TY  - CONF
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Đorđević, Ivana
AU  - Trišović, Nemanja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7350
AB  - Proučavano jedinjenje (slika 1) sintetisano je polazeći od cikloheksanona Bučerer- Bergsovom reakcijom i naknadnim acilovanjem dobijenog spirohidantoina. Izgradnja kristalne strukture ovog jedinjenja proučavana je sa aspekta doprinosa jednostavnih dimernih motiva koji se uspostavljaju preko različitih intermolekulskih interakcija.Intermolekulske interakcije dodatno su proučavane pomoću Hiršfeldovih površina i 2D grafičkih prikaza otisaka interakcija. Kristalna struktura, naime, zadržava motiv koji se često sreće kod derivata hidantoina, u kome su dva inverzano orijentisana molekula povezana parom N–H···O vodoničnih veza. Ovaj motiv formira dva tipa dvostrukih lanaca, koji dalje grade sloj (slika 2). Osim toga, slabe C–H⋯O interakcije zajedno sa disperzionim interakcijama (π-π i hidrofobne interakcije) identifikovane su u ovoj kristalnoj strukturi. Kristalografski	podaci:		C19H24N2O3, Mr = 328,4, trikliničan sistem, prostorna grupa P–1, a = 6,2810(2),	b = 12,0586(4),	c = 12,1852(5) Å,α = 77,624(3),	β = 81,039(3),	γ = 79,111(3) °,  V = 878.81(6) Å3, Z = 2, F(000) = 352, ρx = 1,380 g cm–3,µ(MoKα) = 0,084 mm–1. Utačnjavanje sa F2 (220 parametara) dalo je R1 = 0,0520, wR2 = 0,1199, S = 1,033 za sve podatke i R1 = 0,0443 za 3232 uočenih refleksija sa I ≥ 2σ(I).
AB  - The title compound (Figure 1) was prepared from cyclohexanone in the Bucherer-Bergs reaction, followed by acylation of the obtained spirohydantoin. Formation of the crystal structure of this compound was analysed in terms of a number of simple dimeric motifs which are associated with different intermolecular interactions. The crystal structure retains the motif commonly found in hydantoin derivatives, where two molecules related by inversion are linked by a pair of N–H O hydrogen bonds. This motif is involved in two types of double chains, whichfurther form a layer (Figure 2). Intermolecular interactions were also investigated using Hirshfeld surface analysis and 2D fingerprint analysis. Weak C–H⋯O interactions together with thedispersion interactions (π-π and hydrophobic) as the source of attraction are identified in this crystal structure.Crystal data: C19H24N2O3, Mr = 328.4, triclinic system, space group P–1, a = 6.2810(2), b = 12.0586(4), c = 12.1852(5) Å, a = 77.624(3), β = 81.039(3), γ = 79.111(3) °, V = 878.81(6) Å3, Z = 2, F(000) = 352,ρx = 1.380 g cm–3, µ(MoKa) == 0.084 mm–1. The refinement on F2 (220 parameters) yielded R1 = 0.0520, wR2 = 0.1199,S = 1.033 for all data, and R1 = 0.0443 for 3232 observed reflections with I ≥ 2σ(I).
PB  - Beograd : Srpsko kristalografsko društvo
C3  - 28th Conference of the Serbian Crystallographic Society, Abstracts, Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva, Izvodi radova, Čačak, Srbija
T1  - Uloga strukturnih motiva u izgradnji supramolekulske arhitekture 3-(4-terc-butilbenzoil)-1,3-diazaspiro[4.5]Dekan-2,4-diona
T1  - Role of structural motifs in formation of the supramolecular architecture of 3-(4-tert-butylbenzoyl)-1,3-diazaspiro[4.5]Decane-2,4-dione
SP  - 56
EP  - 57
UR  - https://hdl.handle.net/21.15107/rcub_cer_7350
ER  - 

@conference{
author = "Lazić, Anita and Radovanović, Lidija and Rogan, Jelena and Janjić, Goran and Đorđević, Ivana and Trišović, Nemanja",
year = "2023",
abstract = "Proučavano jedinjenje (slika 1) sintetisano je polazeći od cikloheksanona Bučerer- Bergsovom reakcijom i naknadnim acilovanjem dobijenog spirohidantoina. Izgradnja kristalne strukture ovog jedinjenja proučavana je sa aspekta doprinosa jednostavnih dimernih motiva koji se uspostavljaju preko različitih intermolekulskih interakcija.Intermolekulske interakcije dodatno su proučavane pomoću Hiršfeldovih površina i 2D grafičkih prikaza otisaka interakcija. Kristalna struktura, naime, zadržava motiv koji se često sreće kod derivata hidantoina, u kome su dva inverzano orijentisana molekula povezana parom N–H···O vodoničnih veza. Ovaj motiv formira dva tipa dvostrukih lanaca, koji dalje grade sloj (slika 2). Osim toga, slabe C–H⋯O interakcije zajedno sa disperzionim interakcijama (π-π i hidrofobne interakcije) identifikovane su u ovoj kristalnoj strukturi. Kristalografski	podaci:		C19H24N2O3, Mr = 328,4, trikliničan sistem, prostorna grupa P–1, a = 6,2810(2),	b = 12,0586(4),	c = 12,1852(5) Å,α = 77,624(3),	β = 81,039(3),	γ = 79,111(3) °,  V = 878.81(6) Å3, Z = 2, F(000) = 352, ρx = 1,380 g cm–3,µ(MoKα) = 0,084 mm–1. Utačnjavanje sa F2 (220 parametara) dalo je R1 = 0,0520, wR2 = 0,1199, S = 1,033 za sve podatke i R1 = 0,0443 za 3232 uočenih refleksija sa I ≥ 2σ(I)., The title compound (Figure 1) was prepared from cyclohexanone in the Bucherer-Bergs reaction, followed by acylation of the obtained spirohydantoin. Formation of the crystal structure of this compound was analysed in terms of a number of simple dimeric motifs which are associated with different intermolecular interactions. The crystal structure retains the motif commonly found in hydantoin derivatives, where two molecules related by inversion are linked by a pair of N–H O hydrogen bonds. This motif is involved in two types of double chains, whichfurther form a layer (Figure 2). Intermolecular interactions were also investigated using Hirshfeld surface analysis and 2D fingerprint analysis. Weak C–H⋯O interactions together with thedispersion interactions (π-π and hydrophobic) as the source of attraction are identified in this crystal structure.Crystal data: C19H24N2O3, Mr = 328.4, triclinic system, space group P–1, a = 6.2810(2), b = 12.0586(4), c = 12.1852(5) Å, a = 77.624(3), β = 81.039(3), γ = 79.111(3) °, V = 878.81(6) Å3, Z = 2, F(000) = 352,ρx = 1.380 g cm–3, µ(MoKa) == 0.084 mm–1. The refinement on F2 (220 parameters) yielded R1 = 0.0520, wR2 = 0.1199,S = 1.033 for all data, and R1 = 0.0443 for 3232 observed reflections with I ≥ 2σ(I).",
publisher = "Beograd : Srpsko kristalografsko društvo",
journal = "28th Conference of the Serbian Crystallographic Society, Abstracts, Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva, Izvodi radova, Čačak, Srbija",
title = "Uloga strukturnih motiva u izgradnji supramolekulske arhitekture 3-(4-terc-butilbenzoil)-1,3-diazaspiro[4.5]Dekan-2,4-diona, Role of structural motifs in formation of the supramolecular architecture of 3-(4-tert-butylbenzoyl)-1,3-diazaspiro[4.5]Decane-2,4-dione",
pages = "56-57",
url = "https://hdl.handle.net/21.15107/rcub_cer_7350"
}

Lazić, A., Radovanović, L., Rogan, J., Janjić, G., Đorđević, I.,& Trišović, N.. (2023). Uloga strukturnih motiva u izgradnji supramolekulske arhitekture 3-(4-terc-butilbenzoil)-1,3-diazaspiro[4.5]Dekan-2,4-diona. in 28th Conference of the Serbian Crystallographic Society, Abstracts, Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva, Izvodi radova, Čačak, Srbija
Beograd : Srpsko kristalografsko društvo., 56-57.
https://hdl.handle.net/21.15107/rcub_cer_7350

Lazić A, Radovanović L, Rogan J, Janjić G, Đorđević I, Trišović N. Uloga strukturnih motiva u izgradnji supramolekulske arhitekture 3-(4-terc-butilbenzoil)-1,3-diazaspiro[4.5]Dekan-2,4-diona. in 28th Conference of the Serbian Crystallographic Society, Abstracts, Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva, Izvodi radova, Čačak, Srbija. 2023;:56-57.
https://hdl.handle.net/21.15107/rcub_cer_7350 .

Lazić, Anita, Radovanović, Lidija, Rogan, Jelena, Janjić, Goran, Đorđević, Ivana, Trišović, Nemanja, "Uloga strukturnih motiva u izgradnji supramolekulske arhitekture 3-(4-terc-butilbenzoil)-1,3-diazaspiro[4.5]Dekan-2,4-diona" in 28th Conference of the Serbian Crystallographic Society, Abstracts, Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva, Izvodi radova, Čačak, Srbija (2023):56-57,
https://hdl.handle.net/21.15107/rcub_cer_7350 .

TY  - CONF
AU  - Lazić, Anita
AU  - Đorđević, Ivana
AU  - Radovanović, Lidija
AU  - Popović, Dragan
AU  - Rogan, Jelena
AU  - Trišović, Nemanja
AU  - Janjić, Goran
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6816
AB  - The hierarchical development of the crystal structure of racemic 3-(4-methoxybenzyl)-6,7- benzo-1,3-diazaspiro[4.5]decane-2,4-dione was analyzed through cooperativity of various homo  and heterochiral dimeric motifs associated with the presence of different intermolecular  interactions, namely strong N–H···O and weaker C–H···O, C–H···π and PILOs.1 Although a  bigger number of the contacts in the environment of the tetralin unit results from its larger  contact surface, the 4-methoxybenzyl unit provides a greater contribution to the overall  stabilization. In addition, the investigated compound is identified as a potential inhibitor of  kinase enzymes and AG protein-coupled receptors, with a slightly higher affinity for the later  enzyme. An analysis of the nature of the amino acid residues around the tetralin and 4-methoxy  benzyl units revealed that interactions with nonpolar groups are the most prevalent and even  more numerous than interactions with other amino acid residues (polar, positive and negative).
PB  - COST Action CA21101 "COSY"
C3  - Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
T1  - Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone
SP  - 47
EP  - 47
UR  - https://hdl.handle.net/21.15107/rcub_cer_6816
ER  - 

@conference{
author = "Lazić, Anita and Đorđević, Ivana and Radovanović, Lidija and Popović, Dragan and Rogan, Jelena and Trišović, Nemanja and Janjić, Goran",
year = "2023",
abstract = "The hierarchical development of the crystal structure of racemic 3-(4-methoxybenzyl)-6,7- benzo-1,3-diazaspiro[4.5]decane-2,4-dione was analyzed through cooperativity of various homo  and heterochiral dimeric motifs associated with the presence of different intermolecular  interactions, namely strong N–H···O and weaker C–H···O, C–H···π and PILOs.1 Although a  bigger number of the contacts in the environment of the tetralin unit results from its larger  contact surface, the 4-methoxybenzyl unit provides a greater contribution to the overall  stabilization. In addition, the investigated compound is identified as a potential inhibitor of  kinase enzymes and AG protein-coupled receptors, with a slightly higher affinity for the later  enzyme. An analysis of the nature of the amino acid residues around the tetralin and 4-methoxy  benzyl units revealed that interactions with nonpolar groups are the most prevalent and even  more numerous than interactions with other amino acid residues (polar, positive and negative).",
publisher = "COST Action CA21101 "COSY"",
journal = "Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade",
title = "Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone",
pages = "47-47",
url = "https://hdl.handle.net/21.15107/rcub_cer_6816"
}

Lazić, A., Đorđević, I., Radovanović, L., Popović, D., Rogan, J., Trišović, N.,& Janjić, G.. (2023). Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
COST Action CA21101 "COSY"., 47-47.
https://hdl.handle.net/21.15107/rcub_cer_6816

Lazić A, Đorđević I, Radovanović L, Popović D, Rogan J, Trišović N, Janjić G. Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade. 2023;:47-47.
https://hdl.handle.net/21.15107/rcub_cer_6816 .

Lazić, Anita, Đorđević, Ivana, Radovanović, Lidija, Popović, Dragan, Rogan, Jelena, Trišović, Nemanja, Janjić, Goran, "Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone" in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade (2023):47-47,
https://hdl.handle.net/21.15107/rcub_cer_6816 .

TY  - CONF
AU  - Lazić, Anita
AU  - Lađarević, Jelena
AU  - Mašulović, Aleksandra
AU  - Gak Simić, Kristina
AU  - Matović, Luka
AU  - Đorđević, Ivana
AU  - Trišović, Nemanja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7402
AB  - A convenient and efficient approach toward the synthesis of six 3-(4-substituted benzyl)-6,7-benzo-1,3-diazaspiro[4.5]decane-2,4-diones (1‒6) by Bucherer-Bergs reaction and further alkylation at position 3 of the hydantoin ring is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, NMR and UV–Vis spectroscopic methods. To gain an insight into interactions which the investigated spirohydantoins establish with their environment, their absorption spectra were recorded in selected solvents of different polarity and the solvent effects on the UV-Vis absorption band positions, intensity and shape, were discussed. Substiuent effects on the solvatochromism of compounds 1−6 were analyzed using the Hammett's equation. Considering the broad applications of hydantoin derivatives, as well as the fact that their relative importance may increase in the future, results obtained in this study serve as a basis for further investigations.
PB  - Szeged : University of Szeged
C3  - Proceedings of the 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023
T1  - Evaluation of solvent and substituent effects on absorption spectra of spirohydantoins derived from alfa-tetralone
SP  - 202
EP  - 206
UR  - https://hdl.handle.net/21.15107/rcub_cer_7402
ER  - 

@conference{
author = "Lazić, Anita and Lađarević, Jelena and Mašulović, Aleksandra and Gak Simić, Kristina and Matović, Luka and Đorđević, Ivana and Trišović, Nemanja",
year = "2023",
abstract = "A convenient and efficient approach toward the synthesis of six 3-(4-substituted benzyl)-6,7-benzo-1,3-diazaspiro[4.5]decane-2,4-diones (1‒6) by Bucherer-Bergs reaction and further alkylation at position 3 of the hydantoin ring is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, NMR and UV–Vis spectroscopic methods. To gain an insight into interactions which the investigated spirohydantoins establish with their environment, their absorption spectra were recorded in selected solvents of different polarity and the solvent effects on the UV-Vis absorption band positions, intensity and shape, were discussed. Substiuent effects on the solvatochromism of compounds 1−6 were analyzed using the Hammett's equation. Considering the broad applications of hydantoin derivatives, as well as the fact that their relative importance may increase in the future, results obtained in this study serve as a basis for further investigations.",
publisher = "Szeged : University of Szeged",
journal = "Proceedings of the 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023",
title = "Evaluation of solvent and substituent effects on absorption spectra of spirohydantoins derived from alfa-tetralone",
pages = "202-206",
url = "https://hdl.handle.net/21.15107/rcub_cer_7402"
}

Lazić, A., Lađarević, J., Mašulović, A., Gak Simić, K., Matović, L., Đorđević, I.,& Trišović, N.. (2023). Evaluation of solvent and substituent effects on absorption spectra of spirohydantoins derived from alfa-tetralone. in Proceedings of the 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023
Szeged : University of Szeged., 202-206.
https://hdl.handle.net/21.15107/rcub_cer_7402

Lazić A, Lađarević J, Mašulović A, Gak Simić K, Matović L, Đorđević I, Trišović N. Evaluation of solvent and substituent effects on absorption spectra of spirohydantoins derived from alfa-tetralone. in Proceedings of the 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023. 2023;:202-206.
https://hdl.handle.net/21.15107/rcub_cer_7402 .

Lazić, Anita, Lađarević, Jelena, Mašulović, Aleksandra, Gak Simić, Kristina, Matović, Luka, Đorđević, Ivana, Trišović, Nemanja, "Evaluation of solvent and substituent effects on absorption spectra of spirohydantoins derived from alfa-tetralone" in Proceedings of the 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023 (2023):202-206,
https://hdl.handle.net/21.15107/rcub_cer_7402 .

TY  - JOUR
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Valentić, Nataša
AU  - Janjić, Goran
AU  - Đorđević, Ivana
AU  - Trišović, Nemanja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7119
AB  - The present study describes representative examples of supramolecular arrangement of 5-phenylhydantoins achieved through various N–H⋯O hydrogen-bonding patterns. Four derivatives, 5-ethyl-5-(4-methylphenyl)hydantoin (1) and three 5-methyl-5-(3- or 4-substituted phenyl)hydantoins (2–4), were synthesized by the Bucherer–Bergs reaction and their crystal structures were determined by the single crystal X-ray diffraction method. A racemate, racemic hydrate and conglomerate as outcomes of crystallization from racemic solutions were found here. The crystal structures were firstly subjected to Hirshfeld surfaces analysis. The development of hydrogen bonding driven two-dimensional assemblies such as tapes, ribbons and sheets was further analysed using DFT calculations in terms of contribution of dimeric motifs as building blocks, which are associated with the presence of intermolecular interactions. To explore qualitative correlations between intermolecular interactions determining the crystal structures of the investigated compounds and those underlying their biological activity, we performed a docking study on the neuronal voltage gated sodium channels, matrix metalloproteinase 12 and aldose reductase. The supramolecular profiles of the investigated compounds are also maintained in biological systems and as such are responsible for differences in their biological activities.
PB  - Royal Society of Chemistry
T2  - CrystEngComm
T1  - Exploring the supramolecular profile of 5-phenylhydantoins
VL  - 25
SP  - 3637
EP  - 3654
DO  - 10.1039/D3CE00213F
ER  - 

@article{
author = "Lazić, Anita and Radovanović, Lidija and Rogan, Jelena and Valentić, Nataša and Janjić, Goran and Đorđević, Ivana and Trišović, Nemanja",
year = "2023",
abstract = "The present study describes representative examples of supramolecular arrangement of 5-phenylhydantoins achieved through various N–H⋯O hydrogen-bonding patterns. Four derivatives, 5-ethyl-5-(4-methylphenyl)hydantoin (1) and three 5-methyl-5-(3- or 4-substituted phenyl)hydantoins (2–4), were synthesized by the Bucherer–Bergs reaction and their crystal structures were determined by the single crystal X-ray diffraction method. A racemate, racemic hydrate and conglomerate as outcomes of crystallization from racemic solutions were found here. The crystal structures were firstly subjected to Hirshfeld surfaces analysis. The development of hydrogen bonding driven two-dimensional assemblies such as tapes, ribbons and sheets was further analysed using DFT calculations in terms of contribution of dimeric motifs as building blocks, which are associated with the presence of intermolecular interactions. To explore qualitative correlations between intermolecular interactions determining the crystal structures of the investigated compounds and those underlying their biological activity, we performed a docking study on the neuronal voltage gated sodium channels, matrix metalloproteinase 12 and aldose reductase. The supramolecular profiles of the investigated compounds are also maintained in biological systems and as such are responsible for differences in their biological activities.",
publisher = "Royal Society of Chemistry",
journal = "CrystEngComm",
title = "Exploring the supramolecular profile of 5-phenylhydantoins",
volume = "25",
pages = "3637-3654",
doi = "10.1039/D3CE00213F"
}

Lazić, A., Radovanović, L., Rogan, J., Valentić, N., Janjić, G., Đorđević, I.,& Trišović, N.. (2023). Exploring the supramolecular profile of 5-phenylhydantoins. in CrystEngComm
Royal Society of Chemistry., 25, 3637-3654.
https://doi.org/10.1039/D3CE00213F

Lazić A, Radovanović L, Rogan J, Valentić N, Janjić G, Đorđević I, Trišović N. Exploring the supramolecular profile of 5-phenylhydantoins. in CrystEngComm. 2023;25:3637-3654.
doi:10.1039/D3CE00213F .

Lazić, Anita, Radovanović, Lidija, Rogan, Jelena, Valentić, Nataša, Janjić, Goran, Đorđević, Ivana, Trišović, Nemanja, "Exploring the supramolecular profile of 5-phenylhydantoins" in CrystEngComm, 25 (2023):3637-3654,
https://doi.org/10.1039/D3CE00213F . .

TY  - JOUR
AU  - Matović, Luka
AU  - Trišović, Nemanja
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Yavuz, Cagdas
AU  - Sen, Burak
AU  - Yasir, Albashir
AU  - Ela, Sule Erten
AU  - Mijin, Dušan
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5385
AB  - Five novel D-π-A structured pyridinium based compounds, bearing different electron-donating units were synthesized, minutely characterized, and their solvatochromic and electronic properties were investigated. Subsequently, these compounds were added to a liquid electrolyte in order to enhance the photovoltaic performance of the N719-sensitized solar cell. It was demonstrated that the utilization of all compounds improved the conversion efficiency, compared to the reference solar cell comprised of plain liquid electrolyte. The photovoltaic performance of the fabricated DSSC depended of the electron-donating moiety of the synthesized compound. The highest photovoltaic conversion efficiency of 4.11% was obtained for DSSC with the compound bearing the 4-(N,N-dimethylamino)phenyl group.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Synthesis of novel pyridinium based compounds and their possible application in dye-sensitized solar cells
VL  - 1274
SP  - 134433
DO  - 10.1016/j.molstruc.2022.134433
ER  - 

@article{
author = "Matović, Luka and Trišović, Nemanja and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Yavuz, Cagdas and Sen, Burak and Yasir, Albashir and Ela, Sule Erten and Mijin, Dušan",
year = "2023",
abstract = "Five novel D-π-A structured pyridinium based compounds, bearing different electron-donating units were synthesized, minutely characterized, and their solvatochromic and electronic properties were investigated. Subsequently, these compounds were added to a liquid electrolyte in order to enhance the photovoltaic performance of the N719-sensitized solar cell. It was demonstrated that the utilization of all compounds improved the conversion efficiency, compared to the reference solar cell comprised of plain liquid electrolyte. The photovoltaic performance of the fabricated DSSC depended of the electron-donating moiety of the synthesized compound. The highest photovoltaic conversion efficiency of 4.11% was obtained for DSSC with the compound bearing the 4-(N,N-dimethylamino)phenyl group.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Synthesis of novel pyridinium based compounds and their possible application in dye-sensitized solar cells",
volume = "1274",
pages = "134433",
doi = "10.1016/j.molstruc.2022.134433"
}

Matović, L., Trišović, N., Lađarević, J., Vitnik, V., Vitnik, Ž., Yavuz, C., Sen, B., Yasir, A., Ela, S. E.,& Mijin, D.. (2023). Synthesis of novel pyridinium based compounds and their possible application in dye-sensitized solar cells. in Journal of Molecular Structure
Elsevier., 1274, 134433.
https://doi.org/10.1016/j.molstruc.2022.134433

Matović L, Trišović N, Lađarević J, Vitnik V, Vitnik Ž, Yavuz C, Sen B, Yasir A, Ela SE, Mijin D. Synthesis of novel pyridinium based compounds and their possible application in dye-sensitized solar cells. in Journal of Molecular Structure. 2023;1274:134433.
doi:10.1016/j.molstruc.2022.134433 .

Matović, Luka, Trišović, Nemanja, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Yavuz, Cagdas, Sen, Burak, Yasir, Albashir, Ela, Sule Erten, Mijin, Dušan, "Synthesis of novel pyridinium based compounds and their possible application in dye-sensitized solar cells" in Journal of Molecular Structure, 1274 (2023):134433,
https://doi.org/10.1016/j.molstruc.2022.134433 . .

TY  - CONF
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Trišović, Nemanja
AU  - Đorđević, Ivana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7542
AB  - Derivat cikloheksan-5-spirohidantoina (Slika 1) je sintetisan, određena je njegova kristalnastruktura i urađena kvantno-hemijska analiza. Kristalno pakovanje grade mrežesupramolekulskih R64(32) prstenova postavljenih međusobno paralelno, pri čemu seformiraju linearni kanali. Određene su vrednosti energije intermolekulskih interakcija zarazličite dimerne motive dobijene iz kristalne strukture. Uzimajući u razmatranjeprethodno strukturno okarakterisane srodne spirohidantoine [1], dobijena je serijajedinjenja koja je omogućila procenu uticaja supstituenata na njihovu molekulsku ikristalnu strukturu.
AB  - A spirohydantoin derivative (Figure 1) was synthesized and its crystal structure wasdetermined by single crystal X-ray diffraction and analysed by DFT calculations. Thecrystal packing is made of supramolecular nets of R64(32) rings linked together to formstacks that enclose linear channels. The intermolecular interaction energies are quantifiedfor various dimeric motifs. By including the previously reported structurally-relatedspirohydantoins [1], we created a set of compounds that enabled us to evaluate substituenteffects on both molecular and crystal structures.
PB  - Beograd : Srpsko hemijsko društvo
C3  - Kratki izvodi radova ; Knjiga radova / 58. savetovanje Srpskog hemijskog društva, Beograd, 9. i 10. jun 2022. godine
T1  - Proučavanje konformacije i kristalne strukture odabranih derivata cikloheksan-5-spirohidantoina
T1  - Insights into conformational and cristal structure features of selected cyclohexane-5-spirohydantoin derivatives
SP  - 138
EP  - 138
UR  - https://hdl.handle.net/21.15107/rcub_cer_7542
ER  - 

@conference{
author = "Lazić, Anita and Radovanović, Lidija and Rogan, Jelena and Janjić, Goran and Trišović, Nemanja and Đorđević, Ivana",
year = "2022",
abstract = "Derivat cikloheksan-5-spirohidantoina (Slika 1) je sintetisan, određena je njegova kristalnastruktura i urađena kvantno-hemijska analiza. Kristalno pakovanje grade mrežesupramolekulskih R64(32) prstenova postavljenih međusobno paralelno, pri čemu seformiraju linearni kanali. Određene su vrednosti energije intermolekulskih interakcija zarazličite dimerne motive dobijene iz kristalne strukture. Uzimajući u razmatranjeprethodno strukturno okarakterisane srodne spirohidantoine [1], dobijena je serijajedinjenja koja je omogućila procenu uticaja supstituenata na njihovu molekulsku ikristalnu strukturu., A spirohydantoin derivative (Figure 1) was synthesized and its crystal structure wasdetermined by single crystal X-ray diffraction and analysed by DFT calculations. Thecrystal packing is made of supramolecular nets of R64(32) rings linked together to formstacks that enclose linear channels. The intermolecular interaction energies are quantifiedfor various dimeric motifs. By including the previously reported structurally-relatedspirohydantoins [1], we created a set of compounds that enabled us to evaluate substituenteffects on both molecular and crystal structures.",
publisher = "Beograd : Srpsko hemijsko društvo",
journal = "Kratki izvodi radova ; Knjiga radova / 58. savetovanje Srpskog hemijskog društva, Beograd, 9. i 10. jun 2022. godine",
title = "Proučavanje konformacije i kristalne strukture odabranih derivata cikloheksan-5-spirohidantoina, Insights into conformational and cristal structure features of selected cyclohexane-5-spirohydantoin derivatives",
pages = "138-138",
url = "https://hdl.handle.net/21.15107/rcub_cer_7542"
}

Lazić, A., Radovanović, L., Rogan, J., Janjić, G., Trišović, N.,& Đorđević, I.. (2022). Proučavanje konformacije i kristalne strukture odabranih derivata cikloheksan-5-spirohidantoina. in Kratki izvodi radova ; Knjiga radova / 58. savetovanje Srpskog hemijskog društva, Beograd, 9. i 10. jun 2022. godine
Beograd : Srpsko hemijsko društvo., 138-138.
https://hdl.handle.net/21.15107/rcub_cer_7542

Lazić A, Radovanović L, Rogan J, Janjić G, Trišović N, Đorđević I. Proučavanje konformacije i kristalne strukture odabranih derivata cikloheksan-5-spirohidantoina. in Kratki izvodi radova ; Knjiga radova / 58. savetovanje Srpskog hemijskog društva, Beograd, 9. i 10. jun 2022. godine. 2022;:138-138.
https://hdl.handle.net/21.15107/rcub_cer_7542 .

Lazić, Anita, Radovanović, Lidija, Rogan, Jelena, Janjić, Goran, Trišović, Nemanja, Đorđević, Ivana, "Proučavanje konformacije i kristalne strukture odabranih derivata cikloheksan-5-spirohidantoina" in Kratki izvodi radova ; Knjiga radova / 58. savetovanje Srpskog hemijskog društva, Beograd, 9. i 10. jun 2022. godine (2022):138-138,
https://hdl.handle.net/21.15107/rcub_cer_7542 .

TY  - JOUR
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Gak Simić, Kristina
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Trišović, Nemanja
AU  - Đorđević, Ivana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5427
AB  - Two spirohydantoin derivatives, 3-(4-chlorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione (1) and 3-(4-bromobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione (2), were synthesized and analyzed by single crystal X-ray diffraction, DFT and QTAIM calculations. Simple substitution of the benzoyl unit gave rise to different crystal structures. In 1, a parallel stack along the b-axis with alternating perpendicular separation is formed, while in 2 the R46(32) nets are joined together to form stacks which enclose linear channels. Hierarchical development of these crystal structures was analyzed through dimeric motifs associated with the presence of intermolecular interactions. By including the previously reported structurally-related spirohydantoin derivatives, we created a set of structures which enabled us to evaluate substituent effects on their conformational preferences, i.e., widening of the dihedral angle between the hydantoin and substituted benzoyl unit when going from F to Br. A conformational search revealed that the value of the torsion angle N3-C11-C12-C13 can be regarded as a compromise between the extended conjugation between the carbonyl and phenyl group and intramolecular C-H⋯O interaction between these two groups. This intramolecular effect is more pronounced on the torsion angle C2-N3-C11-C12, which defines the relative orientation between the hydantoin ring and the carbonyl bridge. The present work may provide a basis for design of new cyclohexane-5-spirohydantoins with potential for pharmaceutical applications both at the molecular and supramolecular level.
PB  - USA : Royal Society of Chemistry
T2  - CrystEngComm
T1  - Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group
VL  - 24
IS  - 22
SP  - 4106
EP  - 4119
DO  - 10.1039/d2ce00376g
ER  - 

@article{
author = "Lazić, Anita and Radovanović, Lidija and Gak Simić, Kristina and Rogan, Jelena and Janjić, Goran and Trišović, Nemanja and Đorđević, Ivana",
year = "2022",
abstract = "Two spirohydantoin derivatives, 3-(4-chlorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione (1) and 3-(4-bromobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione (2), were synthesized and analyzed by single crystal X-ray diffraction, DFT and QTAIM calculations. Simple substitution of the benzoyl unit gave rise to different crystal structures. In 1, a parallel stack along the b-axis with alternating perpendicular separation is formed, while in 2 the R46(32) nets are joined together to form stacks which enclose linear channels. Hierarchical development of these crystal structures was analyzed through dimeric motifs associated with the presence of intermolecular interactions. By including the previously reported structurally-related spirohydantoin derivatives, we created a set of structures which enabled us to evaluate substituent effects on their conformational preferences, i.e., widening of the dihedral angle between the hydantoin and substituted benzoyl unit when going from F to Br. A conformational search revealed that the value of the torsion angle N3-C11-C12-C13 can be regarded as a compromise between the extended conjugation between the carbonyl and phenyl group and intramolecular C-H⋯O interaction between these two groups. This intramolecular effect is more pronounced on the torsion angle C2-N3-C11-C12, which defines the relative orientation between the hydantoin ring and the carbonyl bridge. The present work may provide a basis for design of new cyclohexane-5-spirohydantoins with potential for pharmaceutical applications both at the molecular and supramolecular level.",
publisher = "USA : Royal Society of Chemistry",
journal = "CrystEngComm",
title = "Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group",
volume = "24",
number = "22",
pages = "4106-4119",
doi = "10.1039/d2ce00376g"
}

Lazić, A., Radovanović, L., Gak Simić, K., Rogan, J., Janjić, G., Trišović, N.,& Đorđević, I.. (2022). Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group. in CrystEngComm
USA : Royal Society of Chemistry., 24(22), 4106-4119.
https://doi.org/10.1039/d2ce00376g

Lazić A, Radovanović L, Gak Simić K, Rogan J, Janjić G, Trišović N, Đorđević I. Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group. in CrystEngComm. 2022;24(22):4106-4119.
doi:10.1039/d2ce00376g .

Lazić, Anita, Radovanović, Lidija, Gak Simić, Kristina, Rogan, Jelena, Janjić, Goran, Trišović, Nemanja, Đorđević, Ivana, "Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group" in CrystEngComm, 24, no. 22 (2022):4106-4119,
https://doi.org/10.1039/d2ce00376g . .

TY  - JOUR
AU  - Petković-Benazzouz, Marija M.
AU  - Rakić, Aleksandra
AU  - Trišović, Nemanja
AU  - Zarić, Božidarka
AU  - Janjić, Goran
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7120
AB  - Coordination effects have been considered through the most common interactions in the crystal structures of fluoro compounds (C–H/F and F/F interactions). The supramolecular profile of these effects is based on quantum-chemical calculations for the assessment of the interaction strength and electrostatic potential maps, which provide a qualitative insight into the examined effect. Coordination of aliphatic fluorides leads to an increase of the negative potential of the F atoms, and, hence, an increase in the hydrogen-bonding acceptor ability (strengthening of C–H/F interactions) and a weakening of the F/F interactions, due to an increase in repulsive interactions between the F atoms. There is no significant change in the potential of the F atoms due to coordination of C6-aromatic fluorides, as in the case of aliphatic ones. This results in slight changes in the strengths of the C–H/F and F/F interactions (coupled with parallel interaction at large offsets, PILO), in a noticeable enhancement of stacking interactions, as well as in a significant enhancement of interactions involving the π-system (F/π and C–H/π interactions). It has also been shown that a decrease in the charge of the metal ions leads to a decrease in the negative potential of the F atom and also that the nature of the metal ion has a significant influence on the value of the potential of the F atoms.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth and Design
T1  - Supramolecular Perspective of Coordination Effects on Fluorine Interactions
VL  - 21
VL  - 6142
IS  - 11
SP  - 6129
DO  - 10.1021/acs.cgd.1c00584
ER  - 

@article{
author = "Petković-Benazzouz, Marija M. and Rakić, Aleksandra and Trišović, Nemanja and Zarić, Božidarka and Janjić, Goran",
year = "2021",
abstract = "Coordination effects have been considered through the most common interactions in the crystal structures of fluoro compounds (C–H/F and F/F interactions). The supramolecular profile of these effects is based on quantum-chemical calculations for the assessment of the interaction strength and electrostatic potential maps, which provide a qualitative insight into the examined effect. Coordination of aliphatic fluorides leads to an increase of the negative potential of the F atoms, and, hence, an increase in the hydrogen-bonding acceptor ability (strengthening of C–H/F interactions) and a weakening of the F/F interactions, due to an increase in repulsive interactions between the F atoms. There is no significant change in the potential of the F atoms due to coordination of C6-aromatic fluorides, as in the case of aliphatic ones. This results in slight changes in the strengths of the C–H/F and F/F interactions (coupled with parallel interaction at large offsets, PILO), in a noticeable enhancement of stacking interactions, as well as in a significant enhancement of interactions involving the π-system (F/π and C–H/π interactions). It has also been shown that a decrease in the charge of the metal ions leads to a decrease in the negative potential of the F atom and also that the nature of the metal ion has a significant influence on the value of the potential of the F atoms.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth and Design",
title = "Supramolecular Perspective of Coordination Effects on Fluorine Interactions",
volume = "21, 6142",
number = "11",
pages = "6129",
doi = "10.1021/acs.cgd.1c00584"
}

Petković-Benazzouz, M. M., Rakić, A., Trišović, N., Zarić, B.,& Janjić, G.. (2021). Supramolecular Perspective of Coordination Effects on Fluorine Interactions. in Crystal Growth and Design
American Chemical Society (ACS)., 21(11), 6129.
https://doi.org/10.1021/acs.cgd.1c00584

Petković-Benazzouz MM, Rakić A, Trišović N, Zarić B, Janjić G. Supramolecular Perspective of Coordination Effects on Fluorine Interactions. in Crystal Growth and Design. 2021;21(11):6129.
doi:10.1021/acs.cgd.1c00584 .

Petković-Benazzouz, Marija M., Rakić, Aleksandra, Trišović, Nemanja, Zarić, Božidarka, Janjić, Goran, "Supramolecular Perspective of Coordination Effects on Fluorine Interactions" in Crystal Growth and Design, 21, no. 11 (2021):6129,
https://doi.org/10.1021/acs.cgd.1c00584 . .

TY  - CONF
AU  - Lazić, Anita
AU  - Đorđević, Ivana
AU  - Radovanović, Lidija
AU  - Popović, Dragan
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Trišović, Nemanja
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7124
AB  - A racemic spirohydantoin derivative bearing a tetralin and 4-methoxybenzyl group was synthesized
and its crystal structure was determined. The hierarchical development of the crystal packing was
discussed through cooperativity of various homo and heterohiral dimeric motifs associated with the
presence of different intermolecular interactions. A hallmark structural feature of the investigated
compound was alternation of double layers. A larger number of the contact fragments in the
environment of the tetralin unit results from its larger contact surface, while the 4-methoxybenzyl
unit provides a slightly greater contribution to the overall stabilization. Regarding the
pharmacological potential of the investigated compound, we performed a docking study on the
dopamine D3 receptor and IRAK 4 (Interleukin-1 Receptor-Associated Kinase 4) enzyme. The total
number of amino acid, which interact with the 4-methoxybenzyl unit, was slightly larger than the
number of amino acids in the neighborhood of the tetralin unit as a result of its greater flexibility. It
made the 4-methoxybenzyl unit more adaptable for interactions with the biological targets.
PB  - Belgrade : Serbian Chemical Society
C3  - Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia
T1  - Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative
T1  - Улога интермолекулских интеракција у супрамолекулској организацији и биолошком препознавању деривата спирохидантоина
SP  - 93
EP  - 93
UR  - https://hdl.handle.net/21.15107/rcub_cer_7124
ER  - 

@conference{
author = "Lazić, Anita and Đorđević, Ivana and Radovanović, Lidija and Popović, Dragan and Rogan, Jelena and Janjić, Goran and Trišović, Nemanja",
year = "2021",
abstract = "A racemic spirohydantoin derivative bearing a tetralin and 4-methoxybenzyl group was synthesized
and its crystal structure was determined. The hierarchical development of the crystal packing was
discussed through cooperativity of various homo and heterohiral dimeric motifs associated with the
presence of different intermolecular interactions. A hallmark structural feature of the investigated
compound was alternation of double layers. A larger number of the contact fragments in the
environment of the tetralin unit results from its larger contact surface, while the 4-methoxybenzyl
unit provides a slightly greater contribution to the overall stabilization. Regarding the
pharmacological potential of the investigated compound, we performed a docking study on the
dopamine D3 receptor and IRAK 4 (Interleukin-1 Receptor-Associated Kinase 4) enzyme. The total
number of amino acid, which interact with the 4-methoxybenzyl unit, was slightly larger than the
number of amino acids in the neighborhood of the tetralin unit as a result of its greater flexibility. It
made the 4-methoxybenzyl unit more adaptable for interactions with the biological targets.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia",
title = "Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative, Улога интермолекулских интеракција у супрамолекулској организацији и биолошком препознавању деривата спирохидантоина",
pages = "93-93",
url = "https://hdl.handle.net/21.15107/rcub_cer_7124"
}

Lazić, A., Đorđević, I., Radovanović, L., Popović, D., Rogan, J., Janjić, G.,& Trišović, N.. (2021). Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative. in Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia
Belgrade : Serbian Chemical Society., 93-93.
https://hdl.handle.net/21.15107/rcub_cer_7124

Lazić A, Đorđević I, Radovanović L, Popović D, Rogan J, Janjić G, Trišović N. Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative. in Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia. 2021;:93-93.
https://hdl.handle.net/21.15107/rcub_cer_7124 .

Lazić, Anita, Đorđević, Ivana, Radovanović, Lidija, Popović, Dragan, Rogan, Jelena, Janjić, Goran, Trišović, Nemanja, "Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative" in Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia (2021):93-93,
https://hdl.handle.net/21.15107/rcub_cer_7124 .

TY  - CONF
AU  - Rakić, Aleksandra
AU  - Petković-Benazzouz, Marija
AU  - Trišović, Nemanja
AU  - Janjić, Goran
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7125
AB  - Statistical analysis of crystal structures from CSD (Crystallographic database) has shown the 
F...F contacts are the second group of interactions (23050 structures), immediately after the 
hydrogen bonds (43397 structures), that are mainly of aliphatic C−H...F type. There is no clear 
tendency of F...F contacts toward some certain values of d parameter, but it is possible to notice noticeable clear tendency of numerous structures to d values greater than 2.9 Å. There is a pronounced maximum in the range of torsion angle T from 160 to 180° corresponding to trans orientation of interacting C−F and X−Y fragments.
AB  - На основу анализе кристалних структура преузетих из Кембричке базе кристалографских података (CSD) показано је да се алифтичне C−H...F водоничне везе издвајају као најбројније интеракције флуорованих алифатичних група (43397 стуктура).  Далеко испод (23050 структура), на другом месту су F...F интеракције. Уочљиво је да су вредности F...F растојања (d параметар) претежно изнад 2,9 Å. Међутим, не постоји јасно изражена тенденција према одређеној вредности d параметра. Пошто се за највећи број структура вредности торзионог угла C-F-X-Y (Т параметар) крећу између 160 и 180° може се закључити да интерагујуће C−F и X−Y групе међусобно заузимају trans оријентацију
PB  - Serbian Crystallographic Society
C3  - Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
T1  - Fluorovanje alifatičnih jedinjenja. Pokretačka sila u kristalnim strukturama
T1  - Fluorination of aliphatic compounds. Driving force in crystal structures
SP  - 12
EP  - 13
UR  - https://hdl.handle.net/21.15107/rcub_cer_7125
ER  - 

@conference{
author = "Rakić, Aleksandra and Petković-Benazzouz, Marija and Trišović, Nemanja and Janjić, Goran",
year = "2021",
abstract = "Statistical analysis of crystal structures from CSD (Crystallographic database) has shown the 
F...F contacts are the second group of interactions (23050 structures), immediately after the 
hydrogen bonds (43397 structures), that are mainly of aliphatic C−H...F type. There is no clear 
tendency of F...F contacts toward some certain values of d parameter, but it is possible to notice noticeable clear tendency of numerous structures to d values greater than 2.9 Å. There is a pronounced maximum in the range of torsion angle T from 160 to 180° corresponding to trans orientation of interacting C−F and X−Y fragments., На основу анализе кристалних структура преузетих из Кембричке базе кристалографских података (CSD) показано је да се алифтичне C−H...F водоничне везе издвајају као најбројније интеракције флуорованих алифатичних група (43397 стуктура).  Далеко испод (23050 структура), на другом месту су F...F интеракције. Уочљиво је да су вредности F...F растојања (d параметар) претежно изнад 2,9 Å. Међутим, не постоји јасно изражена тенденција према одређеној вредности d параметра. Пошто се за највећи број структура вредности торзионог угла C-F-X-Y (Т параметар) крећу између 160 и 180° може се закључити да интерагујуће C−F и X−Y групе међусобно заузимају trans оријентацију",
publisher = "Serbian Crystallographic Society",
journal = "Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac",
title = "Fluorovanje alifatičnih jedinjenja. Pokretačka sila u kristalnim strukturama, Fluorination of aliphatic compounds. Driving force in crystal structures",
pages = "12-13",
url = "https://hdl.handle.net/21.15107/rcub_cer_7125"
}

Rakić, A., Petković-Benazzouz, M., Trišović, N.,& Janjić, G.. (2021). Fluorovanje alifatičnih jedinjenja. Pokretačka sila u kristalnim strukturama. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
Serbian Crystallographic Society., 12-13.
https://hdl.handle.net/21.15107/rcub_cer_7125

Rakić A, Petković-Benazzouz M, Trišović N, Janjić G. Fluorovanje alifatičnih jedinjenja. Pokretačka sila u kristalnim strukturama. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac. 2021;:12-13.
https://hdl.handle.net/21.15107/rcub_cer_7125 .

Rakić, Aleksandra, Petković-Benazzouz, Marija, Trišović, Nemanja, Janjić, Goran, "Fluorovanje alifatičnih jedinjenja. Pokretačka sila u kristalnim strukturama" in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac (2021):12-13,
https://hdl.handle.net/21.15107/rcub_cer_7125 .

TY  - CONF
AU  - Gak Simić, Kristina
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Đorđević, Ivana
AU  - Trišović, Nemanja
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7126
AB  - Синтетисан је дериват циклохексан-5-спирохидантоина и одређена је његова кристална
структура. Хијерархијски развој кристалног паковања дискутован је са аспекта кооперативности димерних мотива који настају преко различитих интермолекулских
интеракција, и то: јаких N–H···O водоничних веза и слабих C–H···O, C–H···Cl и C–H···π
интеракција. Кристално паковање задржава мотив, који се обично среће код деривата
хидантоина, у коме су два инверзано оријентисана молекула повезана паром N–H···O
водоничних веза. Специфична структурна карактеристика јесу паралелни слојеви дуж ac-равни. Пошто овај мотив повезује сваки други слој, растојање између слојева се наизменично мења. Накнадна анализа Хиршфелдове површине омогућила је
разраду квалитативних и квантитативних доприноса интермолекулских интеракција
проучаваном кристалном паковању.
AB  - A derivative of cyclohexane-5-spirohydantoin was synthesized and its crystal structure was determined. The hierarchical development of the crystal packing was discussed through cooperativity of various dimeric motifs associated with the presence of different intermolecular interactions, namely strong N–H···O, and weaker C–H···O, C–H···Cl and C–H···π interactions. The crystal packing retained the motif commonly found in hydantoin derivatives where two molecules related by inversion are linked by a pair of N–H∙∙∙O hydrogen bonds. A hallmark structural feature was a parallel layer arrangement to the ac-plane with alternating perpendicular separation, whereby this motif connect every second layer. An analysis of the Hirshfeld surface further elaborated the qualitative and quantitative contributions of intermolecular interactions to the crystal packing.
PB  - Serbian Crystallographic Society
C3  - Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
T1  - Supramolekulska organizacija 3-(4-hlorbenzoil)-1,3- diazaspiro[4.5]dekan-2,4-diona
T1  - Supramolecular association in 3-(4-chlorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4- dione
SP  - 24
EP  - 25
UR  - https://hdl.handle.net/21.15107/rcub_cer_7126
ER  - 

@conference{
author = "Gak Simić, Kristina and Lazić, Anita and Radovanović, Lidija and Rogan, Jelena and Janjić, Goran and Đorđević, Ivana and Trišović, Nemanja",
year = "2021",
abstract = "Синтетисан је дериват циклохексан-5-спирохидантоина и одређена је његова кристална
структура. Хијерархијски развој кристалног паковања дискутован је са аспекта кооперативности димерних мотива који настају преко различитих интермолекулских
интеракција, и то: јаких N–H···O водоничних веза и слабих C–H···O, C–H···Cl и C–H···π
интеракција. Кристално паковање задржава мотив, који се обично среће код деривата
хидантоина, у коме су два инверзано оријентисана молекула повезана паром N–H···O
водоничних веза. Специфична структурна карактеристика јесу паралелни слојеви дуж ac-равни. Пошто овај мотив повезује сваки други слој, растојање између слојева се наизменично мења. Накнадна анализа Хиршфелдове површине омогућила је
разраду квалитативних и квантитативних доприноса интермолекулских интеракција
проучаваном кристалном паковању., A derivative of cyclohexane-5-spirohydantoin was synthesized and its crystal structure was determined. The hierarchical development of the crystal packing was discussed through cooperativity of various dimeric motifs associated with the presence of different intermolecular interactions, namely strong N–H···O, and weaker C–H···O, C–H···Cl and C–H···π interactions. The crystal packing retained the motif commonly found in hydantoin derivatives where two molecules related by inversion are linked by a pair of N–H∙∙∙O hydrogen bonds. A hallmark structural feature was a parallel layer arrangement to the ac-plane with alternating perpendicular separation, whereby this motif connect every second layer. An analysis of the Hirshfeld surface further elaborated the qualitative and quantitative contributions of intermolecular interactions to the crystal packing.",
publisher = "Serbian Crystallographic Society",
journal = "Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac",
title = "Supramolekulska organizacija 3-(4-hlorbenzoil)-1,3- diazaspiro[4.5]dekan-2,4-diona, Supramolecular association in 3-(4-chlorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4- dione",
pages = "24-25",
url = "https://hdl.handle.net/21.15107/rcub_cer_7126"
}

Gak Simić, K., Lazić, A., Radovanović, L., Rogan, J., Janjić, G., Đorđević, I.,& Trišović, N.. (2021). Supramolekulska organizacija 3-(4-hlorbenzoil)-1,3- diazaspiro[4.5]dekan-2,4-diona. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
Serbian Crystallographic Society., 24-25.
https://hdl.handle.net/21.15107/rcub_cer_7126

Gak Simić K, Lazić A, Radovanović L, Rogan J, Janjić G, Đorđević I, Trišović N. Supramolekulska organizacija 3-(4-hlorbenzoil)-1,3- diazaspiro[4.5]dekan-2,4-diona. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac. 2021;:24-25.
https://hdl.handle.net/21.15107/rcub_cer_7126 .

Gak Simić, Kristina, Lazić, Anita, Radovanović, Lidija, Rogan, Jelena, Janjić, Goran, Đorđević, Ivana, Trišović, Nemanja, "Supramolekulska organizacija 3-(4-hlorbenzoil)-1,3- diazaspiro[4.5]dekan-2,4-diona" in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac (2021):24-25,
https://hdl.handle.net/21.15107/rcub_cer_7126 .

TY  - CONF
AU  - Petković-Benazzouz, Marija
AU  - Rakić, Aleksandra
AU  - Trišović, Nemanja
AU  - Janjić, Goran
AU  - Sarvan, Mirjana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7128
AB  - Statistical analysis of crystal structures obtained from Cambridge Structural Database (CSD) 
showed that the most numerous are structures in which carbon atom is bound to interacting fluorine atom.
AB  - Statistička analiza kristalnih struktura iz Kembričke baze strukturnih podataka pokazuje da su 
najbrojnije one strukture kod kojih je ugljenikov atom vezan za interagujući atom fluora. One u 
kojima je fluor vezan za aromatičnu grupu su malo manje zastupljene.
PB  - Serbian Crystallographic Society
C3  - Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
T1  - Fluorinacija aromatičnih grupa. Efekat koordinovanja na atom fluora
T1  - Fluorination of aromatic groups. The effects of coordination on fluorine interactions
SP  - 48
EP  - 49
UR  - https://hdl.handle.net/21.15107/rcub_cer_7128
ER  - 

@conference{
author = "Petković-Benazzouz, Marija and Rakić, Aleksandra and Trišović, Nemanja and Janjić, Goran and Sarvan, Mirjana",
year = "2021",
abstract = "Statistical analysis of crystal structures obtained from Cambridge Structural Database (CSD) 
showed that the most numerous are structures in which carbon atom is bound to interacting fluorine atom., Statistička analiza kristalnih struktura iz Kembričke baze strukturnih podataka pokazuje da su 
najbrojnije one strukture kod kojih je ugljenikov atom vezan za interagujući atom fluora. One u 
kojima je fluor vezan za aromatičnu grupu su malo manje zastupljene.",
publisher = "Serbian Crystallographic Society",
journal = "Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac",
title = "Fluorinacija aromatičnih grupa. Efekat koordinovanja na atom fluora, Fluorination of aromatic groups. The effects of coordination on fluorine interactions",
pages = "48-49",
url = "https://hdl.handle.net/21.15107/rcub_cer_7128"
}

Petković-Benazzouz, M., Rakić, A., Trišović, N., Janjić, G.,& Sarvan, M.. (2021). Fluorinacija aromatičnih grupa. Efekat koordinovanja na atom fluora. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
Serbian Crystallographic Society., 48-49.
https://hdl.handle.net/21.15107/rcub_cer_7128

Petković-Benazzouz M, Rakić A, Trišović N, Janjić G, Sarvan M. Fluorinacija aromatičnih grupa. Efekat koordinovanja na atom fluora. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac. 2021;:48-49.
https://hdl.handle.net/21.15107/rcub_cer_7128 .

Petković-Benazzouz, Marija, Rakić, Aleksandra, Trišović, Nemanja, Janjić, Goran, Sarvan, Mirjana, "Fluorinacija aromatičnih grupa. Efekat koordinovanja na atom fluora" in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac (2021):48-49,
https://hdl.handle.net/21.15107/rcub_cer_7128 .

TY  - CONF
AU  - Janjić, Goran
AU  - Đorđević, Ivana
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Petković-Benazzouz, Marija
AU  - Rogan, Jelena
AU  - Trišović, Nemanja
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7127
AB  - Kristalografska i kvantnohemijska studija, koja je usmerena na proučavanje efekata fluorovanja benzoil-grupe vezane za cikloheksan-5-spirohidantoin, pokazala je da aromatični prsten ima najveći afinitet prema cikloheksanskom prstenu (nepolarnim grupama), sa kojim gradi C–H∙∙∙π i 
paralelne interakcije sa velikim pomakom. Uvođenje atoma fluora na aromatični prsten dovodi do 
povećanog afiniteta, usled stvaranja dodatnih C–H∙∙∙F interakcija. Dodatno, ova studija je 
proširena na hlorovane i bromovane derivate. Analizom kristalnog pakovanja četiri derivata spirohidantoina (slika) pokazano je da orijentacija aromatičnog prstena, koja je preko rotabilne 
C(aromatični)–C(karbonilni) veze odvojena od rigidnog spirohidantoinskog jezgra, određuje
trodimenzionalnu supramolekulsku arhitekturu. Energijski profil rotabilne veze (slika) jako zavisi 
od vrste halogenog atoma vezanog za aromatični prsten (X). Najvišu barijeru (najmanju rotacionu 
slobodu) ima aromatični prsten sa Br atomom (oko 36 kcal/mol), dok najnižu barijeru imaju 
prstenovi sa vezanim Cl ili F atomom (oko 7 kcal/mol). Izmerene vrednosti torzionog ugla T 
(slika) u kristalnim stukturama, koji definiše rotabilnost ove veze, odgovaraju minimumima energije na energijskim profilima. Kod ovih orijentacija aromatični prstenovi istovremeno grade C–
H...π interakcije sa hidantoinskim prstenom i C–H...O interakciju sa karbonilnom grupom koja 
premošćuje dva prstena. Na osnovu ovih rezultata može se zaključiti da su orijentacije aromatičnog prstena određene unutarmolekulskim interakcijama, a ne međumolekulskim interakcijama, kao i da su konformacione razlike uzrok razlika u kristalnom pakovanju ovih jedinjenja.
AB  - The crystallographic and quantum chemical study, focused on the effects of fluorination of the 
benzoyl group bound to the spirohydantoin moiety, showed that the aromatic ring has the highest 
affinity towards the cyclohexene ring (nonpolar groups), thus forming C–H∙∙∙π and parallel interactions at large offset. Introduction of a fluorine atom into the aromatic ring leads to higher affinity, due to formation of additional C–H∙∙∙F interactions. Subsequently, the present study has been extended to chlorinated and brominated derivatives. An analysis of the crystal packaging of four spirohydantoin derivatives has shown that the orientation of the aromatic ring, bound to the rigid spirohydantoin moiety by the rotatable C(aromatic)–C(carbonyl) bond, determines the three-dimensional supramolecular architecture. The energy profile of the rotatable bond (Figure) strongly depends on the halogen atom bound to the aromatic ring (X). The highest barrier (the lowest rotational freedom) has been found for the aromatic ring with the Br atom (36 kcal/mol), while the rings with the Cl or F atom have the lowest barrier (7 kcal/mol). The measured values of the torsion angle T in the crystal structures which defines the rotability of the mentioned bond, correspond to the energy minima on the energy profiles. In these orientations, the aromatic ring simultaneously forms C–H...π interactions with the hydantoin ring and C–H...O interaction with the carbonyl spacer group. Based on these results, one can conclude that the orientation of the aromatic ring is defined by intramolecular interactions, not by intermolecular interactions, as well as that the conformational differences further cause differences in the crystal packaging of these compounds.
PB  - Serbian Crystallographic Society
C3  - Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
T1  - Uticaj halogenovanja aromatičnog prstena na konformaciju spirohidantoinskih jedinjenja
T1  - Influence of halogenation of aromatic ring on the conformation of spirohydantoin compounds
SP  - 34
EP  - 35
UR  - https://hdl.handle.net/21.15107/rcub_cer_7127
ER  - 

@conference{
author = "Janjić, Goran and Đorđević, Ivana and Lazić, Anita and Radovanović, Lidija and Petković-Benazzouz, Marija and Rogan, Jelena and Trišović, Nemanja",
year = "2021",
abstract = "Kristalografska i kvantnohemijska studija, koja je usmerena na proučavanje efekata fluorovanja benzoil-grupe vezane za cikloheksan-5-spirohidantoin, pokazala je da aromatični prsten ima najveći afinitet prema cikloheksanskom prstenu (nepolarnim grupama), sa kojim gradi C–H∙∙∙π i 
paralelne interakcije sa velikim pomakom. Uvođenje atoma fluora na aromatični prsten dovodi do 
povećanog afiniteta, usled stvaranja dodatnih C–H∙∙∙F interakcija. Dodatno, ova studija je 
proširena na hlorovane i bromovane derivate. Analizom kristalnog pakovanja četiri derivata spirohidantoina (slika) pokazano je da orijentacija aromatičnog prstena, koja je preko rotabilne 
C(aromatični)–C(karbonilni) veze odvojena od rigidnog spirohidantoinskog jezgra, određuje
trodimenzionalnu supramolekulsku arhitekturu. Energijski profil rotabilne veze (slika) jako zavisi 
od vrste halogenog atoma vezanog za aromatični prsten (X). Najvišu barijeru (najmanju rotacionu 
slobodu) ima aromatični prsten sa Br atomom (oko 36 kcal/mol), dok najnižu barijeru imaju 
prstenovi sa vezanim Cl ili F atomom (oko 7 kcal/mol). Izmerene vrednosti torzionog ugla T 
(slika) u kristalnim stukturama, koji definiše rotabilnost ove veze, odgovaraju minimumima energije na energijskim profilima. Kod ovih orijentacija aromatični prstenovi istovremeno grade C–
H...π interakcije sa hidantoinskim prstenom i C–H...O interakciju sa karbonilnom grupom koja 
premošćuje dva prstena. Na osnovu ovih rezultata može se zaključiti da su orijentacije aromatičnog prstena određene unutarmolekulskim interakcijama, a ne međumolekulskim interakcijama, kao i da su konformacione razlike uzrok razlika u kristalnom pakovanju ovih jedinjenja., The crystallographic and quantum chemical study, focused on the effects of fluorination of the 
benzoyl group bound to the spirohydantoin moiety, showed that the aromatic ring has the highest 
affinity towards the cyclohexene ring (nonpolar groups), thus forming C–H∙∙∙π and parallel interactions at large offset. Introduction of a fluorine atom into the aromatic ring leads to higher affinity, due to formation of additional C–H∙∙∙F interactions. Subsequently, the present study has been extended to chlorinated and brominated derivatives. An analysis of the crystal packaging of four spirohydantoin derivatives has shown that the orientation of the aromatic ring, bound to the rigid spirohydantoin moiety by the rotatable C(aromatic)–C(carbonyl) bond, determines the three-dimensional supramolecular architecture. The energy profile of the rotatable bond (Figure) strongly depends on the halogen atom bound to the aromatic ring (X). The highest barrier (the lowest rotational freedom) has been found for the aromatic ring with the Br atom (36 kcal/mol), while the rings with the Cl or F atom have the lowest barrier (7 kcal/mol). The measured values of the torsion angle T in the crystal structures which defines the rotability of the mentioned bond, correspond to the energy minima on the energy profiles. In these orientations, the aromatic ring simultaneously forms C–H...π interactions with the hydantoin ring and C–H...O interaction with the carbonyl spacer group. Based on these results, one can conclude that the orientation of the aromatic ring is defined by intramolecular interactions, not by intermolecular interactions, as well as that the conformational differences further cause differences in the crystal packaging of these compounds.",
publisher = "Serbian Crystallographic Society",
journal = "Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac",
title = "Uticaj halogenovanja aromatičnog prstena na konformaciju spirohidantoinskih jedinjenja, Influence of halogenation of aromatic ring on the conformation of spirohydantoin compounds",
pages = "34-35",
url = "https://hdl.handle.net/21.15107/rcub_cer_7127"
}

Janjić, G., Đorđević, I., Lazić, A., Radovanović, L., Petković-Benazzouz, M., Rogan, J.,& Trišović, N.. (2021). Uticaj halogenovanja aromatičnog prstena na konformaciju spirohidantoinskih jedinjenja. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac
Serbian Crystallographic Society., 34-35.
https://hdl.handle.net/21.15107/rcub_cer_7127

Janjić G, Đorđević I, Lazić A, Radovanović L, Petković-Benazzouz M, Rogan J, Trišović N. Uticaj halogenovanja aromatičnog prstena na konformaciju spirohidantoinskih jedinjenja. in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac. 2021;:34-35.
https://hdl.handle.net/21.15107/rcub_cer_7127 .

Janjić, Goran, Đorđević, Ivana, Lazić, Anita, Radovanović, Lidija, Petković-Benazzouz, Marija, Rogan, Jelena, Trišović, Nemanja, "Uticaj halogenovanja aromatičnog prstena na konformaciju spirohidantoinskih jedinjenja" in Изводи радова - XXVII Конференција Српског кристалографског друштва, Крагујевац / Abstracts - 27th Conference of the Serbian crystallographic society , Kragujevac (2021):34-35,
https://hdl.handle.net/21.15107/rcub_cer_7127 .

TY  - JOUR
AU  - Lović, Jelena
AU  - Lađarević, Jelena
AU  - Trišović, Nemanja
AU  - Andrić, Filip
AU  - Mladenović, Aleksandar R.
AU  - Mijin, Dušan
AU  - Vuković, Dragan
AU  - Petrović, Slobodan D.
AU  - Avramov Ivić, Milka
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4246
AB  - The electrochemical characterization of sertraline at gold electrode was examined by cyclic voltammetry measurements (CV) in pH 8.4 bicarbonate buffer. Then Au electrode was evaluated for the quantitative determination of sertraline using square wave voltammetry (SWV). To enhance the sensitivity during the drug determination, (2-hydroxypropyl)-β-cyclodextrin
(HPβCD) and β-cyclodextrin (βCD) inclusion complexes were employed. Using the proposed SWV technique, the anodic current peak was linear within a concentration range of 0.1–0.5 μM with a limit of detection (LOD) of 2.0 × 10–8 M and a limit of quantification (LOQ) of 6.7 × 10–8 M. In the case of inclusion complex of the sertraline with HPβCD, a good linearity range of 0.1–0.9 μM was obtained with a LOD of 2.6 × 10–8 M and a LOQ of 8.8 × 10–8 M. The gold electrode
revealed the same linearity range for inclusion complex of the sertraline with βCD with a LOD and a LOQ being 2.6 × 10–8 and 8.6 × 10–8 M, respectively. Comparing the regression equations, it can be concluded that the sensitivity in the presence of inclusion complex can be up to 5 times higher. The applicability of the developed method was confirmed by the analysis of this drug in pharmaceutical formulation and in human serum spiked with sertraline standard. The comparison to HPLC method was successfully performed.
PB  - Springer
T2  - Monatshefte für Chemie - Chemical Monthly
T1  - Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution
SP  - 185
EP  - 192
DO  - 10.1007/s00706-021-02745-3
ER  - 

@article{
author = "Lović, Jelena and Lađarević, Jelena and Trišović, Nemanja and Andrić, Filip and Mladenović, Aleksandar R. and Mijin, Dušan and Vuković, Dragan and Petrović, Slobodan D. and Avramov Ivić, Milka",
year = "2021",
abstract = "The electrochemical characterization of sertraline at gold electrode was examined by cyclic voltammetry measurements (CV) in pH 8.4 bicarbonate buffer. Then Au electrode was evaluated for the quantitative determination of sertraline using square wave voltammetry (SWV). To enhance the sensitivity during the drug determination, (2-hydroxypropyl)-β-cyclodextrin
(HPβCD) and β-cyclodextrin (βCD) inclusion complexes were employed. Using the proposed SWV technique, the anodic current peak was linear within a concentration range of 0.1–0.5 μM with a limit of detection (LOD) of 2.0 × 10–8 M and a limit of quantification (LOQ) of 6.7 × 10–8 M. In the case of inclusion complex of the sertraline with HPβCD, a good linearity range of 0.1–0.9 μM was obtained with a LOD of 2.6 × 10–8 M and a LOQ of 8.8 × 10–8 M. The gold electrode
revealed the same linearity range for inclusion complex of the sertraline with βCD with a LOD and a LOQ being 2.6 × 10–8 and 8.6 × 10–8 M, respectively. Comparing the regression equations, it can be concluded that the sensitivity in the presence of inclusion complex can be up to 5 times higher. The applicability of the developed method was confirmed by the analysis of this drug in pharmaceutical formulation and in human serum spiked with sertraline standard. The comparison to HPLC method was successfully performed.",
publisher = "Springer",
journal = "Monatshefte für Chemie - Chemical Monthly",
title = "Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution",
pages = "185-192",
doi = "10.1007/s00706-021-02745-3"
}

Lović, J., Lađarević, J., Trišović, N., Andrić, F., Mladenović, A. R., Mijin, D., Vuković, D., Petrović, S. D.,& Avramov Ivić, M.. (2021). Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution. in Monatshefte für Chemie - Chemical Monthly
Springer., 185-192.
https://doi.org/10.1007/s00706-021-02745-3

Lović J, Lađarević J, Trišović N, Andrić F, Mladenović AR, Mijin D, Vuković D, Petrović SD, Avramov Ivić M. Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution. in Monatshefte für Chemie - Chemical Monthly. 2021;:185-192.
doi:10.1007/s00706-021-02745-3 .

Lović, Jelena, Lađarević, Jelena, Trišović, Nemanja, Andrić, Filip, Mladenović, Aleksandar R., Mijin, Dušan, Vuković, Dragan, Petrović, Slobodan D., Avramov Ivić, Milka, "Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution" in Monatshefte für Chemie - Chemical Monthly (2021):185-192,
https://doi.org/10.1007/s00706-021-02745-3 . .

TY  - JOUR
AU  - Gak Simić, Kristina
AU  - Đorđević, Ivana S.
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Petković-Benazzouz, Marija
AU  - Rogan, Jelena R.
AU  - Trišović, Nemanja
AU  - Janjić, Goran
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4678
AB  - The quantitative assessment of intermolecular interactions and their cooperative effects has been performed in spirohydantoin-based model compounds, 3-benzoyl-1,3-diazaspiro[4.5]decane-2,4-dione (1) and 3-(4-fluorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione (2), through single crystal X-ray crystallography and quantum chemical studies. In both crystal structures, molecules generate the same hydrogen-bonded centrosymmetric R22(8) synthon. The extended supramolecular architectures depend on the C-HO, C-Hπ, stacking interactions and parallel interactions at large offsets, which lead to molecular sheets and further, with the assistance of the C-HF interaction in the case of2, to three-dimensional networks. Electrostatic potential maps have indicated that formation of the intermolecular FF interaction in the crystal structure of2results in a new region with a larger surface area and a higher negative potential in comparison to the individual fluorine atoms. Establishment of this interaction leads to strengthening of the interaction of one of the fluorine atoms with a third molecule from the environment which does not interact with both of them. When this third molecule interacts with both fluorine atoms simultaneously, the calculations have shown that the effect of strengthening of the individual interactions due to formation of the FF interaction is absent.
PB  - Royal Society of Chemistry
T2  - CrystEngComm
T1  - On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives
VL  - 23
IS  - 13
SP  - 2606
EP  - 2622
DO  - 10.1039/d0ce01841d
ER  - 

@article{
author = "Gak Simić, Kristina and Đorđević, Ivana S. and Lazić, Anita M. and Radovanović, Lidija D. and Petković-Benazzouz, Marija and Rogan, Jelena R. and Trišović, Nemanja and Janjić, Goran",
year = "2021",
abstract = "The quantitative assessment of intermolecular interactions and their cooperative effects has been performed in spirohydantoin-based model compounds, 3-benzoyl-1,3-diazaspiro[4.5]decane-2,4-dione (1) and 3-(4-fluorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione (2), through single crystal X-ray crystallography and quantum chemical studies. In both crystal structures, molecules generate the same hydrogen-bonded centrosymmetric R22(8) synthon. The extended supramolecular architectures depend on the C-HO, C-Hπ, stacking interactions and parallel interactions at large offsets, which lead to molecular sheets and further, with the assistance of the C-HF interaction in the case of2, to three-dimensional networks. Electrostatic potential maps have indicated that formation of the intermolecular FF interaction in the crystal structure of2results in a new region with a larger surface area and a higher negative potential in comparison to the individual fluorine atoms. Establishment of this interaction leads to strengthening of the interaction of one of the fluorine atoms with a third molecule from the environment which does not interact with both of them. When this third molecule interacts with both fluorine atoms simultaneously, the calculations have shown that the effect of strengthening of the individual interactions due to formation of the FF interaction is absent.",
publisher = "Royal Society of Chemistry",
journal = "CrystEngComm",
title = "On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives",
volume = "23",
number = "13",
pages = "2606-2622",
doi = "10.1039/d0ce01841d"
}

Gak Simić, K., Đorđević, I. S., Lazić, A. M., Radovanović, L. D., Petković-Benazzouz, M., Rogan, J. R., Trišović, N.,& Janjić, G.. (2021). On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives. in CrystEngComm
Royal Society of Chemistry., 23(13), 2606-2622.
https://doi.org/10.1039/d0ce01841d

Gak Simić K, Đorđević IS, Lazić AM, Radovanović LD, Petković-Benazzouz M, Rogan JR, Trišović N, Janjić G. On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives. in CrystEngComm. 2021;23(13):2606-2622.
doi:10.1039/d0ce01841d .

Gak Simić, Kristina, Đorđević, Ivana S., Lazić, Anita M., Radovanović, Lidija D., Petković-Benazzouz, Marija, Rogan, Jelena R., Trišović, Nemanja, Janjić, Goran, "On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives" in CrystEngComm, 23, no. 13 (2021):2606-2622,
https://doi.org/10.1039/d0ce01841d . .

TY  - JOUR
AU  - Gak Simic, Kristina
AU  - Đorđević, Ivana
AU  - Janjić, Goran
AU  - Datz, Dániel
AU  - Tóth-Katona, Tibor
AU  - Trišović, Nemanja
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4814
AB  - A new liquid crystal dimer, 1,12-bis(4-(2-(4-nitrophenyl)ethenyl)phenoxy)dodecane, was synthesized and structurally characterized. The compound exhibited enantiotropic nematic phase. The spectroscopic properties were analysed by UV–Vis and fluorescence techniques. Theoretical calculations were used to predict the UV–Vis spectral properties of three isomers and propose a mechanism of conversion between them. The obtained results present a solid basis for the future studies on the stilbene-based liquid crystal dimers, thus affording guidelines for development of a structure–property relationship of these compounds.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - On the photophysical properties of a liquid crystal dimer based on 4-nitrostilbene: A combined experimental and theoretical study
VL  - 339
SP  - 116969
DO  - 10.1016/j.molliq.2021.116969
ER  - 

@article{
author = "Gak Simic, Kristina and Đorđević, Ivana and Janjić, Goran and Datz, Dániel and Tóth-Katona, Tibor and Trišović, Nemanja",
year = "2021",
abstract = "A new liquid crystal dimer, 1,12-bis(4-(2-(4-nitrophenyl)ethenyl)phenoxy)dodecane, was synthesized and structurally characterized. The compound exhibited enantiotropic nematic phase. The spectroscopic properties were analysed by UV–Vis and fluorescence techniques. Theoretical calculations were used to predict the UV–Vis spectral properties of three isomers and propose a mechanism of conversion between them. The obtained results present a solid basis for the future studies on the stilbene-based liquid crystal dimers, thus affording guidelines for development of a structure–property relationship of these compounds.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "On the photophysical properties of a liquid crystal dimer based on 4-nitrostilbene: A combined experimental and theoretical study",
volume = "339",
pages = "116969",
doi = "10.1016/j.molliq.2021.116969"
}

Gak Simic, K., Đorđević, I., Janjić, G., Datz, D., Tóth-Katona, T.,& Trišović, N.. (2021). On the photophysical properties of a liquid crystal dimer based on 4-nitrostilbene: A combined experimental and theoretical study. in Journal of Molecular Liquids
Elsevier., 339, 116969.
https://doi.org/10.1016/j.molliq.2021.116969

Gak Simic K, Đorđević I, Janjić G, Datz D, Tóth-Katona T, Trišović N. On the photophysical properties of a liquid crystal dimer based on 4-nitrostilbene: A combined experimental and theoretical study. in Journal of Molecular Liquids. 2021;339:116969.
doi:10.1016/j.molliq.2021.116969 .

Gak Simic, Kristina, Đorđević, Ivana, Janjić, Goran, Datz, Dániel, Tóth-Katona, Tibor, Trišović, Nemanja, "On the photophysical properties of a liquid crystal dimer based on 4-nitrostilbene: A combined experimental and theoretical study" in Journal of Molecular Liquids, 339 (2021):116969,
https://doi.org/10.1016/j.molliq.2021.116969 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Đorđević, Ivana
AU  - Radovanović, Lidija
AU  - Popović, Dragan
AU  - Rogan, Jelena R.
AU  - Janjić, Goran
AU  - Trišović, Nemanja
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3638
AB  - A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and a 4-methoxybenzyl unit, was synthesized and its crystal structure was determined. To define the relationship between molecular stereochemistry and spatial association modes, development of the crystal packing was analyzed through cooperativity of intermolecular interactions. Homo and heterochiral dimeric motifs were stabilized by intermolecular N−H⋅⋅⋅O, C−H⋅⋅⋅O, C−H⋅⋅⋅π interactions and parallel interactions at large offsets (PILO), thus forming alternating double layers. The greatest contribution to the total stabilization came from a motif of opposite enantiomers linked by N−H⋅⋅⋅O bonds (interaction energy=−13.72 kcal/mol), followed by a homochiral motif where the 4-methoxybenzyl units allowed C−H⋅⋅⋅π, C−H⋅⋅⋅O interactions and PILO (interaction energy=−11.56 kcal/mol). The number of the contact fragments in the environment of the tetralin unit was larger, but the 4-methoxybenzyl unit had greater contribution to the total stabilization. The statistical analysis of the data from the Cambridge Structural Database (CSD) showed that this is a general trend. The compound is a potential inhibitor of kinase enzymes and antigen protein-coupled receptors. A correlation between the docking study and the results of the CSD analysis can be drawn. Due to a greater flexibility, the 4-methoxybenzyl unit is more adaptable for interactions with the biological targets than the tetralin unit.
PB  - John Wiley and Sons Inc
T2  - ChemPlusChem
T1  - Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions
VL  - 85
IS  - 6
SP  - 1220
EP  - 1232
DO  - 10.1002/cplu.202000273
ER  - 

@article{
author = "Lazić, Anita M. and Đorđević, Ivana and Radovanović, Lidija and Popović, Dragan and Rogan, Jelena R. and Janjić, Goran and Trišović, Nemanja",
year = "2020",
abstract = "A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and a 4-methoxybenzyl unit, was synthesized and its crystal structure was determined. To define the relationship between molecular stereochemistry and spatial association modes, development of the crystal packing was analyzed through cooperativity of intermolecular interactions. Homo and heterochiral dimeric motifs were stabilized by intermolecular N−H⋅⋅⋅O, C−H⋅⋅⋅O, C−H⋅⋅⋅π interactions and parallel interactions at large offsets (PILO), thus forming alternating double layers. The greatest contribution to the total stabilization came from a motif of opposite enantiomers linked by N−H⋅⋅⋅O bonds (interaction energy=−13.72 kcal/mol), followed by a homochiral motif where the 4-methoxybenzyl units allowed C−H⋅⋅⋅π, C−H⋅⋅⋅O interactions and PILO (interaction energy=−11.56 kcal/mol). The number of the contact fragments in the environment of the tetralin unit was larger, but the 4-methoxybenzyl unit had greater contribution to the total stabilization. The statistical analysis of the data from the Cambridge Structural Database (CSD) showed that this is a general trend. The compound is a potential inhibitor of kinase enzymes and antigen protein-coupled receptors. A correlation between the docking study and the results of the CSD analysis can be drawn. Due to a greater flexibility, the 4-methoxybenzyl unit is more adaptable for interactions with the biological targets than the tetralin unit.",
publisher = "John Wiley and Sons Inc",
journal = "ChemPlusChem",
title = "Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions",
volume = "85",
number = "6",
pages = "1220-1232",
doi = "10.1002/cplu.202000273"
}

Lazić, A. M., Đorđević, I., Radovanović, L., Popović, D., Rogan, J. R., Janjić, G.,& Trišović, N.. (2020). Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions. in ChemPlusChem
John Wiley and Sons Inc., 85(6), 1220-1232.
https://doi.org/10.1002/cplu.202000273

Lazić AM, Đorđević I, Radovanović L, Popović D, Rogan JR, Janjić G, Trišović N. Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions. in ChemPlusChem. 2020;85(6):1220-1232.
doi:10.1002/cplu.202000273 .

Lazić, Anita M., Đorđević, Ivana, Radovanović, Lidija, Popović, Dragan, Rogan, Jelena R., Janjić, Goran, Trišović, Nemanja, "Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions" in ChemPlusChem, 85, no. 6 (2020):1220-1232,
https://doi.org/10.1002/cplu.202000273 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Đorđević, Ivana
AU  - Radovanović, Lidija
AU  - Popović, Dragan
AU  - Rogan, Jelena R.
AU  - Janjić, Goran
AU  - Trišović, Nemanja
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3716
AB  - A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and a 4-methoxybenzyl unit, was synthesized and its crystal structure was determined. To define the relationship between molecular stereochemistry and spatial association modes, development of the crystal packing was analyzed through cooperativity of intermolecular interactions. Homo and heterochiral dimeric motifs were stabilized by intermolecular N−H⋅⋅⋅O, C−H⋅⋅⋅O, C−H⋅⋅⋅π interactions and parallel interactions at large offsets (PILO), thus forming alternating double layers. The greatest contribution to the total stabilization came from a motif of opposite enantiomers linked by N−H⋅⋅⋅O bonds (interaction energy=−13.72 kcal/mol), followed by a homochiral motif where the 4-methoxybenzyl units allowed C−H⋅⋅⋅π, C−H⋅⋅⋅O interactions and PILO (interaction energy=−11.56 kcal/mol). The number of the contact fragments in the environment of the tetralin unit was larger, but the 4-methoxybenzyl unit had greater contribution to the total stabilization. The statistical analysis of the data from the Cambridge Structural Database (CSD) showed that this is a general trend. The compound is a potential inhibitor of kinase enzymes and antigen protein-coupled receptors. A correlation between the docking study and the results of the CSD analysis can be drawn. Due to a greater flexibility, the 4-methoxybenzyl unit is more adaptable for interactions with the biological targets than the tetralin unit.
PB  - John Wiley and Sons Inc.
T2  - ChemPlusChem
T1  - Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions
VL  - 85
IS  - 6
SP  - 1220
EP  - 1232
DO  - 10.1002/cplu.202000273
ER  - 

@article{
author = "Lazić, Anita M. and Đorđević, Ivana and Radovanović, Lidija and Popović, Dragan and Rogan, Jelena R. and Janjić, Goran and Trišović, Nemanja",
year = "2020",
abstract = "A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and a 4-methoxybenzyl unit, was synthesized and its crystal structure was determined. To define the relationship between molecular stereochemistry and spatial association modes, development of the crystal packing was analyzed through cooperativity of intermolecular interactions. Homo and heterochiral dimeric motifs were stabilized by intermolecular N−H⋅⋅⋅O, C−H⋅⋅⋅O, C−H⋅⋅⋅π interactions and parallel interactions at large offsets (PILO), thus forming alternating double layers. The greatest contribution to the total stabilization came from a motif of opposite enantiomers linked by N−H⋅⋅⋅O bonds (interaction energy=−13.72 kcal/mol), followed by a homochiral motif where the 4-methoxybenzyl units allowed C−H⋅⋅⋅π, C−H⋅⋅⋅O interactions and PILO (interaction energy=−11.56 kcal/mol). The number of the contact fragments in the environment of the tetralin unit was larger, but the 4-methoxybenzyl unit had greater contribution to the total stabilization. The statistical analysis of the data from the Cambridge Structural Database (CSD) showed that this is a general trend. The compound is a potential inhibitor of kinase enzymes and antigen protein-coupled receptors. A correlation between the docking study and the results of the CSD analysis can be drawn. Due to a greater flexibility, the 4-methoxybenzyl unit is more adaptable for interactions with the biological targets than the tetralin unit.",
publisher = "John Wiley and Sons Inc.",
journal = "ChemPlusChem",
title = "Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions",
volume = "85",
number = "6",
pages = "1220-1232",
doi = "10.1002/cplu.202000273"
}

Lazić, A. M., Đorđević, I., Radovanović, L., Popović, D., Rogan, J. R., Janjić, G.,& Trišović, N.. (2020). Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions. in ChemPlusChem
John Wiley and Sons Inc.., 85(6), 1220-1232.
https://doi.org/10.1002/cplu.202000273

Lazić AM, Đorđević I, Radovanović L, Popović D, Rogan JR, Janjić G, Trišović N. Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions. in ChemPlusChem. 2020;85(6):1220-1232.
doi:10.1002/cplu.202000273 .

Lazić, Anita M., Đorđević, Ivana, Radovanović, Lidija, Popović, Dragan, Rogan, Jelena R., Janjić, Goran, Trišović, Nemanja, "Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions" in ChemPlusChem, 85, no. 6 (2020):1220-1232,
https://doi.org/10.1002/cplu.202000273 . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Jelić, Stefan
AU  - Trišović, Nemanja
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3882
AB  - Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth and Design
T1  - New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures
VL  - 20
IS  - 5
SP  - 2943
EP  - 2951
DO  - 10.1021/acs.cgd.9b01565
ER  - 

@article{
author = "Janjić, Goran and Jelić, Stefan and Trišović, Nemanja and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš",
year = "2020",
abstract = "Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth and Design",
title = "New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures",
volume = "20",
number = "5",
pages = "2943-2951",
doi = "10.1021/acs.cgd.9b01565"
}

Janjić, G., Jelić, S., Trišović, N., Popović, D., Đorđević, I.,& Milčić, M.. (2020). New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth and Design
American Chemical Society (ACS)., 20(5), 2943-2951.
https://doi.org/10.1021/acs.cgd.9b01565

Janjić G, Jelić S, Trišović N, Popović D, Đorđević I, Milčić M. New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth and Design. 2020;20(5):2943-2951.
doi:10.1021/acs.cgd.9b01565 .

Janjić, Goran, Jelić, Stefan, Trišović, Nemanja, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, "New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures" in Crystal Growth and Design, 20, no. 5 (2020):2943-2951,
https://doi.org/10.1021/acs.cgd.9b01565 . .

TY  - CONF
AU  - Trišović, Nemanja
AU  - Jelić, Stefan
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
AU  - Janjić, Goran
PY  - 2020
UR  - https://qcrom2020.cs-campus.fr/event/
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4032
AB  - The results of the crystallographic analysis in combination with quantum chemical calculations have
shown that fluorination of organic compounds causes an increase in the proton-donating ability and a
decrease in the proton-accepting capacity of the groups in their neighbourhood1
. The establishment of
F∙∙∙F interactions causes the electron density to shift towards the area of F∙∙∙F contact, thus creating a
new region with a higher negative potential and the more pronounced accepting ability. This new
region has a larger surface area and it is able to form simultaneous interactions with species from the
crystal environment. This compensates the reduction of the accepting capacity of the groups in the
neigbourhood of the interacting F atoms. Taking into account the formation of this new region, not
only the abundance of F∙∙∙F interactions in the crystal structures (the second largest group of
interactions), but also a large number of structures with F∙∙∙O interactions (third largest group of
interactions) can be explained. Only the C–H∙∙∙F interactions are more numerous than F∙∙∙F
interactions, indicating an increased affinity of fluorinated compounds for non-polar groups.
PB  - Commission on Quantum Crystallography of IUCr
C3  - Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020
T1  - Fluorination as a Driving Force in Crystal Structures
SP  - 35
UR  - https://hdl.handle.net/21.15107/rcub_cer_4032
ER  - 

@conference{
author = "Trišović, Nemanja and Jelić, Stefan and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš and Janjić, Goran",
year = "2020",
abstract = "The results of the crystallographic analysis in combination with quantum chemical calculations have
shown that fluorination of organic compounds causes an increase in the proton-donating ability and a
decrease in the proton-accepting capacity of the groups in their neighbourhood1
. The establishment of
F∙∙∙F interactions causes the electron density to shift towards the area of F∙∙∙F contact, thus creating a
new region with a higher negative potential and the more pronounced accepting ability. This new
region has a larger surface area and it is able to form simultaneous interactions with species from the
crystal environment. This compensates the reduction of the accepting capacity of the groups in the
neigbourhood of the interacting F atoms. Taking into account the formation of this new region, not
only the abundance of F∙∙∙F interactions in the crystal structures (the second largest group of
interactions), but also a large number of structures with F∙∙∙O interactions (third largest group of
interactions) can be explained. Only the C–H∙∙∙F interactions are more numerous than F∙∙∙F
interactions, indicating an increased affinity of fluorinated compounds for non-polar groups.",
publisher = "Commission on Quantum Crystallography of IUCr",
journal = "Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020",
title = "Fluorination as a Driving Force in Crystal Structures",
pages = "35",
url = "https://hdl.handle.net/21.15107/rcub_cer_4032"
}

Trišović, N., Jelić, S., Popović, D., Đorđević, I., Milčić, M.,& Janjić, G.. (2020). Fluorination as a Driving Force in Crystal Structures. in Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020
Commission on Quantum Crystallography of IUCr., 35.
https://hdl.handle.net/21.15107/rcub_cer_4032

Trišović N, Jelić S, Popović D, Đorđević I, Milčić M, Janjić G. Fluorination as a Driving Force in Crystal Structures. in Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020. 2020;:35.
https://hdl.handle.net/21.15107/rcub_cer_4032 .

Trišović, Nemanja, Jelić, Stefan, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, Janjić, Goran, "Fluorination as a Driving Force in Crystal Structures" in Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020 (2020):35,
https://hdl.handle.net/21.15107/rcub_cer_4032 .

TY  - CONF
AU  - Đorđević, Ivana
AU  - Janjić, Goran
AU  - Lazić, Anita
AU  - Gak, Kristina
AU  - Valentić, Nataša
AU  - Trišović, Nemanja
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7541
AB  - Nekovalentne interakcije imaju značajnu ulogu u formiranju supramolekulskogkristalnog pakovanja molekula. Interakcije koje uključuju atome halogena obezbeđujuslabo, ali visoko usmerenu kontrolu pakovanja molekula u čvrstom stanju. UvođenjeF-atoma može dovesti do značajnih promena u 2D ili 3D strukturama [1], povećanjastabilnosti biomolekula [2] ili poboljšanja dizajna lekova [3]. Da bi se ispitao efekatsupstitucije H-atoma F-atomom, sintetisana su i strukturno okarakterisana dva derivatahidantoina: C15H16N2O3 (1) i C15H15N2O3F (2) (slika).Analiza kristalnih pakovanja 1 i 2 pokazala je da suNH…O i CH…O vodonične veze najbrojnije. U strukturi2 se zbog fluorovanja povećava broj interakcijacikloheksilnog (Ch) i fenil-grupe (Ph) prstena (CH…πinterakcije), kao i između dva Ph prstena (π-πinterakcije). Kvantno-hemijski proračuni na modelsistemima koji predstavljaju dimere derivata hidantoinai izolovanih cikličnih jedinjenja, pokazali su dafluorovanje utiče na stvaranje jačih CH…π i π-πinterakcija. Atom F u 2 učestvuje u formiranju triCH…F i jedne F…F interakcije, što je u saglasnosti sarezultatima Kembridžke baze podataka, koji su pokazalida su najbrojnije CH…F i F…F interakcije, a njihovajačina dostiže vrednost 2 kcal∙mol–1.Kristalogafski podaci: 1, P–1, a = 6,3079(13),b = 10,573(2), c = 11,415(2) Å, α = 67,21(3), β = 78,84(3),γ = 76,16(3)°, R1 = 6,06%; 2, P–1, a = 5,9981(12), b =11,148(2), c = 12,073(2) Å, α = 108,98(3), β = 101,57(3),γ = 105,27(3)°, R1 = 4,82%.
AB  - Non-covalent interactions have a significant role in supramolecular crystal packingsof the molecules. Halogen interactions provide weak but highly directed control of thepacking of molecules in the solid state. Introduction of F atom can leads to significantdifferences in 2D or 3D structures [1], higher structural stability of biomolecules [2] orimprove drug design [3]. In order to examine the substitution effect of H atom with Fatom, two hydantoin derivatives were synthesized and structurally characterized:C15H16N2O3 (1) i C15H15N2O3F (2) (Figure).Crystallographic analysis of 1 and 2 showed thatNH…O and CH…O hydrogen bonds are the most numerousin their crystal packings. Due to fluoridation in 2, the number of interactions among cyclohexyl (Ch) and phenyl ring(Ph) rings (CH…π interactions), as well as among two Phrings (π-π interactions) is increased. Quantum-chemicalcalculations on the model systems presented by dimmersof hydantoin derivatives and isolated cyclic compounds,verified that fluoridation caused the formation of strongerCH…π and π-π interactions. The F atom in 2 is involved inthree CH…F and one F…F interactions, which is in agreement with the results from the Cambridge Structural Database, which have shown that CH…F and F…F interactionsare the most numerous, and their strength reaches the valueof 2 kcal∙mol–1.Crystallographic data: 1, P–1, a = 6.3079(13),b = 10.573(2), c = 11.415(2) Å, α = 67.21(3), β = 78.84(3),γ = 76.16(3)°, R1 = 6.06%; 2, P–1, a = 5.9981(12),b = 11.148(2), c = 12.073(2) Å, α = 108.98(3), β = 101.57(3), γ = 105.27(3)°, R1 = 4.82%.
PB  - Beograd : Srpsko kristalografsko društvo
C3  - Izvodi radova / XXVI konferencija Srpskog kristalografskog društva, Srebrno jezero, 27–28. jun 2019
T1  - Uloga nekovalentnih interakcija fluora u pakovanju motiva: analiza kristalografskih podataka i kvantno-hemijski proračuni
T1  - The role of non-covalent fluorine interactions in packing motifs: crystallographic data analysis and quantum chemical calculations
SP  - 38
EP  - 39
UR  - https://hdl.handle.net/21.15107/rcub_cer_7541
ER  - 

@conference{
author = "Đorđević, Ivana and Janjić, Goran and Lazić, Anita and Gak, Kristina and Valentić, Nataša and Trišović, Nemanja and Radovanović, Lidija and Rogan, Jelena",
year = "2019",
abstract = "Nekovalentne interakcije imaju značajnu ulogu u formiranju supramolekulskogkristalnog pakovanja molekula. Interakcije koje uključuju atome halogena obezbeđujuslabo, ali visoko usmerenu kontrolu pakovanja molekula u čvrstom stanju. UvođenjeF-atoma može dovesti do značajnih promena u 2D ili 3D strukturama [1], povećanjastabilnosti biomolekula [2] ili poboljšanja dizajna lekova [3]. Da bi se ispitao efekatsupstitucije H-atoma F-atomom, sintetisana su i strukturno okarakterisana dva derivatahidantoina: C15H16N2O3 (1) i C15H15N2O3F (2) (slika).Analiza kristalnih pakovanja 1 i 2 pokazala je da suNH…O i CH…O vodonične veze najbrojnije. U strukturi2 se zbog fluorovanja povećava broj interakcijacikloheksilnog (Ch) i fenil-grupe (Ph) prstena (CH…πinterakcije), kao i između dva Ph prstena (π-πinterakcije). Kvantno-hemijski proračuni na modelsistemima koji predstavljaju dimere derivata hidantoinai izolovanih cikličnih jedinjenja, pokazali su dafluorovanje utiče na stvaranje jačih CH…π i π-πinterakcija. Atom F u 2 učestvuje u formiranju triCH…F i jedne F…F interakcije, što je u saglasnosti sarezultatima Kembridžke baze podataka, koji su pokazalida su najbrojnije CH…F i F…F interakcije, a njihovajačina dostiže vrednost 2 kcal∙mol–1.Kristalogafski podaci: 1, P–1, a = 6,3079(13),b = 10,573(2), c = 11,415(2) Å, α = 67,21(3), β = 78,84(3),γ = 76,16(3)°, R1 = 6,06%; 2, P–1, a = 5,9981(12), b =11,148(2), c = 12,073(2) Å, α = 108,98(3), β = 101,57(3),γ = 105,27(3)°, R1 = 4,82%., Non-covalent interactions have a significant role in supramolecular crystal packingsof the molecules. Halogen interactions provide weak but highly directed control of thepacking of molecules in the solid state. Introduction of F atom can leads to significantdifferences in 2D or 3D structures [1], higher structural stability of biomolecules [2] orimprove drug design [3]. In order to examine the substitution effect of H atom with Fatom, two hydantoin derivatives were synthesized and structurally characterized:C15H16N2O3 (1) i C15H15N2O3F (2) (Figure).Crystallographic analysis of 1 and 2 showed thatNH…O and CH…O hydrogen bonds are the most numerousin their crystal packings. Due to fluoridation in 2, the number of interactions among cyclohexyl (Ch) and phenyl ring(Ph) rings (CH…π interactions), as well as among two Phrings (π-π interactions) is increased. Quantum-chemicalcalculations on the model systems presented by dimmersof hydantoin derivatives and isolated cyclic compounds,verified that fluoridation caused the formation of strongerCH…π and π-π interactions. The F atom in 2 is involved inthree CH…F and one F…F interactions, which is in agreement with the results from the Cambridge Structural Database, which have shown that CH…F and F…F interactionsare the most numerous, and their strength reaches the valueof 2 kcal∙mol–1.Crystallographic data: 1, P–1, a = 6.3079(13),b = 10.573(2), c = 11.415(2) Å, α = 67.21(3), β = 78.84(3),γ = 76.16(3)°, R1 = 6.06%; 2, P–1, a = 5.9981(12),b = 11.148(2), c = 12.073(2) Å, α = 108.98(3), β = 101.57(3), γ = 105.27(3)°, R1 = 4.82%.",
publisher = "Beograd : Srpsko kristalografsko društvo",
journal = "Izvodi radova / XXVI konferencija Srpskog kristalografskog društva, Srebrno jezero, 27–28. jun 2019",
title = "Uloga nekovalentnih interakcija fluora u pakovanju motiva: analiza kristalografskih podataka i kvantno-hemijski proračuni, The role of non-covalent fluorine interactions in packing motifs: crystallographic data analysis and quantum chemical calculations",
pages = "38-39",
url = "https://hdl.handle.net/21.15107/rcub_cer_7541"
}

Đorđević, I., Janjić, G., Lazić, A., Gak, K., Valentić, N., Trišović, N., Radovanović, L.,& Rogan, J.. (2019). Uloga nekovalentnih interakcija fluora u pakovanju motiva: analiza kristalografskih podataka i kvantno-hemijski proračuni. in Izvodi radova / XXVI konferencija Srpskog kristalografskog društva, Srebrno jezero, 27–28. jun 2019
Beograd : Srpsko kristalografsko društvo., 38-39.
https://hdl.handle.net/21.15107/rcub_cer_7541

Đorđević I, Janjić G, Lazić A, Gak K, Valentić N, Trišović N, Radovanović L, Rogan J. Uloga nekovalentnih interakcija fluora u pakovanju motiva: analiza kristalografskih podataka i kvantno-hemijski proračuni. in Izvodi radova / XXVI konferencija Srpskog kristalografskog društva, Srebrno jezero, 27–28. jun 2019. 2019;:38-39.
https://hdl.handle.net/21.15107/rcub_cer_7541 .

Đorđević, Ivana, Janjić, Goran, Lazić, Anita, Gak, Kristina, Valentić, Nataša, Trišović, Nemanja, Radovanović, Lidija, Rogan, Jelena, "Uloga nekovalentnih interakcija fluora u pakovanju motiva: analiza kristalografskih podataka i kvantno-hemijski proračuni" in Izvodi radova / XXVI konferencija Srpskog kristalografskog društva, Srebrno jezero, 27–28. jun 2019 (2019):38-39,
https://hdl.handle.net/21.15107/rcub_cer_7541 .

TY  - JOUR
AU  - Avramov Ivić, Milka
AU  - Lović, Jelena
AU  - Stevanović, Sanja
AU  - Nikolić, Nebojša D.
AU  - Trišović, Nemanja
AU  - Lađarević, Jelena
AU  - Vuković, Dragan
AU  - Drmanić, Saša Ž.
AU  - Mladenović, Aleksandar R.
AU  - Jadranin, Milka
AU  - Petrović, Slobodan D.
AU  - Mijin, Dušan
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3062
AB  - Esomeprazole is the most effective of the proton-pump inhibitors for the acid-related diseases and at first was examined for the electroanalytical purposes. The drug standard and as a content of injection powder was investigated by cyclic voltammetry (CV) and quantitatively determined using square wave voltammetry (SWV) via its electrooxidation at Au electrode in 0.05 M NaHCO3. SWV showed a linear dependency of the anodic peak currents vs. esomeprazole standard concentrations in the range from 3.0 to 500 μg mL−1 with the values of limit of detection (LOD) and limit of quantification (LOQ): 1.4 and 4.6 μg mL−1, respectively. Using the constructed and validated calibration curve, the values of unknown esomeprazole concentrations in injection powder and in human serum spiked with standard were determined. Before the electrochemical oxidation, it was shown by atomic force microscopy (AFM) that the small esomeprazole islands formed inside holes were visible and their diameter was about 200 nm attributed to physico-chemical characteristics of esomeprazole. After the electrochemical oxidation, the morphology of esomeprazole standard on Au surface was completely changed and composed of spherical particles in a diameter between 200 and 600 nm. With esomeprazole suspended in human serum, the process of crystallization partly occurred in the form of spherical grains with the average size of these grains was about 4 μm. The analysis at the macro level done by the optical microscopy (OM) confirmed this opinion. The study of esomeprazole degradation showed that at Au electrode, after 3 h of cycling, a neglectable amount of the esomeprazole was changed. Using IrOx electrode under directed stress conditions, its almost complete degradation was realized after 3 h confirmed by high performance liquid chromatography (HPLC). Total organic carbon (TOC) analysis showed that 95% of esomeprazole was mineralized. The HPLC and Liquid chromatography-mass spectrometry (LC-MS) study revealed the formation of 4-hydroxy omeprazole sulphide, 4-hydroxy omeprazole sulphone, esomeprazole sulphone and methylated esomeprazole.
PB  - Elsevier
T2  - Journal of Electroanalytical Chemistry
T1  - Electrochemical behavior of esomeprazole: Its determination at Au electrode as standard and in injection powder combined with the study of its degradation
VL  - 848
SP  - 113303
DO  - 10.1016/j.jelechem.2019.113303
ER  - 

@article{
author = "Avramov Ivić, Milka and Lović, Jelena and Stevanović, Sanja and Nikolić, Nebojša D. and Trišović, Nemanja and Lađarević, Jelena and Vuković, Dragan and Drmanić, Saša Ž. and Mladenović, Aleksandar R. and Jadranin, Milka and Petrović, Slobodan D. and Mijin, Dušan",
year = "2019",
abstract = "Esomeprazole is the most effective of the proton-pump inhibitors for the acid-related diseases and at first was examined for the electroanalytical purposes. The drug standard and as a content of injection powder was investigated by cyclic voltammetry (CV) and quantitatively determined using square wave voltammetry (SWV) via its electrooxidation at Au electrode in 0.05 M NaHCO3. SWV showed a linear dependency of the anodic peak currents vs. esomeprazole standard concentrations in the range from 3.0 to 500 μg mL−1 with the values of limit of detection (LOD) and limit of quantification (LOQ): 1.4 and 4.6 μg mL−1, respectively. Using the constructed and validated calibration curve, the values of unknown esomeprazole concentrations in injection powder and in human serum spiked with standard were determined. Before the electrochemical oxidation, it was shown by atomic force microscopy (AFM) that the small esomeprazole islands formed inside holes were visible and their diameter was about 200 nm attributed to physico-chemical characteristics of esomeprazole. After the electrochemical oxidation, the morphology of esomeprazole standard on Au surface was completely changed and composed of spherical particles in a diameter between 200 and 600 nm. With esomeprazole suspended in human serum, the process of crystallization partly occurred in the form of spherical grains with the average size of these grains was about 4 μm. The analysis at the macro level done by the optical microscopy (OM) confirmed this opinion. The study of esomeprazole degradation showed that at Au electrode, after 3 h of cycling, a neglectable amount of the esomeprazole was changed. Using IrOx electrode under directed stress conditions, its almost complete degradation was realized after 3 h confirmed by high performance liquid chromatography (HPLC). Total organic carbon (TOC) analysis showed that 95% of esomeprazole was mineralized. The HPLC and Liquid chromatography-mass spectrometry (LC-MS) study revealed the formation of 4-hydroxy omeprazole sulphide, 4-hydroxy omeprazole sulphone, esomeprazole sulphone and methylated esomeprazole.",
publisher = "Elsevier",
journal = "Journal of Electroanalytical Chemistry",
title = "Electrochemical behavior of esomeprazole: Its determination at Au electrode as standard and in injection powder combined with the study of its degradation",
volume = "848",
pages = "113303",
doi = "10.1016/j.jelechem.2019.113303"
}

Avramov Ivić, M., Lović, J., Stevanović, S., Nikolić, N. D., Trišović, N., Lađarević, J., Vuković, D., Drmanić, S. Ž., Mladenović, A. R., Jadranin, M., Petrović, S. D.,& Mijin, D.. (2019). Electrochemical behavior of esomeprazole: Its determination at Au electrode as standard and in injection powder combined with the study of its degradation. in Journal of Electroanalytical Chemistry
Elsevier., 848, 113303.
https://doi.org/10.1016/j.jelechem.2019.113303

Avramov Ivić M, Lović J, Stevanović S, Nikolić ND, Trišović N, Lađarević J, Vuković D, Drmanić SŽ, Mladenović AR, Jadranin M, Petrović SD, Mijin D. Electrochemical behavior of esomeprazole: Its determination at Au electrode as standard and in injection powder combined with the study of its degradation. in Journal of Electroanalytical Chemistry. 2019;848:113303.
doi:10.1016/j.jelechem.2019.113303 .

Avramov Ivić, Milka, Lović, Jelena, Stevanović, Sanja, Nikolić, Nebojša D., Trišović, Nemanja, Lađarević, Jelena, Vuković, Dragan, Drmanić, Saša Ž., Mladenović, Aleksandar R., Jadranin, Milka, Petrović, Slobodan D., Mijin, Dušan, "Electrochemical behavior of esomeprazole: Its determination at Au electrode as standard and in injection powder combined with the study of its degradation" in Journal of Electroanalytical Chemistry, 848 (2019):113303,
https://doi.org/10.1016/j.jelechem.2019.113303 . .

TY  - JOUR
AU  - Matović, Luka
AU  - Tasić, Nikola
AU  - Trišović, Nemanja
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Grgur, Branimir N.
AU  - Mijin, Dušan
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3242
PB  - The Scientific and Technological Research Council of Turkey  (TÜBİTAK)
T2  - Turkish Journal of Chemistry
T1  - On the azo dyes derived from benzoic and cinnamic acids used as photosensitizersin dye-sensitized solar cells
VL  - 43
IS  - 4
SP  - 1183
EP  - 1203
DO  - 10.3906/kim-1903-76
ER  - 

@article{
author = "Matović, Luka and Tasić, Nikola and Trišović, Nemanja and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Grgur, Branimir N. and Mijin, Dušan",
year = "2019",
publisher = "The Scientific and Technological Research Council of Turkey  (TÜBİTAK)",
journal = "Turkish Journal of Chemistry",
title = "On the azo dyes derived from benzoic and cinnamic acids used as photosensitizersin dye-sensitized solar cells",
volume = "43",
number = "4",
pages = "1183-1203",
doi = "10.3906/kim-1903-76"
}

Matović, L., Tasić, N., Trišović, N., Lađarević, J., Vitnik, V., Vitnik, Ž., Grgur, B. N.,& Mijin, D.. (2019). On the azo dyes derived from benzoic and cinnamic acids used as photosensitizersin dye-sensitized solar cells. in Turkish Journal of Chemistry
The Scientific and Technological Research Council of Turkey  (TÜBİTAK)., 43(4), 1183-1203.
https://doi.org/10.3906/kim-1903-76

Matović L, Tasić N, Trišović N, Lađarević J, Vitnik V, Vitnik Ž, Grgur BN, Mijin D. On the azo dyes derived from benzoic and cinnamic acids used as photosensitizersin dye-sensitized solar cells. in Turkish Journal of Chemistry. 2019;43(4):1183-1203.
doi:10.3906/kim-1903-76 .

Matović, Luka, Tasić, Nikola, Trišović, Nemanja, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Grgur, Branimir N., Mijin, Dušan, "On the azo dyes derived from benzoic and cinnamic acids used as photosensitizersin dye-sensitized solar cells" in Turkish Journal of Chemistry, 43, no. 4 (2019):1183-1203,
https://doi.org/10.3906/kim-1903-76 . .

TY  - CONF
AU  - Avramov -  Ivić, Milka
AU  - Lović, Jelena
AU  - Trišović, Nemanja
AU  - Lađarević, Jelena
AU  - Mladenović, Aleksandar R.
AU  - Jadranin, Milka
AU  - Petrović, Slobodan
AU  - Mijin, Dušan
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5656
AB  - The electrochemical activity of esomeprazole at the gold electrode was investigated by CV and the development of an electroanalytical procedure for its quantitative determination was established with the aid of SWV measurements. The study of the electrochemical degradation of the drug was
performed at Au and IrOx electrodes.
PB  - International Association of Physical Chemists
C3  - Book of abstracts - 7th Regional Symposium on Electrochemistry – South East Europe & 8th Kurt Schwabe Symposium, May 27 – 30, 2019, Split, Croatia
T1  - The SWV determination of esomeprazole at Au and its degradation at IrOx followed by HPLC and LC-MS
SP  - EAS-P-11
UR  - https://hdl.handle.net/21.15107/rcub_cer_5656
ER  - 

@conference{
author = "Avramov -  Ivić, Milka and Lović, Jelena and Trišović, Nemanja and Lađarević, Jelena and Mladenović, Aleksandar R. and Jadranin, Milka and Petrović, Slobodan and Mijin, Dušan",
year = "2019",
abstract = "The electrochemical activity of esomeprazole at the gold electrode was investigated by CV and the development of an electroanalytical procedure for its quantitative determination was established with the aid of SWV measurements. The study of the electrochemical degradation of the drug was
performed at Au and IrOx electrodes.",
publisher = "International Association of Physical Chemists",
journal = "Book of abstracts - 7th Regional Symposium on Electrochemistry – South East Europe & 8th Kurt Schwabe Symposium, May 27 – 30, 2019, Split, Croatia",
title = "The SWV determination of esomeprazole at Au and its degradation at IrOx followed by HPLC and LC-MS",
pages = "EAS-P-11",
url = "https://hdl.handle.net/21.15107/rcub_cer_5656"
}

Avramov -  Ivić, M., Lović, J., Trišović, N., Lađarević, J., Mladenović, A. R., Jadranin, M., Petrović, S.,& Mijin, D.. (2019). The SWV determination of esomeprazole at Au and its degradation at IrOx followed by HPLC and LC-MS. in Book of abstracts - 7th Regional Symposium on Electrochemistry – South East Europe & 8th Kurt Schwabe Symposium, May 27 – 30, 2019, Split, Croatia
International Association of Physical Chemists., EAS-P-11.
https://hdl.handle.net/21.15107/rcub_cer_5656

Avramov -  Ivić M, Lović J, Trišović N, Lađarević J, Mladenović AR, Jadranin M, Petrović S, Mijin D. The SWV determination of esomeprazole at Au and its degradation at IrOx followed by HPLC and LC-MS. in Book of abstracts - 7th Regional Symposium on Electrochemistry – South East Europe & 8th Kurt Schwabe Symposium, May 27 – 30, 2019, Split, Croatia. 2019;:EAS-P-11.
https://hdl.handle.net/21.15107/rcub_cer_5656 .

Avramov -  Ivić, Milka, Lović, Jelena, Trišović, Nemanja, Lađarević, Jelena, Mladenović, Aleksandar R., Jadranin, Milka, Petrović, Slobodan, Mijin, Dušan, "The SWV determination of esomeprazole at Au and its degradation at IrOx followed by HPLC and LC-MS" in Book of abstracts - 7th Regional Symposium on Electrochemistry – South East Europe & 8th Kurt Schwabe Symposium, May 27 – 30, 2019, Split, Croatia (2019):EAS-P-11,
https://hdl.handle.net/21.15107/rcub_cer_5656 .

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Radovanović, Lidija
AU  - Janjić, Goran
AU  - Jelić, Stefan
AU  - Rogan, Jelena R.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3277
AB  - A series of five derivatives of the anticonvulsant drug phenytoin was synthesized, and their crystal structures were determined. The relationship between the molecular and crystal structure of the investigated compounds was rationalized in the context of contribution of intermolecular interactions and supramolecular structural motifs. The conformational preferences were analyzed by comparing the rotational freedom of the phenyl groups in the investigated compounds with 5,5-diphenylhydantoins from the Cambridge Structural Database. With the exception of compound 3 bearing the cyclopropyl group, the crystal packing of the investigated compounds contains centrosymmetric dimers linked by paired N–H···O hydrogen bonds, which further self-organize through pairs of C–H···O interactions and a parallel interaction of two phenyl rings at a large offset into chains running along the c-axis. The principal feature of the crystal structure of compound 3 is formation of the chains by N–H···O hydrogen bonds and C–H···O and C–H···π interactions. The coordination of phenytoin enables more rotational freedom for the phenyl groups. An emphasis was placed on docking of the investigated compounds into the voltage-gated ion channel in the open and closed state. The obtained results indicate that hydrogen bonding and hydrophobic interactions are dominant in stabilizing energetically favored orientations of the investigated compounds bound to the protein.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study
VL  - 19
IS  - 4
SP  - 2163
EP  - 2174
DO  - 10.1021/acs.cgd.8b01776
ER  - 

@article{
author = "Trišović, Nemanja and Radovanović, Lidija and Janjić, Goran and Jelić, Stefan and Rogan, Jelena R.",
year = "2019",
abstract = "A series of five derivatives of the anticonvulsant drug phenytoin was synthesized, and their crystal structures were determined. The relationship between the molecular and crystal structure of the investigated compounds was rationalized in the context of contribution of intermolecular interactions and supramolecular structural motifs. The conformational preferences were analyzed by comparing the rotational freedom of the phenyl groups in the investigated compounds with 5,5-diphenylhydantoins from the Cambridge Structural Database. With the exception of compound 3 bearing the cyclopropyl group, the crystal packing of the investigated compounds contains centrosymmetric dimers linked by paired N–H···O hydrogen bonds, which further self-organize through pairs of C–H···O interactions and a parallel interaction of two phenyl rings at a large offset into chains running along the c-axis. The principal feature of the crystal structure of compound 3 is formation of the chains by N–H···O hydrogen bonds and C–H···O and C–H···π interactions. The coordination of phenytoin enables more rotational freedom for the phenyl groups. An emphasis was placed on docking of the investigated compounds into the voltage-gated ion channel in the open and closed state. The obtained results indicate that hydrogen bonding and hydrophobic interactions are dominant in stabilizing energetically favored orientations of the investigated compounds bound to the protein.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study",
volume = "19",
number = "4",
pages = "2163-2174",
doi = "10.1021/acs.cgd.8b01776"
}

Trišović, N., Radovanović, L., Janjić, G., Jelić, S.,& Rogan, J. R.. (2019). Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study. in Crystal Growth & Design
American Chemical Society (ACS)., 19(4), 2163-2174.
https://doi.org/10.1021/acs.cgd.8b01776

Trišović N, Radovanović L, Janjić G, Jelić S, Rogan JR. Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study. in Crystal Growth & Design. 2019;19(4):2163-2174.
doi:10.1021/acs.cgd.8b01776 .

Trišović, Nemanja, Radovanović, Lidija, Janjić, Goran, Jelić, Stefan, Rogan, Jelena R., "Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study" in Crystal Growth & Design, 19, no. 4 (2019):2163-2174,
https://doi.org/10.1021/acs.cgd.8b01776 . .