraic topology methods",
volume = "182",
pages = "114782",
doi = "10.1016/j.chaos.2024.114782"
}

Anđelković, M., Maletić, S., Stošić, T.,& Stošić, B.. (2024). Rainfall dynamics in an ecologically vulnerable area using applied algebraic topology methods. in Chaos, Solitons and Fractals, 182, 114782.
https://doi.org/10.1016/j.chaos.2024.114782

Anđelković M, Maletić S, Stošić T, Stošić B. Rainfall dynamics in an ecologically vulnerable area using applied algebraic topology methods. in Chaos, Solitons and Fractals. 2024;182:114782.
doi:10.1016/j.chaos.2024.114782 .

Anđelković, Miroslav, Maletić, Slobodan, Stošić, Tatijana, Stošić, Borko, "Rainfall dynamics in an ecologically vulnerable area using applied algebraic topology methods" in Chaos, Solitons and Fractals, 182 (2024):114782,
https://doi.org/10.1016/j.chaos.2024.114782 . .

TY  - JOUR
AU  - Vasović, Dolika D.
AU  - Ivković, Sanja
AU  - Živanović, Ana
AU  - Major, Tamara
AU  - Milašin, Jelena M.
AU  - Nikolić, Nađa S.
AU  - Simonović, Jelena
AU  - Šutulović, Nikola
AU  - Hrnčić, Dragan
AU  - Stanojlović, Olivera
AU  - Vesković, Milena
AU  - Rašić, Dejan M.
AU  - Mladenović, Dušan
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13177
AB  - Diabetic retinopathy is not cured efficiently and changes of lifestyle measures may delay early retinal injury indiabetes. The aim of our study was to investigate the effects of reduced daily light exposure on retinal vascularchanges in streptozotocin (STZ)-induced model of DM with emphasis on inflammation, Aqp4 expression, visualcycle and cholesterol metabolism-related gene expression in rat retina and RPE. Male Wistar rats were dividedinto the following groups: 1. control; 2. diabetic group (DM) treated with streptozotocin (100 mg/kg); 3. groupexposed to light/dark cycle 6/18 h (6/18); 4. diabetic group exposed to light/dark cycle 6/18 h (DM+6/18).Retinal vascular abnormalities were estimated based on lectin staining, while the expression of genes involved inthe visual cycle, cholesterol metabolism, and inflammation was determined by qRT-PCR. Reduced light exposurealleviated vasculopathy, gliosis and the expression of IL-1 and TNF-α in the retina with increased perivascularAqp4 expression. The expression of genes involved in visual cycle and cholesterol metabolism was significantlyup-regulated in RPE in DM+6/18 vs. DM group. In the retina only the expression of APOE was significantlyhigher in DM+6/18 vs. DM group. Reduced light exposure mitigates vascular changes and gliosis in DM via itsanti-inflammatory effect, increased retinal cholesterol turnover and perivascular Aqp4 expression.
T2  - Chemico-Biological Interactions
T1  - Reduced light exposure mitigates streptozotocin-induced vascular changes and gliosis in diabetic retina by an anti-inflammatory effect and increased retinal cholesterol turnover
VL  - 394
SP  - 110996
DO  - 10.1016/j.cbi.2024.110996
ER  - 

@article{
author = "Vasović, Dolika D. and Ivković, Sanja and Živanović, Ana and Major, Tamara and Milašin, Jelena M. and Nikolić, Nađa S. and Simonović, Jelena and Šutulović, Nikola and Hrnčić, Dragan and Stanojlović, Olivera and Vesković, Milena and Rašić, Dejan M. and Mladenović, Dušan",
year = "2024",
abstract = "Diabetic retinopathy is not cured efficiently and changes of lifestyle measures may delay early retinal injury indiabetes. The aim of our study was to investigate the effects of reduced daily light exposure on retinal vascularchanges in streptozotocin (STZ)-induced model of DM with emphasis on inflammation, Aqp4 expression, visualcycle and cholesterol metabolism-related gene expression in rat retina and RPE. Male Wistar rats were dividedinto the following groups: 1. control; 2. diabetic group (DM) treated with streptozotocin (100 mg/kg); 3. groupexposed to light/dark cycle 6/18 h (6/18); 4. diabetic group exposed to light/dark cycle 6/18 h (DM+6/18).Retinal vascular abnormalities were estimated based on lectin staining, while the expression of genes involved inthe visual cycle, cholesterol metabolism, and inflammation was determined by qRT-PCR. Reduced light exposurealleviated vasculopathy, gliosis and the expression of IL-1 and TNF-α in the retina with increased perivascularAqp4 expression. The expression of genes involved in visual cycle and cholesterol metabolism was significantlyup-regulated in RPE in DM+6/18 vs. DM group. In the retina only the expression of APOE was significantlyhigher in DM+6/18 vs. DM group. Reduced light exposure mitigates vascular changes and gliosis in DM via itsanti-inflammatory effect, increased retinal cholesterol turnover and perivascular Aqp4 expression.",
journal = "Chemico-Biological Interactions",
title = "Reduced light exposure mitigates streptozotocin-induced vascular changes and gliosis in diabetic retina by an anti-inflammatory effect and increased retinal cholesterol turnover",
volume = "394",
pages = "110996",
doi = "10.1016/j.cbi.2024.110996"
}

Vasović, D. D., Ivković, S., Živanović, A., Major, T., Milašin, J. M., Nikolić, N. S., Simonović, J., Šutulović, N., Hrnčić, D., Stanojlović, O., Vesković, M., Rašić, D. M.,& Mladenović, D.. (2024). Reduced light exposure mitigates streptozotocin-induced vascular changes and gliosis in diabetic retina by an anti-inflammatory effect and increased retinal cholesterol turnover. in Chemico-Biological Interactions, 394, 110996.
https://doi.org/10.1016/j.cbi.2024.110996

Vasović DD, Ivković S, Živanović A, Major T, Milašin JM, Nikolić NS, Simonović J, Šutulović N, Hrnčić D, Stanojlović O, Vesković M, Rašić DM, Mladenović D. Reduced light exposure mitigates streptozotocin-induced vascular changes and gliosis in diabetic retina by an anti-inflammatory effect and increased retinal cholesterol turnover. in Chemico-Biological Interactions. 2024;394:110996.
doi:10.1016/j.cbi.2024.110996 .

Vasović, Dolika D., Ivković, Sanja, Živanović, Ana, Major, Tamara, Milašin, Jelena M., Nikolić, Nađa S., Simonović, Jelena, Šutulović, Nikola, Hrnčić, Dragan, Stanojlović, Olivera, Vesković, Milena, Rašić, Dejan M., Mladenović, Dušan, "Reduced light exposure mitigates streptozotocin-induced vascular changes and gliosis in diabetic retina by an anti-inflammatory effect and increased retinal cholesterol turnover" in Chemico-Biological Interactions, 394 (2024):110996,
https://doi.org/10.1016/j.cbi.2024.110996 . .

TY  - JOUR
AU  - Anđelković, Ljubica
AU  - Šuljagić, Marija
AU  - Pavlović, Vladimir
AU  - Mirković, Miljana
AU  - Vrbica, Boško
AU  - Novaković, Irena
AU  - Stanković, Dalibor
AU  - Kremenović, Aleksandar
AU  - Uskoković, Vuk
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13175
AB  - Metals and metal oxides have subpar antibacterial activities compared to those of small-molecule antibiotics, yet there are hopes that with proper compositional and structural adjustments this gap might be bridged. In this study, titanium dioxide (TiO2) nanoparticles were mechanically activated and combined with particulate silver through simple reduction process elicited by UV irradiation and assisted with the ultrasound. The resulting powders in various combinations (Ag vs. no Ag, activated vs. non-activated) were characterized using a range of experimental techniques and assessed for their antibacterial activities. The preparation procedure presented in this work prevails over the disadvantages of many chemical routes, most critically by avoiding the use of toxic substances. The mechanical activation did not reduce the particle size or crystallinity of TiO2 nor did it consistently alter the bandgap, yet it enabled the doubling of the amount of silver incorporable into the material. Further, while both mechanical activation and the addition of silver in the amount not exceeding 0.5 wt% produced barely detectable structural changes in the material, they both augmented its antibacterial activity. The precursor TiO2 powder produced no inhibition zone against any of the four bacterial species tested, while the mechanical activation of TiO2 led to the formation of distinct inhibition zones against each of the four bacterial species tested. The addition of silver to activated TiO2 further widened the inhibition zones and it also imparted the antibacterial activity to non-activated TiO2. The boost in the antibacterial activity achieved by the short mechanical activation was of a similar magnitude as the boost obtained after the addition of silver. The antibacterial activity was not different for different species when no silver was added to the system. However, with the addition of silver, species selectivity was obtained, as the composites were more effective against the two Gram-negative species (Escherichia coli and Klebsiella pneumoniae) than against the two Gram-positive ones (Staphylococcus aureus and Bacillus subtilis). The antibacterial activity increased with the addition of silver in the broth assay, but it was mediocre compared to that detected in the agar assay, attesting to the poor dispersability of the powders and their best performance when the bacterial cells migrate to the composite surface than vice versa. The findings of this study give hope that with appropriate microstructural or compositional alterations, the antibacterial activity of metal oxide powders and inorganic materials in general can be made comparable to that of small-molecule antibiotics.
T2  - Colloids and Surfaces A: Physicochemical and Engineering Aspects
T1  - Mechanical activation and silver supplementation as determinants of the antibacterial activity of titanium dioxide nanoparticles
VL  - 691
SP  - 133890
DO  - 10.1016/j.colsurfa.2024.133890
ER  - 

@article{
author = "Anđelković, Ljubica and Šuljagić, Marija and Pavlović, Vladimir and Mirković, Miljana and Vrbica, Boško and Novaković, Irena and Stanković, Dalibor and Kremenović, Aleksandar and Uskoković, Vuk",
year = "2024",
abstract = "Metals and metal oxides have subpar antibacterial activities compared to those of small-molecule antibiotics, yet there are hopes that with proper compositional and structural adjustments this gap might be bridged. In this study, titanium dioxide (TiO2) nanoparticles were mechanically activated and combined with particulate silver through simple reduction process elicited by UV irradiation and assisted with the ultrasound. The resulting powders in various combinations (Ag vs. no Ag, activated vs. non-activated) were characterized using a range of experimental techniques and assessed for their antibacterial activities. The preparation procedure presented in this work prevails over the disadvantages of many chemical routes, most critically by avoiding the use of toxic substances. The mechanical activation did not reduce the particle size or crystallinity of TiO2 nor did it consistently alter the bandgap, yet it enabled the doubling of the amount of silver incorporable into the material. Further, while both mechanical activation and the addition of silver in the amount not exceeding 0.5 wt% produced barely detectable structural changes in the material, they both augmented its antibacterial activity. The precursor TiO2 powder produced no inhibition zone against any of the four bacterial species tested, while the mechanical activation of TiO2 led to the formation of distinct inhibition zones against each of the four bacterial species tested. The addition of silver to activated TiO2 further widened the inhibition zones and it also imparted the antibacterial activity to non-activated TiO2. The boost in the antibacterial activity achieved by the short mechanical activation was of a similar magnitude as the boost obtained after the addition of silver. The antibacterial activity was not different for different species when no silver was added to the system. However, with the addition of silver, species selectivity was obtained, as the composites were more effective against the two Gram-negative species (Escherichia coli and Klebsiella pneumoniae) than against the two Gram-positive ones (Staphylococcus aureus and Bacillus subtilis). The antibacterial activity increased with the addition of silver in the broth assay, but it was mediocre compared to that detected in the agar assay, attesting to the poor dispersability of the powders and their best performance when the bacterial cells migrate to the composite surface than vice versa. The findings of this study give hope that with appropriate microstructural or compositional alterations, the antibacterial activity of metal oxide powders and inorganic materials in general can be made comparable to that of small-molecule antibiotics.",
journal = "Colloids and Surfaces A: Physicochemical and Engineering Aspects",
title = "Mechanical activation and silver supplementation as determinants of the antibacterial activity of titanium dioxide nanoparticles",
volume = "691",
pages = "133890",
doi = "10.1016/j.colsurfa.2024.133890"
}

Anđelković, L., Šuljagić, M., Pavlović, V., Mirković, M., Vrbica, B., Novaković, I., Stanković, D., Kremenović, A.,& Uskoković, V.. (2024). Mechanical activation and silver supplementation as determinants of the antibacterial activity of titanium dioxide nanoparticles. in Colloids and Surfaces A: Physicochemical and Engineering Aspects, 691, 133890.
https://doi.org/10.1016/j.colsurfa.2024.133890

Anđelković L, Šuljagić M, Pavlović V, Mirković M, Vrbica B, Novaković I, Stanković D, Kremenović A, Uskoković V. Mechanical activation and silver supplementation as determinants of the antibacterial activity of titanium dioxide nanoparticles. in Colloids and Surfaces A: Physicochemical and Engineering Aspects. 2024;691:133890.
doi:10.1016/j.colsurfa.2024.133890 .

Anđelković, Ljubica, Šuljagić, Marija, Pavlović, Vladimir, Mirković, Miljana, Vrbica, Boško, Novaković, Irena, Stanković, Dalibor, Kremenović, Aleksandar, Uskoković, Vuk, "Mechanical activation and silver supplementation as determinants of the antibacterial activity of titanium dioxide nanoparticles" in Colloids and Surfaces A: Physicochemical and Engineering Aspects, 691 (2024):133890,
https://doi.org/10.1016/j.colsurfa.2024.133890 . .

TY  - JOUR
AU  - Trpkov, Đorđe
AU  - Sredojević, Dušan
AU  - Pajović, Jelena
AU  - Tošić, Dragana
AU  - Božanić, Dušan K.
AU  - Đoković, Vladimir
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13176
AB  - Nitrogen-doped carbon dots (NCD) were synthesized using a simple and fast hydrothermal route, employing citric acid and urea as precursors. The resulting NCDs were non-covalently functionalized (conjugated) with aromatic amino acids, namely phenylalanine (Phe) and tryptophan (Trp). Atomic force microscopy revealed that the NCDs exhibit a disk-like morphology with an average diameter of approximately 60 nm and an average height of about 0.5 nm. Following conjugation, the particle height increased to around 3 nm. UV–vis spectroscopy analysis indicated successful conjugation of the amino acids to the NCD nanostructures. Additionally, DFT numerical calculations based on three differently N-doped clusters were performed to elucidate the nature of the non-covalent interactions between NCDs and the corresponding amino acids. Photoluminescent spectra demonstrated a stable and strong fluorescence signal for both hybrids in the UV region. The most significant changes were observed in the case of Trp-conjugation. In contrast to phenylalanine, the non-covalent bonding of tryptophan to NCDs strongly influenced the visible emission (around 500 nm) originating from surface states of the dots.
T2  - Colloids and Surfaces B: Biointerfaces
T1  - Hybrid nanostructures of nitrogen-doped carbon dots and aromatic amino acids: Synthesis, interactions at interfaces and optical properties
VL  - 238
SP  - 113878
DO  - 10.1016/j.colsurfb.2024.113878
ER  - 

@article{
author = "Trpkov, Đorđe and Sredojević, Dušan and Pajović, Jelena and Tošić, Dragana and Božanić, Dušan K. and Đoković, Vladimir",
year = "2024",
abstract = "Nitrogen-doped carbon dots (NCD) were synthesized using a simple and fast hydrothermal route, employing citric acid and urea as precursors. The resulting NCDs were non-covalently functionalized (conjugated) with aromatic amino acids, namely phenylalanine (Phe) and tryptophan (Trp). Atomic force microscopy revealed that the NCDs exhibit a disk-like morphology with an average diameter of approximately 60 nm and an average height of about 0.5 nm. Following conjugation, the particle height increased to around 3 nm. UV–vis spectroscopy analysis indicated successful conjugation of the amino acids to the NCD nanostructures. Additionally, DFT numerical calculations based on three differently N-doped clusters were performed to elucidate the nature of the non-covalent interactions between NCDs and the corresponding amino acids. Photoluminescent spectra demonstrated a stable and strong fluorescence signal for both hybrids in the UV region. The most significant changes were observed in the case of Trp-conjugation. In contrast to phenylalanine, the non-covalent bonding of tryptophan to NCDs strongly influenced the visible emission (around 500 nm) originating from surface states of the dots.",
journal = "Colloids and Surfaces B: Biointerfaces",
title = "Hybrid nanostructures of nitrogen-doped carbon dots and aromatic amino acids: Synthesis, interactions at interfaces and optical properties",
volume = "238",
pages = "113878",
doi = "10.1016/j.colsurfb.2024.113878"
}

Trpkov, Đ., Sredojević, D., Pajović, J., Tošić, D., Božanić, D. K.,& Đoković, V.. (2024). Hybrid nanostructures of nitrogen-doped carbon dots and aromatic amino acids: Synthesis, interactions at interfaces and optical properties. in Colloids and Surfaces B: Biointerfaces, 238, 113878.
https://doi.org/10.1016/j.colsurfb.2024.113878

Trpkov Đ, Sredojević D, Pajović J, Tošić D, Božanić DK, Đoković V. Hybrid nanostructures of nitrogen-doped carbon dots and aromatic amino acids: Synthesis, interactions at interfaces and optical properties. in Colloids and Surfaces B: Biointerfaces. 2024;238:113878.
doi:10.1016/j.colsurfb.2024.113878 .

Trpkov, Đorđe, Sredojević, Dušan, Pajović, Jelena, Tošić, Dragana, Božanić, Dušan K., Đoković, Vladimir, "Hybrid nanostructures of nitrogen-doped carbon dots and aromatic amino acids: Synthesis, interactions at interfaces and optical properties" in Colloids and Surfaces B: Biointerfaces, 238 (2024):113878,
https://doi.org/10.1016/j.colsurfb.2024.113878 . .

TY  - JOUR
AU  - Umar, Zafari
AU  - Kurboniyon, Mekhrdod S.
AU  - Khyzhun, Oleg
AU  - Yamamoto, Tomoyuki
AU  - Ma, Chong-Geng
AU  - Brik, Mikhail G.
AU  - Piasecki, Michal
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11826
AB  - We report on the results of the first principles calculations based on density functional theory (DFT) of the electronic structure and mechanical properties of K2LiAlF6, both non-doped and doped with Cr3+ ions. The densities of states of K2LiAlF6 and the K2LiAlF6:Cr3+ phosphor as well as the crystal-field strength 10Dq, the Cr3+ 2E→4A2 emission energy, elastic constants, bulk and shear moduli, sound velocities and Debye temperature as functions of hydrostatic pressure ranging from 0 up to 40 GPa were calculated. The present DFT calculations indicate that, the band gap of non-doped K2LiAlF6 increases quadratically with increasing pressure. Further, the crystal field strength 10Dq and the 2E→4A2 emission energy, the Debye temperature, sound velocities and shear moduli of Cr-doped K2LiAlF6 increase with increasing pressure, while the 2E→4A2 emission energy becomes red-shifted, which indicates potential applicability of the studied system for pressure sensing. Such calculations for the title system were performed for the first time; the obtained results provide a firm basis for a deeper understanding of physical properties of both neat and doped functional materials.
T2  - Journal of Luminescence
T1  - First-principles calculations of the electronic structure and mechanical properties of non-doped and Cr3+-Doped K2LiAlF6 under pressure
VL  - 266
SP  - 120278
DO  - 10.1016/j.jlumin.2023.120278
ER  - 

@article{
author = "Umar, Zafari and Kurboniyon, Mekhrdod S. and Khyzhun, Oleg and Yamamoto, Tomoyuki and Ma, Chong-Geng and Brik, Mikhail G. and Piasecki, Michal",
year = "2024",
abstract = "We report on the results of the first principles calculations based on density functional theory (DFT) of the electronic structure and mechanical properties of K2LiAlF6, both non-doped and doped with Cr3+ ions. The densities of states of K2LiAlF6 and the K2LiAlF6:Cr3+ phosphor as well as the crystal-field strength 10Dq, the Cr3+ 2E→4A2 emission energy, elastic constants, bulk and shear moduli, sound velocities and Debye temperature as functions of hydrostatic pressure ranging from 0 up to 40 GPa were calculated. The present DFT calculations indicate that, the band gap of non-doped K2LiAlF6 increases quadratically with increasing pressure. Further, the crystal field strength 10Dq and the 2E→4A2 emission energy, the Debye temperature, sound velocities and shear moduli of Cr-doped K2LiAlF6 increase with increasing pressure, while the 2E→4A2 emission energy becomes red-shifted, which indicates potential applicability of the studied system for pressure sensing. Such calculations for the title system were performed for the first time; the obtained results provide a firm basis for a deeper understanding of physical properties of both neat and doped functional materials.",
journal = "Journal of Luminescence",
title = "First-principles calculations of the electronic structure and mechanical properties of non-doped and Cr3+-Doped K2LiAlF6 under pressure",
volume = "266",
pages = "120278",
doi = "10.1016/j.jlumin.2023.120278"
}

Umar, Z., Kurboniyon, M. S., Khyzhun, O., Yamamoto, T., Ma, C., Brik, M. G.,& Piasecki, M.. (2024). First-principles calculations of the electronic structure and mechanical properties of non-doped and Cr3+-Doped K2LiAlF6 under pressure. in Journal of Luminescence, 266, 120278.
https://doi.org/10.1016/j.jlumin.2023.120278

Umar Z, Kurboniyon MS, Khyzhun O, Yamamoto T, Ma C, Brik MG, Piasecki M. First-principles calculations of the electronic structure and mechanical properties of non-doped and Cr3+-Doped K2LiAlF6 under pressure. in Journal of Luminescence. 2024;266:120278.
doi:10.1016/j.jlumin.2023.120278 .

Umar, Zafari, Kurboniyon, Mekhrdod S., Khyzhun, Oleg, Yamamoto, Tomoyuki, Ma, Chong-Geng, Brik, Mikhail G., Piasecki, Michal, "First-principles calculations of the electronic structure and mechanical properties of non-doped and Cr3+-Doped K2LiAlF6 under pressure" in Journal of Luminescence, 266 (2024):120278,
https://doi.org/10.1016/j.jlumin.2023.120278 . .

TY  - JOUR
AU  - Novita, Mega
AU  - Chauhan, Alok Singh
AU  - Ujianti, Rizky Muliani Dwi
AU  - Marlina, Dian
AU  - Kusumo, Haryo
AU  - Anwar, Muchamad Taufiq
AU  - Piasecki, Michał
AU  - Brik, Mikhail G.
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12869
AB  - In the pursuit of enhancing red phosphor materials, integrating Deep Learning (DL) and machine Learning (ML) techniques has emerged as a transformative avenue. Challenges persist, necessitating comprehensive exploration and detailed comparative analysis of methods, focusing on predictive accuracy, interpretability, and computational demands. The role of regression models and their coefficients in material property prediction requires in-depth investigation. A systematic approach was employed, leveraging literature reviews and comparative analyses. Relevant articles were meticulously selected, focusing on methodologies and algorithms in predicting material properties. The study aimed to explore the integration of DL and ML in advancing red phosphor materials, evaluating algorithms and seven different regression models. Linear Regression, Robust Regression, and Lasso Regression emerged as top-performing models in predicting red phosphor material properties, specifically the 2E energy of Mn4+ doped crystals, supported by comprehensive coefficient analysis. This research offers valuable insights, informing the selection of models for specific tasks and optimizing the integration of DL and ML techniques in the field of red phosphor materials.
T2  - Journal of Luminescence
T1  - Exploring deep learning and machine learning for novel red phosphor materials
VL  - 269
SP  - 120476
DO  - 10.1016/j.jlumin.2024.120476
ER  - 

@article{
author = "Novita, Mega and Chauhan, Alok Singh and Ujianti, Rizky Muliani Dwi and Marlina, Dian and Kusumo, Haryo and Anwar, Muchamad Taufiq and Piasecki, Michał and Brik, Mikhail G.",
year = "2024",
abstract = "In the pursuit of enhancing red phosphor materials, integrating Deep Learning (DL) and machine Learning (ML) techniques has emerged as a transformative avenue. Challenges persist, necessitating comprehensive exploration and detailed comparative analysis of methods, focusing on predictive accuracy, interpretability, and computational demands. The role of regression models and their coefficients in material property prediction requires in-depth investigation. A systematic approach was employed, leveraging literature reviews and comparative analyses. Relevant articles were meticulously selected, focusing on methodologies and algorithms in predicting material properties. The study aimed to explore the integration of DL and ML in advancing red phosphor materials, evaluating algorithms and seven different regression models. Linear Regression, Robust Regression, and Lasso Regression emerged as top-performing models in predicting red phosphor material properties, specifically the 2E energy of Mn4+ doped crystals, supported by comprehensive coefficient analysis. This research offers valuable insights, informing the selection of models for specific tasks and optimizing the integration of DL and ML techniques in the field of red phosphor materials.",
journal = "Journal of Luminescence",
title = "Exploring deep learning and machine learning for novel red phosphor materials",
volume = "269",
pages = "120476",
doi = "10.1016/j.jlumin.2024.120476"
}

Novita, M., Chauhan, A. S., Ujianti, R. M. D., Marlina, D., Kusumo, H., Anwar, M. T., Piasecki, M.,& Brik, M. G.. (2024). Exploring deep learning and machine learning for novel red phosphor materials. in Journal of Luminescence, 269, 120476.
https://doi.org/10.1016/j.jlumin.2024.120476

Novita M, Chauhan AS, Ujianti RMD, Marlina D, Kusumo H, Anwar MT, Piasecki M, Brik MG. Exploring deep learning and machine learning for novel red phosphor materials. in Journal of Luminescence. 2024;269:120476.
doi:10.1016/j.jlumin.2024.120476 .

Novita, Mega, Chauhan, Alok Singh, Ujianti, Rizky Muliani Dwi, Marlina, Dian, Kusumo, Haryo, Anwar, Muchamad Taufiq, Piasecki, Michał, Brik, Mikhail G., "Exploring deep learning and machine learning for novel red phosphor materials" in Journal of Luminescence, 269 (2024):120476,
https://doi.org/10.1016/j.jlumin.2024.120476 . .

TY  - JOUR
AU  - Antić, Željka
AU  - Racu, Andrei V.
AU  - Medić, Mina
AU  - Alodhayb, Abdullah N.
AU  - Kuzman, Sanja
AU  - Brik, Mikhail G.
AU  - Dramićanin, Miroslav
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13020
AB  - La(PO3)3 activated with different concentrations of Pr3+ was synthesized by a solid-state process. The obtained powder was composed of chunks of several microns in size, typical for this type of synthesis. X-ray diffraction confirmed an orthorhombic crystal structure with the C2221 space group. The electronic band structures and density of states of La(PO3)3 and La(PO3)3:Pr3+ are calculated and presented. The visible and near-infrared emissions from Pr3+ [Xe]4f2 [Xe]4f2 electronic transitions were detected under 442 nm excitation. The red emission from the 1D2 state dominates visible spectra while emissions from the 3P0,1,2 states have smaller intensities. The 1D2 emission centered around 1020 nm is detected in the near-infrared spectral range. Intensities of 3P0 emissions increased with an increase in Pr concentration, while 1D2 emissions decreased in intensity. We found that the main process responsible for the 1D2 state decay is the Pr(1D2) + Pr(3H4) Pr(1G4) + Pr(3F3,4) cross-relaxation between two Pr ions of electric dipole-dipole character. This finding is supported by 1D2 emission decay measurements, which revealed a reduction of average decay constants from 242 μs for a 0.5 mol% doped sample to 11 μs for a 10 mol% doped sample and an increasingly stronger non-exponential behavior of emission decay patterns with an increase in Pr3+ concentration.
T2  - Optical Materials
T1  - Concentration and temperature dependence of Pr3+ f-f emissions in La(PO3)3
VL  - 150
SP  - 115226
DO  - 10.1016/j.optmat.2024.115226
ER  - 

@article{
author = "Antić, Željka and Racu, Andrei V. and Medić, Mina and Alodhayb, Abdullah N. and Kuzman, Sanja and Brik, Mikhail G. and Dramićanin, Miroslav",
year = "2024",
abstract = "La(PO3)3 activated with different concentrations of Pr3+ was synthesized by a solid-state process. The obtained powder was composed of chunks of several microns in size, typical for this type of synthesis. X-ray diffraction confirmed an orthorhombic crystal structure with the C2221 space group. The electronic band structures and density of states of La(PO3)3 and La(PO3)3:Pr3+ are calculated and presented. The visible and near-infrared emissions from Pr3+ [Xe]4f2 [Xe]4f2 electronic transitions were detected under 442 nm excitation. The red emission from the 1D2 state dominates visible spectra while emissions from the 3P0,1,2 states have smaller intensities. The 1D2 emission centered around 1020 nm is detected in the near-infrared spectral range. Intensities of 3P0 emissions increased with an increase in Pr concentration, while 1D2 emissions decreased in intensity. We found that the main process responsible for the 1D2 state decay is the Pr(1D2) + Pr(3H4) Pr(1G4) + Pr(3F3,4) cross-relaxation between two Pr ions of electric dipole-dipole character. This finding is supported by 1D2 emission decay measurements, which revealed a reduction of average decay constants from 242 μs for a 0.5 mol% doped sample to 11 μs for a 10 mol% doped sample and an increasingly stronger non-exponential behavior of emission decay patterns with an increase in Pr3+ concentration.",
journal = "Optical Materials",
title = "Concentration and temperature dependence of Pr3+ f-f emissions in La(PO3)3",
volume = "150",
pages = "115226",
doi = "10.1016/j.optmat.2024.115226"
}

Antić, Ž., Racu, A. V., Medić, M., Alodhayb, A. N., Kuzman, S., Brik, M. G.,& Dramićanin, M.. (2024). Concentration and temperature dependence of Pr3+ f-f emissions in La(PO3)3. in Optical Materials, 150, 115226.
https://doi.org/10.1016/j.optmat.2024.115226

Antić Ž, Racu AV, Medić M, Alodhayb AN, Kuzman S, Brik MG, Dramićanin M. Concentration and temperature dependence of Pr3+ f-f emissions in La(PO3)3. in Optical Materials. 2024;150:115226.
doi:10.1016/j.optmat.2024.115226 .

Antić, Željka, Racu, Andrei V., Medić, Mina, Alodhayb, Abdullah N., Kuzman, Sanja, Brik, Mikhail G., Dramićanin, Miroslav, "Concentration and temperature dependence of Pr3+ f-f emissions in La(PO3)3" in Optical Materials, 150 (2024):115226,
https://doi.org/10.1016/j.optmat.2024.115226 . .

TY  - JOUR
AU  - Radenković, Marina
AU  - Petrović, Jelena
AU  - Pap, Sabolc
AU  - Kalijadis, Ana
AU  - Momčilović, Miloš
AU  - Krstulović, Nikša
AU  - Živković, Sanja
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12206
AB  - Toxic elements, lead, and copper are often found in wastewater discharged from industries such as mining. The discharge of untreated effluent poses severe environmental challenges and sorption methods using agricultural waste materials are proposed as an efficient and cost-effective solution. For this research, activated sunflower material (ASM) was prepared from abundantly available agricultural sunflower waste residues and utilised to remove Pb2+ and Cu2+ ions from an aqueous medium. To begin, we examine variables that may have an impact on the adsorption process, such as pH, contact time, adsorbent dose, and initial concentration using Box-Behnken Design (BBD) to find optimal conditions. Maximum removal efficiency was found at a pH of 5, contact time of 180 min, and initial concentration of 50 mg/L for Pb2+ and 150 mg/L for Cu2+. Additionally, adsorbent dose differed by element, for Cu2+ it was 200 mg, whilst for Pb2+ it was 124 mg. Features of activated carbon such as morphology, elemental composition, textural properties, and surface functionalities were characterised using SEM-EDS, BET, FTIR, and XPS. The adsorption equilibrium data were analysed by Langmuir, Freundlich, and Dubinin-Radushkevich isotherm models. It was found that the obtained results for Pb2+ adsorption were better described with the Freundlich isotherm model. Maximum adsorption capacities for Pb2+ and Cu2+ were 91.8 mg/g and 20.5 mg/g, respectively. Furthermore, kinetic studies confirmed that the adsorption process followed a pseudo-first-order kinetic model for Pb2+, but for Cu2+ all applied kinetic models fitted experimental data with the same values of the correlation coefficient (R2 = 0.99). After comprehensive analysis using the methods mentioned above, ASM was tested for the removal of Cu2+ from mining wastewater sample, and the obtained removal efficiency was 98.6% ± 2.0%. The results of desorption experiments conducted, confirm that ASM has good potential to be reused for the purpose of removing Cu2+ from wastewater.
T2  - Chemosphere
T1  - Waste biomass derived highly-porous carbon material for toxic metal removal: Optimisation, mechanisms and environmental implications
VL  - 347
SP  - 140684
DO  - 10.1016/j.chemosphere.2023.140684
ER  - 

@article{
author = "Radenković, Marina and Petrović, Jelena and Pap, Sabolc and Kalijadis, Ana and Momčilović, Miloš and Krstulović, Nikša and Živković, Sanja",
year = "2024",
abstract = "Toxic elements, lead, and copper are often found in wastewater discharged from industries such as mining. The discharge of untreated effluent poses severe environmental challenges and sorption methods using agricultural waste materials are proposed as an efficient and cost-effective solution. For this research, activated sunflower material (ASM) was prepared from abundantly available agricultural sunflower waste residues and utilised to remove Pb2+ and Cu2+ ions from an aqueous medium. To begin, we examine variables that may have an impact on the adsorption process, such as pH, contact time, adsorbent dose, and initial concentration using Box-Behnken Design (BBD) to find optimal conditions. Maximum removal efficiency was found at a pH of 5, contact time of 180 min, and initial concentration of 50 mg/L for Pb2+ and 150 mg/L for Cu2+. Additionally, adsorbent dose differed by element, for Cu2+ it was 200 mg, whilst for Pb2+ it was 124 mg. Features of activated carbon such as morphology, elemental composition, textural properties, and surface functionalities were characterised using SEM-EDS, BET, FTIR, and XPS. The adsorption equilibrium data were analysed by Langmuir, Freundlich, and Dubinin-Radushkevich isotherm models. It was found that the obtained results for Pb2+ adsorption were better described with the Freundlich isotherm model. Maximum adsorption capacities for Pb2+ and Cu2+ were 91.8 mg/g and 20.5 mg/g, respectively. Furthermore, kinetic studies confirmed that the adsorption process followed a pseudo-first-order kinetic model for Pb2+, but for Cu2+ all applied kinetic models fitted experimental data with the same values of the correlation coefficient (R2 = 0.99). After comprehensive analysis using the methods mentioned above, ASM was tested for the removal of Cu2+ from mining wastewater sample, and the obtained removal efficiency was 98.6% ± 2.0%. The results of desorption experiments conducted, confirm that ASM has good potential to be reused for the purpose of removing Cu2+ from wastewater.",
journal = "Chemosphere",
title = "Waste biomass derived highly-porous carbon material for toxic metal removal: Optimisation, mechanisms and environmental implications",
volume = "347",
pages = "140684",
doi = "10.1016/j.chemosphere.2023.140684"
}

Radenković, M., Petrović, J., Pap, S., Kalijadis, A., Momčilović, M., Krstulović, N.,& Živković, S.. (2024). Waste biomass derived highly-porous carbon material for toxic metal removal: Optimisation, mechanisms and environmental implications. in Chemosphere, 347, 140684.
https://doi.org/10.1016/j.chemosphere.2023.140684

Radenković M, Petrović J, Pap S, Kalijadis A, Momčilović M, Krstulović N, Živković S. Waste biomass derived highly-porous carbon material for toxic metal removal: Optimisation, mechanisms and environmental implications. in Chemosphere. 2024;347:140684.
doi:10.1016/j.chemosphere.2023.140684 .

Radenković, Marina, Petrović, Jelena, Pap, Sabolc, Kalijadis, Ana, Momčilović, Miloš, Krstulović, Nikša, Živković, Sanja, "Waste biomass derived highly-porous carbon material for toxic metal removal: Optimisation, mechanisms and environmental implications" in Chemosphere, 347 (2024):140684,
https://doi.org/10.1016/j.chemosphere.2023.140684 . .

TY  - CONF
AU  - Zagorac, Jelena
AU  - Fonović, Matej
AU  - Đukić, Miloš B.
AU  - Butulija, Svetlana
AU  - Prikhna, Tatiana
AU  - Zagorac, Dejan
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12918
AB  - In the last few decades, aluminum nitride (AlN) and boron nitride (BN) have become a point of interest to many researchers and scholars from different disciplines around the world. Due to its attractive properties, AlN has been successfully used in various applications, starting from advanced ceramics materials, additive for grain size control in micro-alloyed steels, through optoelectronics and microelectronics, and finally to semiconductors. On the other hand, BN has broad applications in various fields, such as 2D material, lubricant material, superhard and semiconductor material as well as many others. This study focuses on the mixed AlN/BN compounds, in particular, boron-rich AlN and aluminum-rich BN systems, thus having the entire range of AlN/BN compositions. The special focus was on structural properties investigated using the hybrid B3LYP method. Important structural properties were investigated to offer novel technological and industrial applications of mixed AlN/BN materials.
C3  - Procedia Structural Integrity
T1  - Structural properties of full-scope AlN/BN compounds investigated using ab initio calculations
VL  - 54
SP  - 453
EP  - 459
DO  - 10.1016/j.prostr.2024.01.106
ER  - 

@conference{
author = "Zagorac, Jelena and Fonović, Matej and Đukić, Miloš B. and Butulija, Svetlana and Prikhna, Tatiana and Zagorac, Dejan",
year = "2024",
abstract = "In the last few decades, aluminum nitride (AlN) and boron nitride (BN) have become a point of interest to many researchers and scholars from different disciplines around the world. Due to its attractive properties, AlN has been successfully used in various applications, starting from advanced ceramics materials, additive for grain size control in micro-alloyed steels, through optoelectronics and microelectronics, and finally to semiconductors. On the other hand, BN has broad applications in various fields, such as 2D material, lubricant material, superhard and semiconductor material as well as many others. This study focuses on the mixed AlN/BN compounds, in particular, boron-rich AlN and aluminum-rich BN systems, thus having the entire range of AlN/BN compositions. The special focus was on structural properties investigated using the hybrid B3LYP method. Important structural properties were investigated to offer novel technological and industrial applications of mixed AlN/BN materials.",
journal = "Procedia Structural Integrity",
title = "Structural properties of full-scope AlN/BN compounds investigated using ab initio calculations",
volume = "54",
pages = "453-459",
doi = "10.1016/j.prostr.2024.01.106"
}

Zagorac, J., Fonović, M., Đukić, M. B., Butulija, S., Prikhna, T.,& Zagorac, D.. (2024). Structural properties of full-scope AlN/BN compounds investigated using ab initio calculations. in Procedia Structural Integrity, 54, 453-459.
https://doi.org/10.1016/j.prostr.2024.01.106

Zagorac J, Fonović M, Đukić MB, Butulija S, Prikhna T, Zagorac D. Structural properties of full-scope AlN/BN compounds investigated using ab initio calculations. in Procedia Structural Integrity. 2024;54:453-459.
doi:10.1016/j.prostr.2024.01.106 .

Zagorac, Jelena, Fonović, Matej, Đukić, Miloš B., Butulija, Svetlana, Prikhna, Tatiana, Zagorac, Dejan, "Structural properties of full-scope AlN/BN compounds investigated using ab initio calculations" in Procedia Structural Integrity, 54 (2024):453-459,
https://doi.org/10.1016/j.prostr.2024.01.106 . .

TY  - JOUR
AU  - Zmejkoski, Danica
AU  - Zdravković, Nemanja M.
AU  - Budimir Filimonović, Milica D.
AU  - Pavlović, Vladimir B.
AU  - Butulija, Svetlana
AU  - Milivojević, Dušan
AU  - Marković, Zoran M.
AU  - Todorović Marković, Biljana M.
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12990
AB  - In this study, nanochitosan dots (ChiDs) were synthesized using gamma rays and encapsulated in bacterial cellulose (BC) polymer matrix for antibiofilm potential in photodynamic therapy. The composites were analyzed for structural changes using SEM, AFM, FTIR, XRD, EPR, and porosity measurements. Additionally, ChiD release was assessed. The results showed that the chemical composition remained unaltered, but ChiD agglomerates embedded in BC changed shape (1.5–2.5 µm). Bacterial cellulose fibers became deformed and interconnected, with increased surface roughness and porosity and decreased crystallinity. No singlet oxygen formation was observed, and the total amount of released ChiD was up to 16.10%. Antibiofilm activity was higher under green light, with reductions ranging from 48 to 57% under blue light and 78 to 85% under green light. Methicillin-resistant Staphylococcus aureus was the most sensitive strain. The new photoactive composite hydrogels show promising potential for combating biofilm-related infections.
T2  - Journal of Functional Biomaterials
T1  - Reduction in Pathogenic Biofilms by the Photoactive Composite of Bacterial Cellulose and Nanochitosan Dots under Blue and Green Light
VL  - 15
IS  - 3
SP  - 72
DO  - 10.3390/jfb15030072
ER  - 

@article{
author = "Zmejkoski, Danica and Zdravković, Nemanja M. and Budimir Filimonović, Milica D. and Pavlović, Vladimir B. and Butulija, Svetlana and Milivojević, Dušan and Marković, Zoran M. and Todorović Marković, Biljana M.",
year = "2024",
abstract = "In this study, nanochitosan dots (ChiDs) were synthesized using gamma rays and encapsulated in bacterial cellulose (BC) polymer matrix for antibiofilm potential in photodynamic therapy. The composites were analyzed for structural changes using SEM, AFM, FTIR, XRD, EPR, and porosity measurements. Additionally, ChiD release was assessed. The results showed that the chemical composition remained unaltered, but ChiD agglomerates embedded in BC changed shape (1.5–2.5 µm). Bacterial cellulose fibers became deformed and interconnected, with increased surface roughness and porosity and decreased crystallinity. No singlet oxygen formation was observed, and the total amount of released ChiD was up to 16.10%. Antibiofilm activity was higher under green light, with reductions ranging from 48 to 57% under blue light and 78 to 85% under green light. Methicillin-resistant Staphylococcus aureus was the most sensitive strain. The new photoactive composite hydrogels show promising potential for combating biofilm-related infections.",
journal = "Journal of Functional Biomaterials",
title = "Reduction in Pathogenic Biofilms by the Photoactive Composite of Bacterial Cellulose and Nanochitosan Dots under Blue and Green Light",
volume = "15",
number = "3",
pages = "72",
doi = "10.3390/jfb15030072"
}

Zmejkoski, D., Zdravković, N. M., Budimir Filimonović, M. D., Pavlović, V. B., Butulija, S., Milivojević, D., Marković, Z. M.,& Todorović Marković, B. M.. (2024). Reduction in Pathogenic Biofilms by the Photoactive Composite of Bacterial Cellulose and Nanochitosan Dots under Blue and Green Light. in Journal of Functional Biomaterials, 15(3), 72.
https://doi.org/10.3390/jfb15030072

Zmejkoski D, Zdravković NM, Budimir Filimonović MD, Pavlović VB, Butulija S, Milivojević D, Marković ZM, Todorović Marković BM. Reduction in Pathogenic Biofilms by the Photoactive Composite of Bacterial Cellulose and Nanochitosan Dots under Blue and Green Light. in Journal of Functional Biomaterials. 2024;15(3):72.
doi:10.3390/jfb15030072 .

Zmejkoski, Danica, Zdravković, Nemanja M., Budimir Filimonović, Milica D., Pavlović, Vladimir B., Butulija, Svetlana, Milivojević, Dušan, Marković, Zoran M., Todorović Marković, Biljana M., "Reduction in Pathogenic Biofilms by the Photoactive Composite of Bacterial Cellulose and Nanochitosan Dots under Blue and Green Light" in Journal of Functional Biomaterials, 15, no. 3 (2024):72,
https://doi.org/10.3390/jfb15030072 . .

TY  - JOUR
AU  - Zagorac, Jelena
AU  - Schön, Johann Christian
AU  - Matović, Branko
AU  - Butulija, Svetlana
AU  - Zagorac, Dejan
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13134
AB  - Hafnium carbide (HfC) is a refractory compound known for its exceptional mechanical, thermal, and electrical properties. This compound has gained significant attention in materials science and engineering due to its high melting point, extreme hardness, and excellent thermal stability. This study presents crystal structure prediction via energy landscape explorations of pristine hafnium carbide supplemented by data mining. Apart from the well-known equilibrium rock salt phase, we predict eight new polymorphs of HfC. The predicted HfC phases appear in the energy landscape with known structure types such as the WC type, NiAs type, 5-5 type, sphalerite (ZnS) type, TlI type, and CsCl type; in addition, we predict two new structure types denoted as ortho_HfC and HfC_polytype, respectively. Moreover, we have investigated the structural characteristics and mechanical properties of hafnium carbide at the DFT level of computation, which opens diverse applications in various technological domains.
T2  - Crystals
T1  - Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical Properties
VL  - 14
IS  - 4
SP  - 340
DO  - 10.3390/cryst14040340
ER  - 

@article{
author = "Zagorac, Jelena and Schön, Johann Christian and Matović, Branko and Butulija, Svetlana and Zagorac, Dejan",
year = "2024",
abstract = "Hafnium carbide (HfC) is a refractory compound known for its exceptional mechanical, thermal, and electrical properties. This compound has gained significant attention in materials science and engineering due to its high melting point, extreme hardness, and excellent thermal stability. This study presents crystal structure prediction via energy landscape explorations of pristine hafnium carbide supplemented by data mining. Apart from the well-known equilibrium rock salt phase, we predict eight new polymorphs of HfC. The predicted HfC phases appear in the energy landscape with known structure types such as the WC type, NiAs type, 5-5 type, sphalerite (ZnS) type, TlI type, and CsCl type; in addition, we predict two new structure types denoted as ortho_HfC and HfC_polytype, respectively. Moreover, we have investigated the structural characteristics and mechanical properties of hafnium carbide at the DFT level of computation, which opens diverse applications in various technological domains.",
journal = "Crystals",
title = "Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical Properties",
volume = "14",
number = "4",
pages = "340",
doi = "10.3390/cryst14040340"
}

Zagorac, J., Schön, J. C., Matović, B., Butulija, S.,& Zagorac, D.. (2024). Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical Properties. in Crystals, 14(4), 340.
https://doi.org/10.3390/cryst14040340

Zagorac J, Schön JC, Matović B, Butulija S, Zagorac D. Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical Properties. in Crystals. 2024;14(4):340.
doi:10.3390/cryst14040340 .

Zagorac, Jelena, Schön, Johann Christian, Matović, Branko, Butulija, Svetlana, Zagorac, Dejan, "Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical Properties" in Crystals, 14, no. 4 (2024):340,
https://doi.org/10.3390/cryst14040340 . .

TY  - JOUR
AU  - Zagorac, Dejan
AU  - Buyer, Constantin
AU  - Zagorac, Jelena
AU  - Škundrić, Tamara
AU  - Schön, Christian J.
AU  - Schleid, Thomas
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12879
AB  - LaFSe and LaFS materials have shown great potential for various optoelectronic applications, such as photovoltaics, light-emitting diodes, and photodetectors. Mixed LaFSe/LaFS compounds have been synthesized through high-temperature experiments. The introduction of sulfur into LaFSe causes distortion in the crystal lattice, leading to changes in the unit cell. A new algorithm is presented that keeps the symmetries of the mixed LaFSe/LaFS phases, and it is combined with ab initio structure optimization in order to efficiently generate and compute models for solid solution-type compounds. There is good agreement between experimental and theoretical data, and additional predicted structures under extreme conditions in various lanthanoid fluoride selenides/sulfides have been introduced. The substitution of selenium for sulfur within the LaFSe lattice can result in some unusual electronic properties, including changes in the size of the band gap, the character of the gap, and the electronic structure of the material.
T2  - Crystal Growth & Design
T1  - Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe
VL  - 24
IS  - 4
SP  - 1648
EP  - 1657
DO  - 10.1021/acs.cgd.3c01291
ER  - 

@article{
author = "Zagorac, Dejan and Buyer, Constantin and Zagorac, Jelena and Škundrić, Tamara and Schön, Christian J. and Schleid, Thomas",
year = "2024",
abstract = "LaFSe and LaFS materials have shown great potential for various optoelectronic applications, such as photovoltaics, light-emitting diodes, and photodetectors. Mixed LaFSe/LaFS compounds have been synthesized through high-temperature experiments. The introduction of sulfur into LaFSe causes distortion in the crystal lattice, leading to changes in the unit cell. A new algorithm is presented that keeps the symmetries of the mixed LaFSe/LaFS phases, and it is combined with ab initio structure optimization in order to efficiently generate and compute models for solid solution-type compounds. There is good agreement between experimental and theoretical data, and additional predicted structures under extreme conditions in various lanthanoid fluoride selenides/sulfides have been introduced. The substitution of selenium for sulfur within the LaFSe lattice can result in some unusual electronic properties, including changes in the size of the band gap, the character of the gap, and the electronic structure of the material.",
journal = "Crystal Growth & Design",
title = "Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe",
volume = "24",
number = "4",
pages = "1648-1657",
doi = "10.1021/acs.cgd.3c01291"
}

Zagorac, D., Buyer, C., Zagorac, J., Škundrić, T., Schön, C. J.,& Schleid, T.. (2024). Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe. in Crystal Growth & Design, 24(4), 1648-1657.
https://doi.org/10.1021/acs.cgd.3c01291

Zagorac D, Buyer C, Zagorac J, Škundrić T, Schön CJ, Schleid T. Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe. in Crystal Growth & Design. 2024;24(4):1648-1657.
doi:10.1021/acs.cgd.3c01291 .

Zagorac, Dejan, Buyer, Constantin, Zagorac, Jelena, Škundrić, Tamara, Schön, Christian J., Schleid, Thomas, "Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe" in Crystal Growth & Design, 24, no. 4 (2024):1648-1657,
https://doi.org/10.1021/acs.cgd.3c01291 . .

TY  - CONF
AU  - Zagorac, Dejan
AU  - Zagorac, Jelena
AU  - Đukić, Miloš B.
AU  - Bal, Burak
AU  - Schön, Christian J.
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12933
AB  - Since their discovery, iron and hydrogen have been two of the most interesting elements in scientific research, with a variety of known and postulated compounds and applications. Of special interest in materials engineering is the stability of such materials, where hydrogen embrittlement has gained particular importance in recent years. Here, we present the results for the Fe-H system. In the past, most of the work on iron hydrides has been focused on hydrogen-rich compounds since they have a variety of interesting properties at extreme conditions (e.g. superconductivity). However, we present the first atomistic study of an iron-rich Fe4H compound which has been predicted using a combination of data mining and quantum mechanical calculations. Novel structures have been discovered in the Fe4H chemical system for possible experimental synthesis at the atomistic level.
C3  - Procedia Structural Integrity
T1  - Data-driven discovery and DFT modeling of Fe4H on the atomistic level
VL  - 54
SP  - 446
EP  - 452
DO  - 10.1016/j.prostr.2024.01.105
ER  - 

@conference{
author = "Zagorac, Dejan and Zagorac, Jelena and Đukić, Miloš B. and Bal, Burak and Schön, Christian J.",
year = "2024",
abstract = "Since their discovery, iron and hydrogen have been two of the most interesting elements in scientific research, with a variety of known and postulated compounds and applications. Of special interest in materials engineering is the stability of such materials, where hydrogen embrittlement has gained particular importance in recent years. Here, we present the results for the Fe-H system. In the past, most of the work on iron hydrides has been focused on hydrogen-rich compounds since they have a variety of interesting properties at extreme conditions (e.g. superconductivity). However, we present the first atomistic study of an iron-rich Fe4H compound which has been predicted using a combination of data mining and quantum mechanical calculations. Novel structures have been discovered in the Fe4H chemical system for possible experimental synthesis at the atomistic level.",
journal = "Procedia Structural Integrity",
title = "Data-driven discovery and DFT modeling of Fe4H on the atomistic level",
volume = "54",
pages = "446-452",
doi = "10.1016/j.prostr.2024.01.105"
}

Zagorac, D., Zagorac, J., Đukić, M. B., Bal, B.,& Schön, C. J.. (2024). Data-driven discovery and DFT modeling of Fe4H on the atomistic level. in Procedia Structural Integrity, 54, 446-452.
https://doi.org/10.1016/j.prostr.2024.01.105

Zagorac D, Zagorac J, Đukić MB, Bal B, Schön CJ. Data-driven discovery and DFT modeling of Fe4H on the atomistic level. in Procedia Structural Integrity. 2024;54:446-452.
doi:10.1016/j.prostr.2024.01.105 .

Zagorac, Dejan, Zagorac, Jelena, Đukić, Miloš B., Bal, Burak, Schön, Christian J., "Data-driven discovery and DFT modeling of Fe4H on the atomistic level" in Procedia Structural Integrity, 54 (2024):446-452,
https://doi.org/10.1016/j.prostr.2024.01.105 . .