TY  - JOUR
AU  - Nikšić, Valentina
AU  - Malček Šimunková, Miriama
AU  - Dyrčíková, Zuzana
AU  - Dvoranová, Dana
AU  - Brezová, Vlasta
AU  - Sredojević, Dušan
AU  - Nedeljković, Jovan
AU  - Lazić, Vesna
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13228
AB  - The TiO2-based interfacial charge transfer (ICT) complex with taxifolin (dihydroquercetin), a polyphenol with pronounced antioxidant ability, displays light absorption in the visible spectral range. The extent of the red absorption shift, obtained using the density functional theory (DFT) calculations on a cluster model that mimics the ICT complex, is in excellent agreement with spectroscopic measurements. The reactive paramagnetic species generated in the dispersed pristine and surface-modified TiO2 powders with taxifolin upon excitation with ultraviolet and visible light were identified by indirect electron paramagnetic resonance (EPR) spectroscopy techniques. The spin trapping and spin scavenging revealed the differences between the behavior of the pristine and surface-modified TiO2 powders with taxifolin before and upon excitation. On one side, the TiO2-based ICT complex with taxifolin efficiently scavenges reactive oxygen species by the taxifolin’s hydroxyl groups and, on the other side, the promotion of electrons from the ground state of taxifolin to the conduction band of TiO2 takes place under visible light excitation.
T2  - Optical Materials
T1  - Photoinduced reactive species in interfacial charge transfer complex between TiO2 and taxifolin: DFT and EPR study
VL  - 152
SP  - 115454
DO  - 10.1016/j.optmat.2024.115454
ER  - 

@article{
author = "Nikšić, Valentina and Malček Šimunková, Miriama and Dyrčíková, Zuzana and Dvoranová, Dana and Brezová, Vlasta and Sredojević, Dušan and Nedeljković, Jovan and Lazić, Vesna",
year = "2024",
abstract = "The TiO2-based interfacial charge transfer (ICT) complex with taxifolin (dihydroquercetin), a polyphenol with pronounced antioxidant ability, displays light absorption in the visible spectral range. The extent of the red absorption shift, obtained using the density functional theory (DFT) calculations on a cluster model that mimics the ICT complex, is in excellent agreement with spectroscopic measurements. The reactive paramagnetic species generated in the dispersed pristine and surface-modified TiO2 powders with taxifolin upon excitation with ultraviolet and visible light were identified by indirect electron paramagnetic resonance (EPR) spectroscopy techniques. The spin trapping and spin scavenging revealed the differences between the behavior of the pristine and surface-modified TiO2 powders with taxifolin before and upon excitation. On one side, the TiO2-based ICT complex with taxifolin efficiently scavenges reactive oxygen species by the taxifolin’s hydroxyl groups and, on the other side, the promotion of electrons from the ground state of taxifolin to the conduction band of TiO2 takes place under visible light excitation.",
journal = "Optical Materials",
title = "Photoinduced reactive species in interfacial charge transfer complex between TiO2 and taxifolin: DFT and EPR study",
volume = "152",
pages = "115454",
doi = "10.1016/j.optmat.2024.115454"
}

Nikšić, V., Malček Šimunková, M., Dyrčíková, Z., Dvoranová, D., Brezová, V., Sredojević, D., Nedeljković, J.,& Lazić, V.. (2024). Photoinduced reactive species in interfacial charge transfer complex between TiO2 and taxifolin: DFT and EPR study. in Optical Materials, 152, 115454.
https://doi.org/10.1016/j.optmat.2024.115454

Nikšić V, Malček Šimunková M, Dyrčíková Z, Dvoranová D, Brezová V, Sredojević D, Nedeljković J, Lazić V. Photoinduced reactive species in interfacial charge transfer complex between TiO2 and taxifolin: DFT and EPR study. in Optical Materials. 2024;152:115454.
doi:10.1016/j.optmat.2024.115454 .

Nikšić, Valentina, Malček Šimunková, Miriama, Dyrčíková, Zuzana, Dvoranová, Dana, Brezová, Vlasta, Sredojević, Dušan, Nedeljković, Jovan, Lazić, Vesna, "Photoinduced reactive species in interfacial charge transfer complex between TiO2 and taxifolin: DFT and EPR study" in Optical Materials, 152 (2024):115454,
https://doi.org/10.1016/j.optmat.2024.115454 . .

TY  - CONF
AU  - Dukić, Miljana
AU  - Nikšić, Valentina
AU  - Sredojević, Dušan
AU  - Lazić, Vesna
AU  - Nedeljković, Jovan
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13037
AB  - Cink oksid (ZnO) je poluprovodni material sa velikim energetskim procepom, sa najčešćom primenom u fotokatalizi. Površinska modifikacija nanočestica ZnO ligandima salicilatnog tipa (salicilna kiselina i 5-aminosalicilna kiselina) kao i ligandima kateholatnog tipa (katehol, 3,4-dihidroksibenzoeva kiselina i kafeinska kiselina) dovodi do pomeranja apsorpcije ka vidljivom delu spectra usled formiranja kompleksa sa prenosom naelektrisanja (ICT). Pripremljeni uzorci su okarakterisani infracrvenom spektroskopijom (FTIR) koja je korišćena za identifikaciju načina vezivanja između liganada i ZnO. Proračuni teorije funkcionalne gustine (DFT) sa pravilno dizajniranim klasterima, izvedeni su za procenu usklađenosti energetskih nivoa različitih neorganskih/organskih hibrida. Utvrđena je značajna usaglašenost između izračunatih i eksperimentalnih vrednosti za FTIR i refleksione spektre.
AB  - Zinc oxide (ZnO) is a wide bandgap ceramic material with various potential applications like photocatalysis. Surface modification of ZnO nano-powder with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4dihydroxybenzoic acid, and caffeic acid), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. The prepared samples were characterized by Fourier-transform infrared spectroscopy (FTIR), used to identify the binding mode between ligands and the surface of ZnO. The density functional theory (DFT) calculations with properly designed model systems, were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data for FTIR and reflectance spectra was found.
PB  - Belgrade : Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings
T1  - Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO
T1  - Synthesis and characterization of hybrid nanomaterials based on ZnO
SP  - 140
EP  - 140
UR  - https://hdl.handle.net/21.15107/rcub_vinar_13037
ER  - 

@conference{
author = "Dukić, Miljana and Nikšić, Valentina and Sredojević, Dušan and Lazić, Vesna and Nedeljković, Jovan",
year = "2023",
abstract = "Cink oksid (ZnO) je poluprovodni material sa velikim energetskim procepom, sa najčešćom primenom u fotokatalizi. Površinska modifikacija nanočestica ZnO ligandima salicilatnog tipa (salicilna kiselina i 5-aminosalicilna kiselina) kao i ligandima kateholatnog tipa (katehol, 3,4-dihidroksibenzoeva kiselina i kafeinska kiselina) dovodi do pomeranja apsorpcije ka vidljivom delu spectra usled formiranja kompleksa sa prenosom naelektrisanja (ICT). Pripremljeni uzorci su okarakterisani infracrvenom spektroskopijom (FTIR) koja je korišćena za identifikaciju načina vezivanja između liganada i ZnO. Proračuni teorije funkcionalne gustine (DFT) sa pravilno dizajniranim klasterima, izvedeni su za procenu usklađenosti energetskih nivoa različitih neorganskih/organskih hibrida. Utvrđena je značajna usaglašenost između izračunatih i eksperimentalnih vrednosti za FTIR i refleksione spektre., Zinc oxide (ZnO) is a wide bandgap ceramic material with various potential applications like photocatalysis. Surface modification of ZnO nano-powder with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4dihydroxybenzoic acid, and caffeic acid), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. The prepared samples were characterized by Fourier-transform infrared spectroscopy (FTIR), used to identify the binding mode between ligands and the surface of ZnO. The density functional theory (DFT) calculations with properly designed model systems, were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data for FTIR and reflectance spectra was found.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings",
title = "Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO, Synthesis and characterization of hybrid nanomaterials based on ZnO",
pages = "140-140",
url = "https://hdl.handle.net/21.15107/rcub_vinar_13037"
}

Dukić, M., Nikšić, V., Sredojević, D., Lazić, V.,& Nedeljković, J.. (2023). Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO. in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings
Belgrade : Serbian Chemical Society., 140-140.
https://hdl.handle.net/21.15107/rcub_vinar_13037

Dukić M, Nikšić V, Sredojević D, Lazić V, Nedeljković J. Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO. in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings. 2023;:140-140.
https://hdl.handle.net/21.15107/rcub_vinar_13037 .

Dukić, Miljana, Nikšić, Valentina, Sredojević, Dušan, Lazić, Vesna, Nedeljković, Jovan, "Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO" in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings (2023):140-140,
https://hdl.handle.net/21.15107/rcub_vinar_13037 .

TY  - CONF
AU  - Nikšić, Valentina
AU  - Dukić, Miljana
AU  - Pirković, Andrea
AU  - Lazić, Vesna
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13039
AB  - Cilj ovog rada je modifikacija površine nanočestica TiO2 bioaktivnim ligandima, kao što je dihidrokvercetin (DHQ), formiranjem interfacijalnog kompleksa sa prenosom naelektrisanja, kako bi se postigla njegova aktivacija pod vidljivom svetlošću. Neorganskoorganski hibridni nanokompozit TiO2 /DHQ okarakterisan je infracrvenom (FTIR) i refleksionom spektroskopijom. FTIR spektri su identifikovali C=O grupe flavonoida, O-H, C-O i C-O-C grupe fenola, potvrđujući prisustvo liganada na površini nanočestica TiO2 . Kubelka-Munk transformacijom spektara difuzione refleksije vidi se pomeraj ekscitacije /DHQ prema vidljivom delu spektra. Ispitivanje citotoksičnosti MTT testom urađeno je na zdravim ljudskim MRC-5 ćelijama, kao i na ljudskim HeLa ćelijama raka grlića materice. Takođe, H2DCFDA testom ispitan je efekat TiO2 /DHQ na proizvodnju reaktivnih vrsta kiseonika u MRC-5 ćelijama.
AB  - This study aims to modify the surface of TiO2 nanoparticles with bioactive ligands, forming an interfacial charge transfer complex to achieve its activation under visible light. Dihydroquercetin (DHQ) is a catechol-type ligand with pronounced antioxidant and valuable biological performance. The inorganic-organic hybrid nanocomposite TiO2 /DHQ was characterized by Fourier transform infrared (FTIR) and Reflectance spectroscopy. FTIR spectra identified C=O stretching in flavones, O-H, C-O and C-O-C starching in phenolic compounds, demonstrating the presence of ligands on the surface of TiO2 nanoparticles. The Kubelka-Munk transformation of the diffuse reflection spectra shows a shift in the excitation of the TiO2 /DHQ towards the visible part of the spectrum. Cytotoxicity testing was performed on healthy human MRC-5 cells and human cervical cancer HeLa cells determined by MTT assay. Also, the effect of TiO2 /DHQ on the production of reactive oxygen species in MRC-5 cells was determined by the H2DCFDA assay.
PB  - Belgrade : Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings
T1  - Toksičnost nanočestica TiO2 modifikovanih dihidrokvarcetinom
T1  - Toxicity of TiO2 nanoparticles modified with dihydroquercetin
SP  - 146
EP  - 146
UR  - https://hdl.handle.net/21.15107/rcub_vinar_13039
ER  - 

@conference{
author = "Nikšić, Valentina and Dukić, Miljana and Pirković, Andrea and Lazić, Vesna",
year = "2023",
abstract = "Cilj ovog rada je modifikacija površine nanočestica TiO2 bioaktivnim ligandima, kao što je dihidrokvercetin (DHQ), formiranjem interfacijalnog kompleksa sa prenosom naelektrisanja, kako bi se postigla njegova aktivacija pod vidljivom svetlošću. Neorganskoorganski hibridni nanokompozit TiO2 /DHQ okarakterisan je infracrvenom (FTIR) i refleksionom spektroskopijom. FTIR spektri su identifikovali C=O grupe flavonoida, O-H, C-O i C-O-C grupe fenola, potvrđujući prisustvo liganada na površini nanočestica TiO2 . Kubelka-Munk transformacijom spektara difuzione refleksije vidi se pomeraj ekscitacije /DHQ prema vidljivom delu spektra. Ispitivanje citotoksičnosti MTT testom urađeno je na zdravim ljudskim MRC-5 ćelijama, kao i na ljudskim HeLa ćelijama raka grlića materice. Takođe, H2DCFDA testom ispitan je efekat TiO2 /DHQ na proizvodnju reaktivnih vrsta kiseonika u MRC-5 ćelijama., This study aims to modify the surface of TiO2 nanoparticles with bioactive ligands, forming an interfacial charge transfer complex to achieve its activation under visible light. Dihydroquercetin (DHQ) is a catechol-type ligand with pronounced antioxidant and valuable biological performance. The inorganic-organic hybrid nanocomposite TiO2 /DHQ was characterized by Fourier transform infrared (FTIR) and Reflectance spectroscopy. FTIR spectra identified C=O stretching in flavones, O-H, C-O and C-O-C starching in phenolic compounds, demonstrating the presence of ligands on the surface of TiO2 nanoparticles. The Kubelka-Munk transformation of the diffuse reflection spectra shows a shift in the excitation of the TiO2 /DHQ towards the visible part of the spectrum. Cytotoxicity testing was performed on healthy human MRC-5 cells and human cervical cancer HeLa cells determined by MTT assay. Also, the effect of TiO2 /DHQ on the production of reactive oxygen species in MRC-5 cells was determined by the H2DCFDA assay.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings",
title = "Toksičnost nanočestica TiO2 modifikovanih dihidrokvarcetinom, Toxicity of TiO2 nanoparticles modified with dihydroquercetin",
pages = "146-146",
url = "https://hdl.handle.net/21.15107/rcub_vinar_13039"
}

Nikšić, V., Dukić, M., Pirković, A.,& Lazić, V.. (2023). Toksičnost nanočestica TiO2 modifikovanih dihidrokvarcetinom. in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings
Belgrade : Serbian Chemical Society., 146-146.
https://hdl.handle.net/21.15107/rcub_vinar_13039

Nikšić V, Dukić M, Pirković A, Lazić V. Toksičnost nanočestica TiO2 modifikovanih dihidrokvarcetinom. in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings. 2023;:146-146.
https://hdl.handle.net/21.15107/rcub_vinar_13039 .

Nikšić, Valentina, Dukić, Miljana, Pirković, Andrea, Lazić, Vesna, "Toksičnost nanočestica TiO2 modifikovanih dihidrokvarcetinom" in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings (2023):146-146,
https://hdl.handle.net/21.15107/rcub_vinar_13039 .