TY  - JOUR
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Valentić, Nataša
AU  - Đorđević, Ivana
AU  - Trišović, Nemanja
PY  - 2024-08
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7435
AB  - Providing structural information on drug-like compounds is a significant step in efforts to develop innovative drugs with balanced solubility, cell permeability and target binding. In this paper, a new cyclohexane-5-spirohydantoin tethered with a 4‑tert-butylbenzoyl group was synthesized and its crystal structure was determined using the single crystal X-ray diffraction. The Hirshfeld surface analysis was used to gain a preliminary insight into the proportion and nature of the intermolecular interactions in the crystal structure, while their quantitative description is further presented in terms of a systematic analysis of dimeric motifs representing different recognition modes. A combination of N–H∙∙∙O and C(sp3)–H∙∙∙O hydrogen bonds, C(sp3)–H∙∙∙π, lone-pair∙∙∙π and π∙∙∙π stacking interactions links the molecules into a bilayer having two carbonyl O atoms exposed to the exterior. Further stacking of the bilayers occurs through C(sp3)–H∙∙∙O hydrogen bonds involving these O atoms as acceptors, C(sp3)–H∙∙∙π and π∙∙∙π stacking interactions between the phenyl groups. The molecular electrostatic potential surface map reveals that the carbonyl O atoms of the hydantoin ring and the phenyl ring are electrophilic centers, while the N1–H1 group is a nucleophilic center. The calculated HOMO and LUMO energies were used to semiquantitatively estimate the global reactivity descriptors suggesting the soft nature of the molecule.
PB  - Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - Crystallographic and theoretical analysis of a spirohydantoin derivative: 3-(4‑tert-butylbenzoyl)-1,3-diazaspiro[4.5]decane-2,4‑dione
SP  - 138234
VL  - 1310
DO  - 10.1016/j.molstruc.2024.138234
ER  - 

@article{
author = "Lazić, Anita and Radovanović, Lidija and Rogan, Jelena and Valentić, Nataša and Đorđević, Ivana and Trišović, Nemanja",
year = "2024-08",
abstract = "Providing structural information on drug-like compounds is a significant step in efforts to develop innovative drugs with balanced solubility, cell permeability and target binding. In this paper, a new cyclohexane-5-spirohydantoin tethered with a 4‑tert-butylbenzoyl group was synthesized and its crystal structure was determined using the single crystal X-ray diffraction. The Hirshfeld surface analysis was used to gain a preliminary insight into the proportion and nature of the intermolecular interactions in the crystal structure, while their quantitative description is further presented in terms of a systematic analysis of dimeric motifs representing different recognition modes. A combination of N–H∙∙∙O and C(sp3)–H∙∙∙O hydrogen bonds, C(sp3)–H∙∙∙π, lone-pair∙∙∙π and π∙∙∙π stacking interactions links the molecules into a bilayer having two carbonyl O atoms exposed to the exterior. Further stacking of the bilayers occurs through C(sp3)–H∙∙∙O hydrogen bonds involving these O atoms as acceptors, C(sp3)–H∙∙∙π and π∙∙∙π stacking interactions between the phenyl groups. The molecular electrostatic potential surface map reveals that the carbonyl O atoms of the hydantoin ring and the phenyl ring are electrophilic centers, while the N1–H1 group is a nucleophilic center. The calculated HOMO and LUMO energies were used to semiquantitatively estimate the global reactivity descriptors suggesting the soft nature of the molecule.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "Crystallographic and theoretical analysis of a spirohydantoin derivative: 3-(4‑tert-butylbenzoyl)-1,3-diazaspiro[4.5]decane-2,4‑dione",
pages = "138234",
volume = "1310",
doi = "10.1016/j.molstruc.2024.138234"
}

Lazić, A., Radovanović, L., Rogan, J., Valentić, N., Đorđević, I.,& Trišović, N.. (2024-08). Crystallographic and theoretical analysis of a spirohydantoin derivative: 3-(4‑tert-butylbenzoyl)-1,3-diazaspiro[4.5]decane-2,4‑dione. in Journal of Molecular Structure
Elsevier B.V.., 1310, 138234.
https://doi.org/10.1016/j.molstruc.2024.138234

Lazić A, Radovanović L, Rogan J, Valentić N, Đorđević I, Trišović N. Crystallographic and theoretical analysis of a spirohydantoin derivative: 3-(4‑tert-butylbenzoyl)-1,3-diazaspiro[4.5]decane-2,4‑dione. in Journal of Molecular Structure. 2024;1310:138234.
doi:10.1016/j.molstruc.2024.138234 .

Lazić, Anita, Radovanović, Lidija, Rogan, Jelena, Valentić, Nataša, Đorđević, Ivana, Trišović, Nemanja, "Crystallographic and theoretical analysis of a spirohydantoin derivative: 3-(4‑tert-butylbenzoyl)-1,3-diazaspiro[4.5]decane-2,4‑dione" in Journal of Molecular Structure, 1310 (2024-08):138234,
https://doi.org/10.1016/j.molstruc.2024.138234 . .

TY  - CONF
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Rogan, Jelena R.
AU  - Valentić, Nataša V.
AU  - Đorđević, Ivana S.
AU  - Trišović, Nemanja P.
PY  - 2024
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7401
AB  - An analysis of structural features of new compounds with multiple hydrogen-bond donating and
accepting groups can enhance our understanding of development of supramolecular assemblies
with potential for application in life sciences. Using the quantum chemical calculations,
formation of the crystal structure of cyclohexane-5-spirohydantoin bearing a 4-tert-butylbenzoyl
group (Fig. 1) was analysed in terms of a number of dimeric motifs associated with
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 [1]. This motif is involved in two types of double chains, which further form a
layer. Together with the dispersion interactions (π‒π and hydrophobic), C‒H‧‧‧O interactions
act as the source of attraction between the layers. Intermolecular interactions were also
investigated using the Hirschfield surface analysis, enabling to additionally estimate quantitative
contributions of intermolecular interactions to the crystal packing.
PB  - COST Action CA21101 "COSY"
C3  - Book of abstracts / The 1st WG2 Virtual meeting of COST action CA21101 COSY "From quantum to classical dynamics of
isolated molecules and 3D materials", 6th February 2024, Belgrade, Serbia
T1  - Quantitative Crystal Structure Analysis of A Selected Spirohydantoin Derivative
SP  - 44
UR  - https://hdl.handle.net/21.15107/rcub_technorep_7401
ER  - 

@conference{
author = "Lazić, Anita M. and Radovanović, Lidija D. and Rogan, Jelena R. and Valentić, Nataša V. and Đorđević, Ivana S. and Trišović, Nemanja P.",
year = "2024",
abstract = "An analysis of structural features of new compounds with multiple hydrogen-bond donating and
accepting groups can enhance our understanding of development of supramolecular assemblies
with potential for application in life sciences. Using the quantum chemical calculations,
formation of the crystal structure of cyclohexane-5-spirohydantoin bearing a 4-tert-butylbenzoyl
group (Fig. 1) was analysed in terms of a number of dimeric motifs associated with
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 [1]. This motif is involved in two types of double chains, which further form a
layer. Together with the dispersion interactions (π‒π and hydrophobic), C‒H‧‧‧O interactions
act as the source of attraction between the layers. Intermolecular interactions were also
investigated using the Hirschfield surface analysis, enabling to additionally estimate quantitative
contributions of intermolecular interactions to the crystal packing.",
publisher = "COST Action CA21101 "COSY"",
journal = "Book of abstracts / The 1st WG2 Virtual meeting of COST action CA21101 COSY "From quantum to classical dynamics of
isolated molecules and 3D materials", 6th February 2024, Belgrade, Serbia",
title = "Quantitative Crystal Structure Analysis of A Selected Spirohydantoin Derivative",
pages = "44",
url = "https://hdl.handle.net/21.15107/rcub_technorep_7401"
}

Lazić, A. M., Radovanović, L. D., Rogan, J. R., Valentić, N. V., Đorđević, I. S.,& Trišović, N. P.. (2024). Quantitative Crystal Structure Analysis of A Selected Spirohydantoin Derivative. in Book of abstracts / The 1st WG2 Virtual meeting of COST action CA21101 COSY "From quantum to classical dynamics of
isolated molecules and 3D materials", 6th February 2024, Belgrade, Serbia
COST Action CA21101 "COSY"., 44.
https://hdl.handle.net/21.15107/rcub_technorep_7401

Lazić AM, Radovanović LD, Rogan JR, Valentić NV, Đorđević IS, Trišović NP. Quantitative Crystal Structure Analysis of A Selected Spirohydantoin Derivative. in Book of abstracts / The 1st WG2 Virtual meeting of COST action CA21101 COSY "From quantum to classical dynamics of
isolated molecules and 3D materials", 6th February 2024, Belgrade, Serbia. 2024;:44.
https://hdl.handle.net/21.15107/rcub_technorep_7401 .

Lazić, Anita M., Radovanović, Lidija D., Rogan, Jelena R., Valentić, Nataša V., Đorđević, Ivana S., Trišović, Nemanja P., "Quantitative Crystal Structure Analysis of A Selected Spirohydantoin Derivative" in Book of abstracts / The 1st WG2 Virtual meeting of COST action CA21101 COSY "From quantum to classical dynamics of
isolated molecules and 3D materials", 6th February 2024, Belgrade, Serbia (2024):44,
https://hdl.handle.net/21.15107/rcub_technorep_7401 .

TY  - JOUR
AU  - Nikolić, Jasmina B.
AU  - Prlainović, Nevena Ž.
AU  - Šekularac, Gavrilo M.
AU  - Matović, Luka R.
AU  - Lazić, Anita M.
AU  - Drmanić, Saša Ž.
PY  - 2024
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7387
AB  - The esters of substituted 1,4-dihydropyirdines (1,4-DHP) are formed in the reaction of an appropriate aldehyde and ethyl acetoacetate in the presence of concentrated water solution of ammonia. The esters form the amides by the reaction with primary amines. The series of the amides has been synthesized with the aim to analyze their chemical characteristics, antioxidant and antimicrobial activity. The amine used in this research is 2-aminothiazole. The antioxidant activity is analysed by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) methods and the antimicrobial activity screening was performed by broth microdilution method, using different microbial strains. The characterization of the obtained amides was done by melting points, FTIR, NMR and elemental analysis. The possibilities for further research was suggested, which could lead to the application of selected compounds.
AB  - Естри супституисаних 1,4-дихидропиридина се формирају у реакцији одговарајућег алдехида и етил-ацетоацетата у присуству амонијум-хидроксида. Наведени естри
прелазе у амиде реакцијом са примарним аминима. Серија оваквих амида је синтетисана са циљем да се испита њихова антиоксидативна и антимиркобна активност, као и
хемијске карактеристике. Амин употребљен за синтезу је 2-аминотиазол. Антиоксидативна активност је анализирана DPPH и ABTS методама, а антимикробна бујон микродилуционом методом. Карактеризација добијених једињења урађена је помоћу тачака
топљења, FTIR, NMR и елементалном анализом. Предложене су могућности за наставак
истраживања, који бу водио њиховој примени одређених испитиваних једињења.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - The synthesis, characterization, antioxidant and antimicrobial activity of some novel amides of the esters of substituted 1,4-dihydropyridines
T1  - Синтеза, карактеризација, антиоксидативна и антимикробна активност некиx нових амида естара 1,4-дихидропиридина
EP  - 150
IS  - 2
SP  - 141
VL  - 89
DO  - 10.2298/JSC231023098N
ER  - 

@article{
author = "Nikolić, Jasmina B. and Prlainović, Nevena Ž. and Šekularac, Gavrilo M. and Matović, Luka R. and Lazić, Anita M. and Drmanić, Saša Ž.",
year = "2024",
abstract = "The esters of substituted 1,4-dihydropyirdines (1,4-DHP) are formed in the reaction of an appropriate aldehyde and ethyl acetoacetate in the presence of concentrated water solution of ammonia. The esters form the amides by the reaction with primary amines. The series of the amides has been synthesized with the aim to analyze their chemical characteristics, antioxidant and antimicrobial activity. The amine used in this research is 2-aminothiazole. The antioxidant activity is analysed by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) methods and the antimicrobial activity screening was performed by broth microdilution method, using different microbial strains. The characterization of the obtained amides was done by melting points, FTIR, NMR and elemental analysis. The possibilities for further research was suggested, which could lead to the application of selected compounds., Естри супституисаних 1,4-дихидропиридина се формирају у реакцији одговарајућег алдехида и етил-ацетоацетата у присуству амонијум-хидроксида. Наведени естри
прелазе у амиде реакцијом са примарним аминима. Серија оваквих амида је синтетисана са циљем да се испита њихова антиоксидативна и антимиркобна активност, као и
хемијске карактеристике. Амин употребљен за синтезу је 2-аминотиазол. Антиоксидативна активност је анализирана DPPH и ABTS методама, а антимикробна бујон микродилуционом методом. Карактеризација добијених једињења урађена је помоћу тачака
топљења, FTIR, NMR и елементалном анализом. Предложене су могућности за наставак
истраживања, који бу водио њиховој примени одређених испитиваних једињења.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "The synthesis, characterization, antioxidant and antimicrobial activity of some novel amides of the esters of substituted 1,4-dihydropyridines, Синтеза, карактеризација, антиоксидативна и антимикробна активност некиx нових амида естара 1,4-дихидропиридина",
pages = "150-141",
number = "2",
volume = "89",
doi = "10.2298/JSC231023098N"
}

Nikolić, J. B., Prlainović, N. Ž., Šekularac, G. M., Matović, L. R., Lazić, A. M.,& Drmanić, S. Ž.. (2024). The synthesis, characterization, antioxidant and antimicrobial activity of some novel amides of the esters of substituted 1,4-dihydropyridines. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 89(2), 141-150.
https://doi.org/10.2298/JSC231023098N

Nikolić JB, Prlainović NŽ, Šekularac GM, Matović LR, Lazić AM, Drmanić SŽ. The synthesis, characterization, antioxidant and antimicrobial activity of some novel amides of the esters of substituted 1,4-dihydropyridines. in Journal of the Serbian Chemical Society. 2024;89(2):141-150.
doi:10.2298/JSC231023098N .

Nikolić, Jasmina B., Prlainović, Nevena Ž., Šekularac, Gavrilo M., Matović, Luka R., Lazić, Anita M., Drmanić, Saša Ž., "The synthesis, characterization, antioxidant and antimicrobial activity of some novel amides of the esters of substituted 1,4-dihydropyridines" in Journal of the Serbian Chemical Society, 89, no. 2 (2024):141-150,
https://doi.org/10.2298/JSC231023098N . .

TY  - CONF
AU  - Lađarević, Jelena
AU  - Radovanović, Lidija
AU  - Mašulović, Aleksandra
AU  - Trišović, Nemanja
AU  - Lazić, Anita
AU  - Rogan, Jelena
AU  - Mijin, Dušan
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6727
AB  - Azo boje ce poslednjih decenija primenjuju u različitim oblastima zbog izuzetnih svojstava. Njihova primena je u velikoj meri povezana sa fenomenom azo- hidrazon tautomerije. Naime, određivanje strukturnog oblika azo boja je značajno kako sa teorijskog stanovišta, tako i iz tehničke perspektive jer azo i hidrazon tautomeri poseduju različita fizička i hemijska svojstva.
U ovom radu, sintetisana je azo boja (5-(2-hlorfenilazo)-3-cijano-1-etil-6- hidrokci-4-metil-2-piridon) i okarakterisana elementalnom analizom, NMR i ATR-FTIR spektroskopijom i rendgenskom strukturnom analizom (slika). Solvatohromna svojstva boje ispitana su UV-Vis spektroskopijom u različitim rastvaračima kako bi se utvrdio dominantan strukturni oblik boje. Kristalna struktura je pokazala da boja kristališe u obliku hidrzon tautomera. Stabilizacija kristalnog pakovanja ostvarena je posredstvom različitih nekovalentnih interakcija kao što cu C–H···O/N, π-π, slobodan elektronski par-π i Cl···O.
Kristalografski	podaci: C15H13ClN4O2, Mr = 316,74, trikliničan sistem, prostorna grupa P 1̅ , a = 7,9490(16),    b    =    8,9645(18),
c  =  11,697(2)  Å,  α  =  72,92(3),
β  =  83,59(3),  γ  =  66,77(3)  °,
V  =  732,1(3)  Å3,  Z  =  2, F(000) = 328, ρx = 1,437 g cm–3, µ(MoKα) = 0,274 mm–1, R1 = 0,0447 i S =
1,018 za utačnjenih 219 parametara i 1941 primećenih reflekcija sa I ≥ 2σ(I).
AB  - Tremendous progress in the application of azo dyes in various fields has been achieved over the past few decades due to their intriguing properties. Their application is closely related to the phenomenon of azo-hydrazone tautomerism. Determination of the structural isomer of the azo dyes is not only important from the theoretical standpoint but also from the technical perspective since azo and hydrazone tautomers have distinctive physical and chemical properties.
In this work, azo pyridone dye (5-(2-chlorophenylazo)-3-cyano-1-ethyl-6-hydroxy-4- methyl-2-pyridone) has been synthesized and characterized by elemental analysis, NMR and ATR-FTIR spectroscopy and single-crystal X-ray analysis (Figure). Solvatochromic properties of the dye have been investigated using UV-Vis spectroscopy in solvents of
different polarity in order to determine the dominant form in solvents.
The crystal structure of the dye shows that the dye crystallizes in the hydrazone form. The stabilization of the crystal packing is achieved by weak non- covalent interactions: C–H···O/N, π-π, lone pair-π and Cl O.
Crystal      data:       C15H13ClN4O2,
Mr = 316.74, triclinic, space group P1̅, a
=	7.9490(16),	b	=	8.9645(18),
c   =   11.697(2)   Å,   a   =   72.92(3),
β    =    83.59(3),    γ    =    66.77(3)    °, V = 732.1(3) Å3, Z = 2, F(000) = 328, ρx = 1.437 g cm–3, µ(MoKa) = 0.274 mm–1, R1 = 0.0447 and S = 1.018 for 219
refined parameters and 1941 observed reflections with I ≥ 2σ(I).
PB  - Beograd : Srpsko kristalografsko društvo
C3  - Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023
T1  - TAUTOMERIJA AZO PIRIDONSKIH BOJA: KRISTALNA STRUKTURA I SOLVATOHROMNA SVOJSTVA
T1  - TAUTOMERISM OF AZO PYRIDONE DYES: CRYSTAL STRUCTURE AND SOLVATOCHROMIC ANALYSIS
EP  - 19
SP  - 18
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6727
ER  - 

@conference{
author = "Lađarević, Jelena and Radovanović, Lidija and Mašulović, Aleksandra and Trišović, Nemanja and Lazić, Anita and Rogan, Jelena and Mijin, Dušan",
year = "2023",
abstract = "Azo boje ce poslednjih decenija primenjuju u različitim oblastima zbog izuzetnih svojstava. Njihova primena je u velikoj meri povezana sa fenomenom azo- hidrazon tautomerije. Naime, određivanje strukturnog oblika azo boja je značajno kako sa teorijskog stanovišta, tako i iz tehničke perspektive jer azo i hidrazon tautomeri poseduju različita fizička i hemijska svojstva.
U ovom radu, sintetisana je azo boja (5-(2-hlorfenilazo)-3-cijano-1-etil-6- hidrokci-4-metil-2-piridon) i okarakterisana elementalnom analizom, NMR i ATR-FTIR spektroskopijom i rendgenskom strukturnom analizom (slika). Solvatohromna svojstva boje ispitana su UV-Vis spektroskopijom u različitim rastvaračima kako bi se utvrdio dominantan strukturni oblik boje. Kristalna struktura je pokazala da boja kristališe u obliku hidrzon tautomera. Stabilizacija kristalnog pakovanja ostvarena je posredstvom različitih nekovalentnih interakcija kao što cu C–H···O/N, π-π, slobodan elektronski par-π i Cl···O.
Kristalografski	podaci: C15H13ClN4O2, Mr = 316,74, trikliničan sistem, prostorna grupa P 1̅ , a = 7,9490(16),    b    =    8,9645(18),
c  =  11,697(2)  Å,  α  =  72,92(3),
β  =  83,59(3),  γ  =  66,77(3)  °,
V  =  732,1(3)  Å3,  Z  =  2, F(000) = 328, ρx = 1,437 g cm–3, µ(MoKα) = 0,274 mm–1, R1 = 0,0447 i S =
1,018 za utačnjenih 219 parametara i 1941 primećenih reflekcija sa I ≥ 2σ(I)., Tremendous progress in the application of azo dyes in various fields has been achieved over the past few decades due to their intriguing properties. Their application is closely related to the phenomenon of azo-hydrazone tautomerism. Determination of the structural isomer of the azo dyes is not only important from the theoretical standpoint but also from the technical perspective since azo and hydrazone tautomers have distinctive physical and chemical properties.
In this work, azo pyridone dye (5-(2-chlorophenylazo)-3-cyano-1-ethyl-6-hydroxy-4- methyl-2-pyridone) has been synthesized and characterized by elemental analysis, NMR and ATR-FTIR spectroscopy and single-crystal X-ray analysis (Figure). Solvatochromic properties of the dye have been investigated using UV-Vis spectroscopy in solvents of
different polarity in order to determine the dominant form in solvents.
The crystal structure of the dye shows that the dye crystallizes in the hydrazone form. The stabilization of the crystal packing is achieved by weak non- covalent interactions: C–H···O/N, π-π, lone pair-π and Cl O.
Crystal      data:       C15H13ClN4O2,
Mr = 316.74, triclinic, space group P1̅, a
=	7.9490(16),	b	=	8.9645(18),
c   =   11.697(2)   Å,   a   =   72.92(3),
β    =    83.59(3),    γ    =    66.77(3)    °, V = 732.1(3) Å3, Z = 2, F(000) = 328, ρx = 1.437 g cm–3, µ(MoKa) = 0.274 mm–1, R1 = 0.0447 and S = 1.018 for 219
refined parameters and 1941 observed reflections with I ≥ 2σ(I).",
publisher = "Beograd : Srpsko kristalografsko društvo",
journal = "Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023",
title = "TAUTOMERIJA AZO PIRIDONSKIH BOJA: KRISTALNA STRUKTURA I SOLVATOHROMNA SVOJSTVA, TAUTOMERISM OF AZO PYRIDONE DYES: CRYSTAL STRUCTURE AND SOLVATOCHROMIC ANALYSIS",
pages = "19-18",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6727"
}

Lađarević, J., Radovanović, L., Mašulović, A., Trišović, N., Lazić, A., Rogan, J.,& Mijin, D.. (2023). TAUTOMERIJA AZO PIRIDONSKIH BOJA: KRISTALNA STRUKTURA I SOLVATOHROMNA SVOJSTVA. in Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023
Beograd : Srpsko kristalografsko društvo., 18-19.
https://hdl.handle.net/21.15107/rcub_technorep_6727

Lađarević J, Radovanović L, Mašulović A, Trišović N, Lazić A, Rogan J, Mijin D. TAUTOMERIJA AZO PIRIDONSKIH BOJA: KRISTALNA STRUKTURA I SOLVATOHROMNA SVOJSTVA. in Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023. 2023;:18-19.
https://hdl.handle.net/21.15107/rcub_technorep_6727 .

Lađarević, Jelena, Radovanović, Lidija, Mašulović, Aleksandra, Trišović, Nemanja, Lazić, Anita, Rogan, Jelena, Mijin, Dušan, "TAUTOMERIJA AZO PIRIDONSKIH BOJA: KRISTALNA STRUKTURA I SOLVATOHROMNA SVOJSTVA" in Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023 (2023):18-19,
https://hdl.handle.net/21.15107/rcub_technorep_6727 .

TY  - CONF
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Đorđević, Ivana
AU  - Trišović, Nemanja
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6722
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, which
further 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 the
dispersion 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  - Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023
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
EP  - 57
SP  - 56
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6722
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, which
further 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 the
dispersion 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 = "Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023",
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 = "57-56",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6722"
}

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 Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023
Beograd : Srpsko kristalografsko društvo., 56-57.
https://hdl.handle.net/21.15107/rcub_technorep_6722

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 Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023. 2023;:56-57.
https://hdl.handle.net/21.15107/rcub_technorep_6722 .

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 Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023 (2023):56-57,
https://hdl.handle.net/21.15107/rcub_technorep_6722 .

TY  - CONF
AU  - Mašulović, Aleksandra
AU  - Radovanović, Lidija
AU  - Lađarević, Jelena
AU  - Lazić, Anita
AU  - Trišović, Nemanja
AU  - Rogan, Jelena
AU  - Mijin, Dušan
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6718
AB  - Reakcija azo kuplovanja omogućava laku sintezu niza molekula sa različitim svojstvima, što čini azo boje najrasprostranjenijim kolorantima. Pored primene azo boja u tekstilnoj industriji, primenjuju se i kod proizvoda naprednih tehnologija. Takođe, poznata su i po svojoj izvanrednoj biološkoj aktivnosti. Prisustvo jezgra piridina značajno poboljšava obojenje i postojanost boja. Supramolekulskim pristupom objašnjavaju se intra- i inter-molekulske interakcije, što omogućava bolje razumevanje interakcija između boja i tekstilnog vlakna [1].
U ovom radu dobijen je 5'-(2-(2,6-dihlorfenil)hidrazon)-4'-metil-2',6'-diokso- 1',2',5',6'-tetrahidro-[1,3'-bipiridin]-1-ium-hlorid (slika). Struktura jedinjenja potvrđena je NMR, ATR-FTIR, UV-Vis spektroskopijama i rendgenskom strukturnom analizom. Supramolekulsko umrežavanje postignuto je vodoničnim vezama, π-interakcijama, interakcijama atoma hlora vezanih za fenilno jezgro kao i interakcijama Cl–-jona koji se nalazi u kristalnoj rešetki. Ovim interakcijama objašnjena je i sposobnost vezivanja boje za tekstilno vlakno. Kristalografski podaci: C34H26Cl6N8O4,
Mr = 823,33, P–1, a = 7,3784(15), b = 10,394(2),
c = 13,254(3) Å, α = 103,29(3), β = 105,71(3), γ = 106,11(3) °,  V = 887,5(4) Å3,  Z = 1, F(000) = 420,	ρx = 1,541 g cm–3,
µ(MoKα) = 0,537 mm–1. Utačnjavanje sa F2 (236 parametara) dalo je R1 = 0,0561 i S = 1,063 za 3247 primećenih refleksija sa I ≥ 2σ(I).
AB  - The reaction of azo coupling easily provides access to a wide range of different molecules with numerous material properties, therefore making azo dyes most widely used colorants. Their use is not limited only on textile dyeing as it expands on usage in advanced technology products. On the other hand, these compounds are known for their remarkable biologial activities. Inclusion of a pyridine ring into the molecular architecture leads to a better color properties. Supramolecular organization of azo dyes provides details on the molecular conformation, including intra- and inter-molecular interactions in the solid state. This information assists towards understanding of molecular properties as well as dye–fibre interactions [1].
In this work azo coupling reaction was employed to obtain 5'-(2-(2,6- dichlorophenyl)hydrazono)-4'-methyl-2',6'-dioxo-1',2',5',6'-tetrahydro-[1,3'-bipyridin]-1- ium chloride (Figure). The molecular structure was confirmed by 1H, 13C NMR, ATR- FTIR,	UV-Vis	spectroscopies	and	by single-crystal X-Ray diffraction. Various hydrogen bonds, π-stacking interactions and interactions involving chlorine substituents, as well as the chloride ion are responsible for supramolecular organization. Furthermore these interactions were used to explain dye- fiber afinities. Crystal data: C34H26Cl6N8O4, Mr = 823.33,
P–1,	a = 7.3784(15),	b = 10.394(2),
c = 13.254(3) Å, α = 103.29(3), β = 105.71(3), γ = 106.11(3) °,  V = 887.5(4) Å3,  Z = 1, F(000) = 420,	ρx = 1.541 g cm–3,
µ(MoKα) = 0.537 mm–1. The refinement on F2 (236 parameters) yielded R1 = 0.0561 and S = 1.063 for 3247 observed reflections with I ≥ 2σ(I).
PB  - Beograd : Srpsko kristalografsko društvo
C3  - Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023
T1  - SUPRAMOLEKULSKI PRISTUP BOJENJU: KRISTALNO PAKOVANJE AZO PIRIDONSKE BOJE
T1  - SUPRAMOLECULAR АPPROACH OF DYEING: CRYSTAL PACKING OF PYRIDONE AZO DYE
EP  - 59
SP  - 58
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6718
ER  - 

@conference{
author = "Mašulović, Aleksandra and Radovanović, Lidija and Lađarević, Jelena and Lazić, Anita and Trišović, Nemanja and Rogan, Jelena and Mijin, Dušan",
year = "2023",
abstract = "Reakcija azo kuplovanja omogućava laku sintezu niza molekula sa različitim svojstvima, što čini azo boje najrasprostranjenijim kolorantima. Pored primene azo boja u tekstilnoj industriji, primenjuju se i kod proizvoda naprednih tehnologija. Takođe, poznata su i po svojoj izvanrednoj biološkoj aktivnosti. Prisustvo jezgra piridina značajno poboljšava obojenje i postojanost boja. Supramolekulskim pristupom objašnjavaju se intra- i inter-molekulske interakcije, što omogućava bolje razumevanje interakcija između boja i tekstilnog vlakna [1].
U ovom radu dobijen je 5'-(2-(2,6-dihlorfenil)hidrazon)-4'-metil-2',6'-diokso- 1',2',5',6'-tetrahidro-[1,3'-bipiridin]-1-ium-hlorid (slika). Struktura jedinjenja potvrđena je NMR, ATR-FTIR, UV-Vis spektroskopijama i rendgenskom strukturnom analizom. Supramolekulsko umrežavanje postignuto je vodoničnim vezama, π-interakcijama, interakcijama atoma hlora vezanih za fenilno jezgro kao i interakcijama Cl–-jona koji se nalazi u kristalnoj rešetki. Ovim interakcijama objašnjena je i sposobnost vezivanja boje za tekstilno vlakno. Kristalografski podaci: C34H26Cl6N8O4,
Mr = 823,33, P–1, a = 7,3784(15), b = 10,394(2),
c = 13,254(3) Å, α = 103,29(3), β = 105,71(3), γ = 106,11(3) °,  V = 887,5(4) Å3,  Z = 1, F(000) = 420,	ρx = 1,541 g cm–3,
µ(MoKα) = 0,537 mm–1. Utačnjavanje sa F2 (236 parametara) dalo je R1 = 0,0561 i S = 1,063 za 3247 primećenih refleksija sa I ≥ 2σ(I)., The reaction of azo coupling easily provides access to a wide range of different molecules with numerous material properties, therefore making azo dyes most widely used colorants. Their use is not limited only on textile dyeing as it expands on usage in advanced technology products. On the other hand, these compounds are known for their remarkable biologial activities. Inclusion of a pyridine ring into the molecular architecture leads to a better color properties. Supramolecular organization of azo dyes provides details on the molecular conformation, including intra- and inter-molecular interactions in the solid state. This information assists towards understanding of molecular properties as well as dye–fibre interactions [1].
In this work azo coupling reaction was employed to obtain 5'-(2-(2,6- dichlorophenyl)hydrazono)-4'-methyl-2',6'-dioxo-1',2',5',6'-tetrahydro-[1,3'-bipyridin]-1- ium chloride (Figure). The molecular structure was confirmed by 1H, 13C NMR, ATR- FTIR,	UV-Vis	spectroscopies	and	by single-crystal X-Ray diffraction. Various hydrogen bonds, π-stacking interactions and interactions involving chlorine substituents, as well as the chloride ion are responsible for supramolecular organization. Furthermore these interactions were used to explain dye- fiber afinities. Crystal data: C34H26Cl6N8O4, Mr = 823.33,
P–1,	a = 7.3784(15),	b = 10.394(2),
c = 13.254(3) Å, α = 103.29(3), β = 105.71(3), γ = 106.11(3) °,  V = 887.5(4) Å3,  Z = 1, F(000) = 420,	ρx = 1.541 g cm–3,
µ(MoKα) = 0.537 mm–1. The refinement on F2 (236 parameters) yielded R1 = 0.0561 and S = 1.063 for 3247 observed reflections with I ≥ 2σ(I).",
publisher = "Beograd : Srpsko kristalografsko društvo",
journal = "Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023",
title = "SUPRAMOLEKULSKI PRISTUP BOJENJU: KRISTALNO PAKOVANJE AZO PIRIDONSKE BOJE, SUPRAMOLECULAR АPPROACH OF DYEING: CRYSTAL PACKING OF PYRIDONE AZO DYE",
pages = "59-58",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6718"
}

Mašulović, A., Radovanović, L., Lađarević, J., Lazić, A., Trišović, N., Rogan, J.,& Mijin, D.. (2023). SUPRAMOLEKULSKI PRISTUP BOJENJU: KRISTALNO PAKOVANJE AZO PIRIDONSKE BOJE. in Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023
Beograd : Srpsko kristalografsko društvo., 58-59.
https://hdl.handle.net/21.15107/rcub_technorep_6718

Mašulović A, Radovanović L, Lađarević J, Lazić A, Trišović N, Rogan J, Mijin D. SUPRAMOLEKULSKI PRISTUP BOJENJU: KRISTALNO PAKOVANJE AZO PIRIDONSKE BOJE. in Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023. 2023;:58-59.
https://hdl.handle.net/21.15107/rcub_technorep_6718 .

Mašulović, Aleksandra, Radovanović, Lidija, Lađarević, Jelena, Lazić, Anita, Trišović, Nemanja, Rogan, Jelena, Mijin, Dušan, "SUPRAMOLEKULSKI PRISTUP BOJENJU: KRISTALNO PAKOVANJE AZO PIRIDONSKE BOJE" in Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023 (2023):58-59,
https://hdl.handle.net/21.15107/rcub_technorep_6718 .

TY  - CONF
AU  - Lazić, Anita M.
AU  - Đorđević, Ivana S.
AU  - Radovanović, Lidija D.
AU  - Popović, Dragan M.
AU  - Rogan, Jelena R.
AU  - Trišović, Nemanja P.
AU  - Janjić, Goran V.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6765
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", Belgrade, 19th – 22nd September, 2023
T1  - Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone
SP  - 47
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6765
ER  - 

@conference{
author = "Lazić, Anita M. and Đorđević, Ivana S. and Radovanović, Lidija D. and Popović, Dragan M. and Rogan, Jelena R. and Trišović, Nemanja P. and Janjić, Goran V.",
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", Belgrade, 19th – 22nd September, 2023",
title = "Self-discriminating assembly and biorecognition of a spirohydantoin derived from α-tetralone",
pages = "47",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6765"
}

Lazić, A. M., Đorđević, I. S., Radovanović, L. D., Popović, D. M., Rogan, J. R., Trišović, N. P.,& Janjić, G. V.. (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", Belgrade, 19th – 22nd September, 2023
COST Action CA21101 "COSY"., 47.
https://hdl.handle.net/21.15107/rcub_technorep_6765

Lazić AM, Đorđević IS, Radovanović LD, Popović DM, Rogan JR, Trišović NP, Janjić GV. 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", Belgrade, 19th – 22nd September, 2023. 2023;:47.
https://hdl.handle.net/21.15107/rcub_technorep_6765 .

Lazić, Anita M., Đorđević, Ivana S., Radovanović, Lidija D., Popović, Dragan M., Rogan, Jelena R., Trišović, Nemanja P., Janjić, Goran V., "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", Belgrade, 19th – 22nd September, 2023 (2023):47,
https://hdl.handle.net/21.15107/rcub_technorep_6765 .

TY  - CONF
AU  - Matović, Luka R.
AU  - Mašulović, Aleksandra D.
AU  - Lazić, Anita M.
AU  - Gak Simić, Kristina G.
AU  - Lađarević, Jelena M.
AU  - Trišović, Nemanja P.
AU  - Mijin, Dušan Ž.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6766
AB  - Pet novih jedinjenja na bazi stilbazolijum-soli, D-π-A strukture, sintetizovano je i detaljno
okarakterisano. Solvatohromizam sintetizovanih jedinjenja ispitan je korišćenjem četiri
rastvarača različite prirode pomoću UV-Vis spektroskopije. Takođe, ispitan je uticaj
različitih elektron-donorskih grupa na solvatohromna svojstva molekula. Zahvaljujući
prirodi kvaternarnog atoma azota, piridinijumov prsten u ovim jedinjenjima ispoljava jak
elektron-akceptorski karakter, promovišući intramolekulski transfer naelektrisanja.
Zahvaljujući ovom svojstvu, jedinjenja na bazi stilbazolijum-soli su primenu našla u
brojnim granama industrije i nauke.
AB  - Five novel dyes derived from stilbazolium salts, bearing D-π-A structure, were synthesized and completely characterized. The solvatochromism of the synthesized dyes was investigated using four different solvents by means of UV-Vis spectroscopy. Also, the influence of different electron-donor groups on the solvatochromic properties of dyes was examined. Due to the nature of the quaternary nitrogen atom, the pyridinium ring in these compounds exhibits a strong electron-accepting character, promoting intramolecular charge transfer. This property has enabled compounds derived from stilbazolium salts to find applications in numerous branches of industry and science.
PB  - Beograd : Srpsko hemijsko društvo
C3  - Kratki izvodi radova ; Knjiga radova / 59. savetovanje Srpskog hemijskog društva, Novi Sad 1. i 2. jun 2023. godine
T1  - Solvatohromna svojstva novih boja na bazi stilbazolijum-soli
T1  - Solvatochromic properties of novel dyes derived from stilbazolium salts
SP  - 103
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6766
ER  - 

@conference{
author = "Matović, Luka R. and Mašulović, Aleksandra D. and Lazić, Anita M. and Gak Simić, Kristina G. and Lađarević, Jelena M. and Trišović, Nemanja P. and Mijin, Dušan Ž.",
year = "2023",
abstract = "Pet novih jedinjenja na bazi stilbazolijum-soli, D-π-A strukture, sintetizovano je i detaljno
okarakterisano. Solvatohromizam sintetizovanih jedinjenja ispitan je korišćenjem četiri
rastvarača različite prirode pomoću UV-Vis spektroskopije. Takođe, ispitan je uticaj
različitih elektron-donorskih grupa na solvatohromna svojstva molekula. Zahvaljujući
prirodi kvaternarnog atoma azota, piridinijumov prsten u ovim jedinjenjima ispoljava jak
elektron-akceptorski karakter, promovišući intramolekulski transfer naelektrisanja.
Zahvaljujući ovom svojstvu, jedinjenja na bazi stilbazolijum-soli su primenu našla u
brojnim granama industrije i nauke., Five novel dyes derived from stilbazolium salts, bearing D-π-A structure, were synthesized and completely characterized. The solvatochromism of the synthesized dyes was investigated using four different solvents by means of UV-Vis spectroscopy. Also, the influence of different electron-donor groups on the solvatochromic properties of dyes was examined. Due to the nature of the quaternary nitrogen atom, the pyridinium ring in these compounds exhibits a strong electron-accepting character, promoting intramolecular charge transfer. This property has enabled compounds derived from stilbazolium salts to find applications in numerous branches of industry and science.",
publisher = "Beograd : Srpsko hemijsko društvo",
journal = "Kratki izvodi radova ; Knjiga radova / 59. savetovanje Srpskog hemijskog društva, Novi Sad 1. i 2. jun 2023. godine",
title = "Solvatohromna svojstva novih boja na bazi stilbazolijum-soli, Solvatochromic properties of novel dyes derived from stilbazolium salts",
pages = "103",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6766"
}

Matović, L. R., Mašulović, A. D., Lazić, A. M., Gak Simić, K. G., Lađarević, J. M., Trišović, N. P.,& Mijin, D. Ž.. (2023). Solvatohromna svojstva novih boja na bazi stilbazolijum-soli. in Kratki izvodi radova ; Knjiga radova / 59. savetovanje Srpskog hemijskog društva, Novi Sad 1. i 2. jun 2023. godine
Beograd : Srpsko hemijsko društvo., 103.
https://hdl.handle.net/21.15107/rcub_technorep_6766

Matović LR, Mašulović AD, Lazić AM, Gak Simić KG, Lađarević JM, Trišović NP, Mijin DŽ. Solvatohromna svojstva novih boja na bazi stilbazolijum-soli. in Kratki izvodi radova ; Knjiga radova / 59. savetovanje Srpskog hemijskog društva, Novi Sad 1. i 2. jun 2023. godine. 2023;:103.
https://hdl.handle.net/21.15107/rcub_technorep_6766 .

Matović, Luka R., Mašulović, Aleksandra D., Lazić, Anita M., Gak Simić, Kristina G., Lađarević, Jelena M., Trišović, Nemanja P., Mijin, Dušan Ž., "Solvatohromna svojstva novih boja na bazi stilbazolijum-soli" in Kratki izvodi radova ; Knjiga radova / 59. savetovanje Srpskog hemijskog društva, Novi Sad 1. i 2. jun 2023. godine (2023):103,
https://hdl.handle.net/21.15107/rcub_technorep_6766 .

TY  - CONF
AU  - Mašulović, Aleksandra
AU  - Svetozarević, Milica
AU  - Ivanovska, Aleksandra
AU  - Lazić, Anita
AU  - Tadić, Julijana
AU  - Mijin, Dušan
AU  - Lađarević, Jelena
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6666
AB  - Wide commercial application of azo pyridone dyes rests on the cost-effectiveness of their preparation and almost innumerable possibilities for the synthesis by combining various diazo and coupling pyridone components that enable tuning of targeted properties. The great significance of these dyes in the last few decades is due to their outstanding properties, such as vivid colors and good color fastness properties. Azo pyridone dyes are also applicable in different coloration related processes such as inkjet printing and liquid crystal displays. On the other hand, they are recognized as valuable compounds in biological studies, as they possess antioxidant, antimicrobial and antiproliferative properties. In this work, three novel 6-hydroxy-4-methyl-1-pyridinium-2-pyridone based dyes bearing three bioactive heterocyclic rings in their structures are synthesized, wherein thiazole based anilines (2-aminothiazole, 2-aminobenzothiazole, 6-methoxy-2-aminobenzothiazole) are used as diazo components. The compounds are characterized by melting points, NMR and FTIR spectroscopy. The solvatochromic properties are investigated in solvents of different properties. Furthermore, the antioxidant capacities of the compounds are evaluated by ABTS (2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) assay, while antimicrobial activity is determined by broth microdilution method against five bacterial strains (S. aureus, E. faecalis, B. subtilis, E. coli and K. pneumoniae) and one fungal strain (C. albicans).
AB  - Široka komercijalna upotreba piridonskih azo boja zasniva se na njihovoj relativno jeftinoj i jednostavnoj pripremi, kao i činjenici da se veliki broj kuplujućih i diazo komponenti mogu međusobno kombinovati kako bi se dobile boje odgovarajućih svojstava. Veliki značaj ovih boja poslednjih nekoliko decenija, ogleda se u njihovim istaknutim svojstvima kao što su živopisna obojenja i dobra postojanost. Ove boje, takođe, nalaze primenu u ink-džet štampi i LCD ekranima. Sa druge strane, ove boje predstavljaju značajna jedinjenja u biološkim studijama, jer poseduju antioksidativnu, antimikrobnu i antiproliferativnu aktivnost. U ovom radu, sintetisane su tri boje koje u svojoj strukturi obuhvataju tri bioakativna heterociklična jezgra, pri čemu je kao kuplujuća komponenta korišćen 6-hidroksi-4-metil-1-piridinijum-2-piridon, a kao diazo komponente anilini na bazi tiazola (2-aminotiazol, 2-aminobenzotiazol i 6-metoksi-2-aminobenzotiazol). Jedinjenja su okarakterisana temperaturom topljenja, NMR i FTIR spektroskopijama. Solvatohromna svojstva su ispitana u rastvaračima različitih svojstava. Antioksidativna aktivnost jedinjenja ispitana je ABTS (2,2'-azino-bis-3-etilbenzotiazolin-6-sulfonat) testom, dok je minimalna inhibitorna koncentracija ispitana primenom mikrodilucione metode u bujonu prema 5 bakterijskih sojeva (S. aureus, E. faecalis, B. subtilis, E. coli i K. pneumoniae), kao i prema oportunističkoj gljivici C. albicans.
PB  - Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku
C3  - Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac
T1  - Multipurpose azo pyridone dyes: synthesis, characterization, antioxidant and antimicrobial activity
T1  - Azo piridonske boje za višenamensku upotrebu: sinteza, karakterizacija, antioksidativna i antimikrobna aktivnost
EP  - 196
SP  - 191
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6666
ER  - 

@conference{
author = "Mašulović, Aleksandra and Svetozarević, Milica and Ivanovska, Aleksandra and Lazić, Anita and Tadić, Julijana and Mijin, Dušan and Lađarević, Jelena",
year = "2023",
abstract = "Wide commercial application of azo pyridone dyes rests on the cost-effectiveness of their preparation and almost innumerable possibilities for the synthesis by combining various diazo and coupling pyridone components that enable tuning of targeted properties. The great significance of these dyes in the last few decades is due to their outstanding properties, such as vivid colors and good color fastness properties. Azo pyridone dyes are also applicable in different coloration related processes such as inkjet printing and liquid crystal displays. On the other hand, they are recognized as valuable compounds in biological studies, as they possess antioxidant, antimicrobial and antiproliferative properties. In this work, three novel 6-hydroxy-4-methyl-1-pyridinium-2-pyridone based dyes bearing three bioactive heterocyclic rings in their structures are synthesized, wherein thiazole based anilines (2-aminothiazole, 2-aminobenzothiazole, 6-methoxy-2-aminobenzothiazole) are used as diazo components. The compounds are characterized by melting points, NMR and FTIR spectroscopy. The solvatochromic properties are investigated in solvents of different properties. Furthermore, the antioxidant capacities of the compounds are evaluated by ABTS (2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) assay, while antimicrobial activity is determined by broth microdilution method against five bacterial strains (S. aureus, E. faecalis, B. subtilis, E. coli and K. pneumoniae) and one fungal strain (C. albicans)., Široka komercijalna upotreba piridonskih azo boja zasniva se na njihovoj relativno jeftinoj i jednostavnoj pripremi, kao i činjenici da se veliki broj kuplujućih i diazo komponenti mogu međusobno kombinovati kako bi se dobile boje odgovarajućih svojstava. Veliki značaj ovih boja poslednjih nekoliko decenija, ogleda se u njihovim istaknutim svojstvima kao što su živopisna obojenja i dobra postojanost. Ove boje, takođe, nalaze primenu u ink-džet štampi i LCD ekranima. Sa druge strane, ove boje predstavljaju značajna jedinjenja u biološkim studijama, jer poseduju antioksidativnu, antimikrobnu i antiproliferativnu aktivnost. U ovom radu, sintetisane su tri boje koje u svojoj strukturi obuhvataju tri bioakativna heterociklična jezgra, pri čemu je kao kuplujuća komponenta korišćen 6-hidroksi-4-metil-1-piridinijum-2-piridon, a kao diazo komponente anilini na bazi tiazola (2-aminotiazol, 2-aminobenzotiazol i 6-metoksi-2-aminobenzotiazol). Jedinjenja su okarakterisana temperaturom topljenja, NMR i FTIR spektroskopijama. Solvatohromna svojstva su ispitana u rastvaračima različitih svojstava. Antioksidativna aktivnost jedinjenja ispitana je ABTS (2,2'-azino-bis-3-etilbenzotiazolin-6-sulfonat) testom, dok je minimalna inhibitorna koncentracija ispitana primenom mikrodilucione metode u bujonu prema 5 bakterijskih sojeva (S. aureus, E. faecalis, B. subtilis, E. coli i K. pneumoniae), kao i prema oportunističkoj gljivici C. albicans.",
publisher = "Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku",
journal = "Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac",
title = "Multipurpose azo pyridone dyes: synthesis, characterization, antioxidant and antimicrobial activity, Azo piridonske boje za višenamensku upotrebu: sinteza, karakterizacija, antioksidativna i antimikrobna aktivnost",
pages = "196-191",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6666"
}

Mašulović, A., Svetozarević, M., Ivanovska, A., Lazić, A., Tadić, J., Mijin, D.,& Lađarević, J.. (2023). Multipurpose azo pyridone dyes: synthesis, characterization, antioxidant and antimicrobial activity. in Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac
Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku., 191-196.
https://hdl.handle.net/21.15107/rcub_technorep_6666

Mašulović A, Svetozarević M, Ivanovska A, Lazić A, Tadić J, Mijin D, Lađarević J. Multipurpose azo pyridone dyes: synthesis, characterization, antioxidant and antimicrobial activity. in Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac. 2023;:191-196.
https://hdl.handle.net/21.15107/rcub_technorep_6666 .

Mašulović, Aleksandra, Svetozarević, Milica, Ivanovska, Aleksandra, Lazić, Anita, Tadić, Julijana, Mijin, Dušan, Lađarević, Jelena, "Multipurpose azo pyridone dyes: synthesis, characterization, antioxidant and antimicrobial activity" in Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac (2023):191-196,
https://hdl.handle.net/21.15107/rcub_technorep_6666 .

TY  - CONF
AU  - Mašulović, Aleksandra
AU  - Ivanovska, Aleksandra
AU  - Kostić, Mirjana
AU  - Lazić, Anita
AU  - Matović, Luka
AU  - Mijin, Dušan
AU  - Lađarević, Jelena
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6817
AB  - The reduction of water pollution represents one of the priority topics of the EU’s goal to achieve
climate neutrality by 2050. Considering this, the concept of reusing the same dyebath for
multiple dyeing cycles is proposed. For this purpose, two pyridinium-based azo pyridone dyes
with improved solubility and affinity towards different fibers, are used for dyeing wool fabric.
It is demonstrated that the dye concentration in wastewater could be reduced up to four times
by recirculation of the same dyebath 5 times. The dyed fabrics obtained in each cycle are further
characterized regarding color strength (K/S) and ultraviolet protection factor (UPF), while their
antioxidant potential is evaluated by ABTS (2,2’-azino-bis(3-ethylbenzothiazoline-6-sulphonic
acid)) test. The results revealed that the proposed concept could be used for obtaining
multifunctional wool fabrics by following the principles of sustainable development of reducing
the effluent load in wastewater.
PB  - Szeged, Hungary : University of Szeged
C3  - Proceedings / 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023
T1  - ADDRESSING THE ENVIRONMENTAL PROBLEMS OF WASTEWATER: REDUCING THE POLLUTION WHILE PROVIDING MULTIFUNCTIONAL WOOL FABRICS
EP  - 219
SP  - 216
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6817
ER  - 

@conference{
author = "Mašulović, Aleksandra and Ivanovska, Aleksandra and Kostić, Mirjana and Lazić, Anita and Matović, Luka and Mijin, Dušan and Lađarević, Jelena",
year = "2023",
abstract = "The reduction of water pollution represents one of the priority topics of the EU’s goal to achieve
climate neutrality by 2050. Considering this, the concept of reusing the same dyebath for
multiple dyeing cycles is proposed. For this purpose, two pyridinium-based azo pyridone dyes
with improved solubility and affinity towards different fibers, are used for dyeing wool fabric.
It is demonstrated that the dye concentration in wastewater could be reduced up to four times
by recirculation of the same dyebath 5 times. The dyed fabrics obtained in each cycle are further
characterized regarding color strength (K/S) and ultraviolet protection factor (UPF), while their
antioxidant potential is evaluated by ABTS (2,2’-azino-bis(3-ethylbenzothiazoline-6-sulphonic
acid)) test. The results revealed that the proposed concept could be used for obtaining
multifunctional wool fabrics by following the principles of sustainable development of reducing
the effluent load in wastewater.",
publisher = "Szeged, Hungary : University of Szeged",
journal = "Proceedings / 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023",
title = "ADDRESSING THE ENVIRONMENTAL PROBLEMS OF WASTEWATER: REDUCING THE POLLUTION WHILE PROVIDING MULTIFUNCTIONAL WOOL FABRICS",
pages = "219-216",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6817"
}

Mašulović, A., Ivanovska, A., Kostić, M., Lazić, A., Matović, L., Mijin, D.,& Lađarević, J.. (2023). ADDRESSING THE ENVIRONMENTAL PROBLEMS OF WASTEWATER: REDUCING THE POLLUTION WHILE PROVIDING MULTIFUNCTIONAL WOOL FABRICS. in Proceedings / 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023
Szeged, Hungary : University of Szeged., 216-219.
https://hdl.handle.net/21.15107/rcub_technorep_6817

Mašulović A, Ivanovska A, Kostić M, Lazić A, Matović L, Mijin D, Lađarević J. ADDRESSING THE ENVIRONMENTAL PROBLEMS OF WASTEWATER: REDUCING THE POLLUTION WHILE PROVIDING MULTIFUNCTIONAL WOOL FABRICS. in Proceedings / 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023. 2023;:216-219.
https://hdl.handle.net/21.15107/rcub_technorep_6817 .

Mašulović, Aleksandra, Ivanovska, Aleksandra, Kostić, Mirjana, Lazić, Anita, Matović, Luka, Mijin, Dušan, Lađarević, Jelena, "ADDRESSING THE ENVIRONMENTAL PROBLEMS OF WASTEWATER: REDUCING THE POLLUTION WHILE PROVIDING MULTIFUNCTIONAL WOOL FABRICS" in Proceedings / 29th International Symposium on Analytical and Environmental Problems, Szeged, Hungary, November 13-14, 2023 (2023):216-219,
https://hdl.handle.net/21.15107/rcub_technorep_6817 .

TY  - CONF
AU  - Lazić, Anita
AU  - Matović, Luka
AU  - Lađarević, Jelena
AU  - Mašulović, Aleksandra
AU  - Gak Simić, Kristina
AU  - Valentić, Nataša
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6769
AB  - Ferrocene derivatives are known as antioxidants, antiparasitic, antitumor, antiviral, antibacterial and antifungal agents. In addition to applications in medicinal chemistry and drug design,
ferrocene derivatives are of exceptional importance in synthetic organic chemistry, especially in
catalytic asymmetric transformations. They are also used in electrochemistry and polymer chemistry, as additives in fuels, as chemosensors in agrochemistry and biosensors of glucose and active
components in molecular electronics. To design new antioxidant agents, five ferrocenyl chalcones
were synthesized, and fully characterized by melting points, FT-IR, 1H and 13C NMR spectroscopic
methods. The synthesized chalcones differ in the nature and the position of the substituent attached
to the phenyl group in position 1 of the linear unsaturated carbonyl system. The potential antioxidant activity of the synthesized compounds was evaluated using the ABTS (2,2'-azinobis-(3-
ethylbenzothiazoline-6-sulfonic acid) method and IC50 values of the most effective compounds were
further determined.
AB  - Derivati ferocena su poznati antioksidansi, antiparazitici, antitumorni, antivirusni, antibakterijski i antifungalni agensi. Pored primene u medicinskoj hemiji, derivati ferocena su od izuzetnog
značaja u sintetičkoj organskoj hemiji, naročito u katalizovanim asimetričnim sintezama. Primenjuju se i u elektrohemiji i hemiji polimera, kao aditivi u gorivima, kao hemosenzori u agrohemiji i
biosenzori glukoze i aktivnih komponenata u molekularnoj elektronici. U cilju dizajniranja novih
antioksidativnih agenasa, u ovom radu, sintetisano je pet ferocenilhalkona koji su u potpunosti
strukturno okarakterisani određivanjem temperature toplenja, FT-IR, 1H i 13C NMR spektroskopskim metodama. Sintetisani halkoni međusobno se razlikuju prema vrsti i položaju supstituenta na
fenil-grupi u položaju 1 linearnog nezasićenog karbonilnog sistema. Potencijalna antioksidativna
aktivnost ovih jedinjenja procenjena je primenom ABTS (2,2'-azinobis-(3-etilbenzotiazolin-6-
sulfonska kiselina) metode i određivanjem IC50 vrednosti najefikasnijih jedinjenja.
PB  - Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku
C3  - Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac
T1  - In vitro antioxidant activity evaluation of ferrocenyl chalcones
T1  - In vitro određivanje antioksidativne aktivnosti halkona na bazi ferocena
EP  - 213
SP  - 207
DO  - 10.24094/ptk.023.207
ER  - 

@conference{
author = "Lazić, Anita and Matović, Luka and Lađarević, Jelena and Mašulović, Aleksandra and Gak Simić, Kristina and Valentić, Nataša",
year = "2023",
abstract = "Ferrocene derivatives are known as antioxidants, antiparasitic, antitumor, antiviral, antibacterial and antifungal agents. In addition to applications in medicinal chemistry and drug design,
ferrocene derivatives are of exceptional importance in synthetic organic chemistry, especially in
catalytic asymmetric transformations. They are also used in electrochemistry and polymer chemistry, as additives in fuels, as chemosensors in agrochemistry and biosensors of glucose and active
components in molecular electronics. To design new antioxidant agents, five ferrocenyl chalcones
were synthesized, and fully characterized by melting points, FT-IR, 1H and 13C NMR spectroscopic
methods. The synthesized chalcones differ in the nature and the position of the substituent attached
to the phenyl group in position 1 of the linear unsaturated carbonyl system. The potential antioxidant activity of the synthesized compounds was evaluated using the ABTS (2,2'-azinobis-(3-
ethylbenzothiazoline-6-sulfonic acid) method and IC50 values of the most effective compounds were
further determined., Derivati ferocena su poznati antioksidansi, antiparazitici, antitumorni, antivirusni, antibakterijski i antifungalni agensi. Pored primene u medicinskoj hemiji, derivati ferocena su od izuzetnog
značaja u sintetičkoj organskoj hemiji, naročito u katalizovanim asimetričnim sintezama. Primenjuju se i u elektrohemiji i hemiji polimera, kao aditivi u gorivima, kao hemosenzori u agrohemiji i
biosenzori glukoze i aktivnih komponenata u molekularnoj elektronici. U cilju dizajniranja novih
antioksidativnih agenasa, u ovom radu, sintetisano je pet ferocenilhalkona koji su u potpunosti
strukturno okarakterisani određivanjem temperature toplenja, FT-IR, 1H i 13C NMR spektroskopskim metodama. Sintetisani halkoni međusobno se razlikuju prema vrsti i položaju supstituenta na
fenil-grupi u položaju 1 linearnog nezasićenog karbonilnog sistema. Potencijalna antioksidativna
aktivnost ovih jedinjenja procenjena je primenom ABTS (2,2'-azinobis-(3-etilbenzotiazolin-6-
sulfonska kiselina) metode i određivanjem IC50 vrednosti najefikasnijih jedinjenja.",
publisher = "Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku",
journal = "Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac",
title = "In vitro antioxidant activity evaluation of ferrocenyl chalcones, In vitro određivanje antioksidativne aktivnosti halkona na bazi ferocena",
pages = "213-207",
doi = "10.24094/ptk.023.207"
}

Lazić, A., Matović, L., Lađarević, J., Mašulović, A., Gak Simić, K.,& Valentić, N.. (2023). In vitro antioxidant activity evaluation of ferrocenyl chalcones. in Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac
Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku., 207-213.
https://doi.org/10.24094/ptk.023.207

Lazić A, Matović L, Lađarević J, Mašulović A, Gak Simić K, Valentić N. In vitro antioxidant activity evaluation of ferrocenyl chalcones. in Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac. 2023;:207-213.
doi:10.24094/ptk.023.207 .

Lazić, Anita, Matović, Luka, Lađarević, Jelena, Mašulović, Aleksandra, Gak Simić, Kristina, Valentić, Nataša, "In vitro antioxidant activity evaluation of ferrocenyl chalcones" in Zbornik radova / 36. Međunarodni kongres o procesnoj industriji, PROCESING '23, 1 i 2. jun 2023, Šabac (2023):207-213,
https://doi.org/10.24094/ptk.023.207 . .

TY  - CONF
AU  - Lazić, Anita M.
AU  - Mašulović, Aleksandra D.
AU  - Lađarević, Jelena M.
AU  - Valentić, Nataša V.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6775
AB  - Xanthendiones (1,8-dioxooctahydroxanthenes) are a special class of oxygenincorporating tricyclic compounds bearing as a basic feature a pyran nucleus fused on either side with cyclohex-2-enone rings. They are often found as a structural motif in natural products with a wide range of biological activities, such as: antioxidant, antimicrobial, trypanocidal, antiinflammatory, antiproliferative
and anticancer. A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1‒7 and one structurally-related xanthenone 8 through condensation of dimedone and the appropriate aromatic aldehyde is reported. The relationship between the chemical structure and pharmacological activity was determined empirically using appropriate software packages and in vitro using the 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) method. The results of the ABTS assay indicate that five compounds possess the ability to scavenge the ABTS•+ radical cation. Based on the comparison of the IC50 values, the activity of the compounds was found to be as follows: 6 > 1 > 7 > 2 > 8.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists Club
C3  - Book of abstracts / 9th Conference of the Young Chemists of Serbia, 4th November 2023, Novi Sad
T1  - In vitro antioxidant activity evaluation of selected xanthene derivatives
SP  - 70
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6775
ER  - 

@conference{
author = "Lazić, Anita M. and Mašulović, Aleksandra D. and Lađarević, Jelena M. and Valentić, Nataša V.",
year = "2023",
abstract = "Xanthendiones (1,8-dioxooctahydroxanthenes) are a special class of oxygenincorporating tricyclic compounds bearing as a basic feature a pyran nucleus fused on either side with cyclohex-2-enone rings. They are often found as a structural motif in natural products with a wide range of biological activities, such as: antioxidant, antimicrobial, trypanocidal, antiinflammatory, antiproliferative
and anticancer. A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1‒7 and one structurally-related xanthenone 8 through condensation of dimedone and the appropriate aromatic aldehyde is reported. The relationship between the chemical structure and pharmacological activity was determined empirically using appropriate software packages and in vitro using the 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) method. The results of the ABTS assay indicate that five compounds possess the ability to scavenge the ABTS•+ radical cation. Based on the comparison of the IC50 values, the activity of the compounds was found to be as follows: 6 > 1 > 7 > 2 > 8.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists Club",
journal = "Book of abstracts / 9th Conference of the Young Chemists of Serbia, 4th November 2023, Novi Sad",
title = "In vitro antioxidant activity evaluation of selected xanthene derivatives",
pages = "70",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6775"
}

Lazić, A. M., Mašulović, A. D., Lađarević, J. M.,& Valentić, N. V.. (2023). In vitro antioxidant activity evaluation of selected xanthene derivatives. in Book of abstracts / 9th Conference of the Young Chemists of Serbia, 4th November 2023, Novi Sad
Belgrade : Serbian Chemical Society., 70.
https://hdl.handle.net/21.15107/rcub_technorep_6775

Lazić AM, Mašulović AD, Lađarević JM, Valentić NV. In vitro antioxidant activity evaluation of selected xanthene derivatives. in Book of abstracts / 9th Conference of the Young Chemists of Serbia, 4th November 2023, Novi Sad. 2023;:70.
https://hdl.handle.net/21.15107/rcub_technorep_6775 .

Lazić, Anita M., Mašulović, Aleksandra D., Lađarević, Jelena M., Valentić, Nataša V., "In vitro antioxidant activity evaluation of selected xanthene derivatives" in Book of abstracts / 9th Conference of the Young Chemists of Serbia, 4th November 2023, Novi Sad (2023):70,
https://hdl.handle.net/21.15107/rcub_technorep_6775 .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Mašulović, Aleksandra D.
AU  - Lađarević, Jelena M.
AU  - Valentić, Nataša V.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6809
AB  - A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1‒7 and one structurally-related xanthenone 8 through condensation of dimedone and the appropriate aromatic aldehyde is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, 1H-, 13C-NMR and UV–Vis spectroscopic methods. The relationship between the chemical structure and pharmacological activity was determined empirically using appropriate software packages and in vitro using the 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) method. The results of in silico prediction suggested that all investigated compounds possess good oral bioavailability. The results of the ABTS assay indicate that five compounds possess the ability to scavenge the ABTS•+ radical cation. Based on the comparison of the IC50 values, the activity of the compounds was found to be as follows: 6 > 1 > 7 > 2 > 8. The effects of solvent dipolarity/polarizability and solute solvent–hydrogen-bonding interactions on the shifts of the absorption maxima were rationalized by means of the linear solvation energy relationship concepts proposed by Kamlet–Taft and Catalán.
AB  - U ovom radu, predstavljena je jednostavna metoda u dva koraka za sintezu sedam derivata ksantendiona i jednog derivata ksantenona koji sadrže različite aromatične supstituente, polazeći od dimedona i odgovarajućih aromatičnih aldehida. Karakterizacija sintetisanih jedinjenja izvršena je određivanjem temperature topljenja, kao i primenom elementalne analize, FT-IR, 1 H-NMR i 13C-NMR spektroskopskih metoda. Veza između hemijske strukture ovih jedinjenja i njihove farmakološke aktivnosti uspostavljena je empirijski korišćenjem odgovarajućih softverskih paketa (za predikckciju farmakološke aktivnosti) i in vitro određivanjem njihove antioksidativne aktivnosti primenom ABTS metode. Rezultati ABTS metode pokazuju da od celokupne serije testiranih jedinjenja, pet jedinjenja pokazuje značajnu antioksidativnu aktivnost. Na osnovu međusobnog poređenja IC50 vrednosti ispitivanih jedinjenja pokazano je da njihova antioksidativna aktivnost opada u sledećem nizu: 6 > 1 > 7 > 2 > 8. Jedinjenje 6 je najaktivnije u analiziranoj seriji i ima IC50 vrednost približne vrednosti kao askorbinska kiselina. Rezultati solvatohromnih jednačina koje su razvili Kamlet (Kamlet), Taft (Taft) i Katalan (Catalán), ukazuju da položaj apsorpcionih maksimuma proučavanih jedinjenja zavisi od prirode (polarnosti i kiselo-baznih svojstava) upotrebljenih rastvarača. Sa visokim vrednostima antioksidativne aktivnosti i dobrom oralnom bioraspoloživošću, derivati ksantendiona i ksantenona sa aromatičnim supstituentima, predstavljaju dobru polaznu osnovu za sintezu novih farmakološki aktivnih jedinjenja i bolje razumevanje uticaja strukture na farmakološku aktivnost.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Assessing the pharmacological potential of selected xanthene derivatives
T1  - Određivanje farmakološke aktivnosti derivata ksantena
EP  - 824
IS  - 9
SP  - 811
VL  - 88
DO  - 10.2298/JSC230131035L
ER  - 

@article{
author = "Lazić, Anita M. and Mašulović, Aleksandra D. and Lađarević, Jelena M. and Valentić, Nataša V.",
year = "2023",
abstract = "A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1‒7 and one structurally-related xanthenone 8 through condensation of dimedone and the appropriate aromatic aldehyde is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, 1H-, 13C-NMR and UV–Vis spectroscopic methods. The relationship between the chemical structure and pharmacological activity was determined empirically using appropriate software packages and in vitro using the 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) method. The results of in silico prediction suggested that all investigated compounds possess good oral bioavailability. The results of the ABTS assay indicate that five compounds possess the ability to scavenge the ABTS•+ radical cation. Based on the comparison of the IC50 values, the activity of the compounds was found to be as follows: 6 > 1 > 7 > 2 > 8. The effects of solvent dipolarity/polarizability and solute solvent–hydrogen-bonding interactions on the shifts of the absorption maxima were rationalized by means of the linear solvation energy relationship concepts proposed by Kamlet–Taft and Catalán., U ovom radu, predstavljena je jednostavna metoda u dva koraka za sintezu sedam derivata ksantendiona i jednog derivata ksantenona koji sadrže različite aromatične supstituente, polazeći od dimedona i odgovarajućih aromatičnih aldehida. Karakterizacija sintetisanih jedinjenja izvršena je određivanjem temperature topljenja, kao i primenom elementalne analize, FT-IR, 1 H-NMR i 13C-NMR spektroskopskih metoda. Veza između hemijske strukture ovih jedinjenja i njihove farmakološke aktivnosti uspostavljena je empirijski korišćenjem odgovarajućih softverskih paketa (za predikckciju farmakološke aktivnosti) i in vitro određivanjem njihove antioksidativne aktivnosti primenom ABTS metode. Rezultati ABTS metode pokazuju da od celokupne serije testiranih jedinjenja, pet jedinjenja pokazuje značajnu antioksidativnu aktivnost. Na osnovu međusobnog poređenja IC50 vrednosti ispitivanih jedinjenja pokazano je da njihova antioksidativna aktivnost opada u sledećem nizu: 6 > 1 > 7 > 2 > 8. Jedinjenje 6 je najaktivnije u analiziranoj seriji i ima IC50 vrednost približne vrednosti kao askorbinska kiselina. Rezultati solvatohromnih jednačina koje su razvili Kamlet (Kamlet), Taft (Taft) i Katalan (Catalán), ukazuju da položaj apsorpcionih maksimuma proučavanih jedinjenja zavisi od prirode (polarnosti i kiselo-baznih svojstava) upotrebljenih rastvarača. Sa visokim vrednostima antioksidativne aktivnosti i dobrom oralnom bioraspoloživošću, derivati ksantendiona i ksantenona sa aromatičnim supstituentima, predstavljaju dobru polaznu osnovu za sintezu novih farmakološki aktivnih jedinjenja i bolje razumevanje uticaja strukture na farmakološku aktivnost.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Assessing the pharmacological potential of selected xanthene derivatives, Određivanje farmakološke aktivnosti derivata ksantena",
pages = "824-811",
number = "9",
volume = "88",
doi = "10.2298/JSC230131035L"
}

Lazić, A. M., Mašulović, A. D., Lađarević, J. M.,& Valentić, N. V.. (2023). Assessing the pharmacological potential of selected xanthene derivatives. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 88(9), 811-824.
https://doi.org/10.2298/JSC230131035L

Lazić AM, Mašulović AD, Lađarević JM, Valentić NV. Assessing the pharmacological potential of selected xanthene derivatives. in Journal of the Serbian Chemical Society. 2023;88(9):811-824.
doi:10.2298/JSC230131035L .

Lazić, Anita M., Mašulović, Aleksandra D., Lađarević, Jelena M., Valentić, Nataša V., "Assessing the pharmacological potential of selected xanthene derivatives" in Journal of the Serbian Chemical Society, 88, no. 9 (2023):811-824,
https://doi.org/10.2298/JSC230131035L . .

TY  - DATA
AU  - Lazić, Anita M.
AU  - Mašulović, Aleksandra D.
AU  - Lađarević, Jelena M.
AU  - Valentić, Nataša V.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6810
AB  - A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1‒7 and one structurally-related xanthenone 8 through condensation of dimedone and the appropriate aromatic aldehyde is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, 1H-, 13C-NMR and UV–Vis spectroscopic methods. The relationship between the chemical structure and pharmacological activity was determined empirically using appropriate software packages and in vitro using the 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) method. The results of in silico prediction suggested that all investigated compounds possess good oral bioavailability. The results of the ABTS assay indicate that five compounds possess the ability to scavenge the ABTS•+ radical cation. Based on the comparison of the IC50 values, the activity of the compounds was found to be as follows: 6 > 1 > 7 > 2 > 8. The effects of solvent dipolarity/polarizability and solute solvent–hydrogen-bonding interactions on the shifts of the absorption maxima were rationalized by means of the linear solvation energy relationship concepts proposed by Kamlet–Taft and Catalán.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Supplementary material for the article: Lazić, A. M.; Mašulović, A. D.; Lađarević, J. M.; Valentić, N. V. Assessing the pharmacological potential of selected xanthene derivatives. Journal of the Serbian Chemical Society 2023, 88(9), 811-824. https://doi.org/10.2298/JSC230131035L
EP  - S241
IS  - 9
SP  - S216
VL  - 88
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6810
ER  - 

@misc{
author = "Lazić, Anita M. and Mašulović, Aleksandra D. and Lađarević, Jelena M. and Valentić, Nataša V.",
year = "2023",
abstract = "A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1‒7 and one structurally-related xanthenone 8 through condensation of dimedone and the appropriate aromatic aldehyde is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, 1H-, 13C-NMR and UV–Vis spectroscopic methods. The relationship between the chemical structure and pharmacological activity was determined empirically using appropriate software packages and in vitro using the 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) method. The results of in silico prediction suggested that all investigated compounds possess good oral bioavailability. The results of the ABTS assay indicate that five compounds possess the ability to scavenge the ABTS•+ radical cation. Based on the comparison of the IC50 values, the activity of the compounds was found to be as follows: 6 > 1 > 7 > 2 > 8. The effects of solvent dipolarity/polarizability and solute solvent–hydrogen-bonding interactions on the shifts of the absorption maxima were rationalized by means of the linear solvation energy relationship concepts proposed by Kamlet–Taft and Catalán.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Supplementary material for the article: Lazić, A. M.; Mašulović, A. D.; Lađarević, J. M.; Valentić, N. V. Assessing the pharmacological potential of selected xanthene derivatives. Journal of the Serbian Chemical Society 2023, 88(9), 811-824. https://doi.org/10.2298/JSC230131035L",
pages = "S241-S216",
number = "9",
volume = "88",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6810"
}

Lazić, A. M., Mašulović, A. D., Lađarević, J. M.,& Valentić, N. V.. (2023). Supplementary material for the article: Lazić, A. M.; Mašulović, A. D.; Lađarević, J. M.; Valentić, N. V. Assessing the pharmacological potential of selected xanthene derivatives. Journal of the Serbian Chemical Society 2023, 88(9), 811-824. https://doi.org/10.2298/JSC230131035L. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 88(9), S216-S241.
https://hdl.handle.net/21.15107/rcub_technorep_6810

Lazić AM, Mašulović AD, Lađarević JM, Valentić NV. Supplementary material for the article: Lazić, A. M.; Mašulović, A. D.; Lađarević, J. M.; Valentić, N. V. Assessing the pharmacological potential of selected xanthene derivatives. Journal of the Serbian Chemical Society 2023, 88(9), 811-824. https://doi.org/10.2298/JSC230131035L. in Journal of the Serbian Chemical Society. 2023;88(9):S216-S241.
https://hdl.handle.net/21.15107/rcub_technorep_6810 .

Lazić, Anita M., Mašulović, Aleksandra D., Lađarević, Jelena M., Valentić, Nataša V., "Supplementary material for the article: Lazić, A. M.; Mašulović, A. D.; Lađarević, J. M.; Valentić, N. V. Assessing the pharmacological potential of selected xanthene derivatives. Journal of the Serbian Chemical Society 2023, 88(9), 811-824. https://doi.org/10.2298/JSC230131035L" in Journal of the Serbian Chemical Society, 88, no. 9 (2023):S216-S241,
https://hdl.handle.net/21.15107/rcub_technorep_6810 .

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  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6941
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
EP  - 206
SP  - 202
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6941
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 = "206-202",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6941"
}

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_technorep_6941

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_technorep_6941 .

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_technorep_6941 .

TY  - CONF
AU  - Đaković-Sekulić, Tatjana
AU  - Mandić, Anamarija
AU  - Lazić, Anita
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6858
AB  - In recent years spiro compounds have attracted significant interest due to their unique
conformational features and their structural implications on biological systems. Since spiro
compounds contain two rings with only one shared atom have a good balance between
conformational restriction and flexibility, makes them adaptable to many biological targets.
Therefore, knowledge of their interactions in aqueous systems is of crucial importance for
the understanding of biological response and hence the initial step for the selection of the
compound for the drug candidate.
In this poster presentation the retention data for two series of spiro compounds
derivatives of β-tetralino-spiro-5-hydantoins with a 4-substituted benzyl group or a 2-(4-
substituted phenyl)-2-oxoethyl group in the position 3 (structures presented in Figure 1)
were investigated.
The attention of this work will be focused on the evaluation of chromatographic
lipophilicity parameters determined by means of reversed-phase thin layer chromatography
(RP-TLC) and reversed phase high-performance liquid chromatography (RP-HPLC).
Principal Component Analysis (PCA) will be used in order to find similarities and
differences among the investigated compounds, their retention data and structural
parameters relevant for the activity.
PB  - Budapest : Research Centre for Natural Sciences, Institute of Excellence, Hungarian Academy of Sciences
C3  - Book of Abstracts / Conferentia  Chemometrica 2023, An international conference on chemometrics and  cheminformatics, Sopron, September 10-13, 2023
T1  - QSRR study of β-tetralino-spiro-5-hydantoin derivatives
SP  - P07
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6858
ER  - 

@conference{
author = "Đaković-Sekulić, Tatjana and Mandić, Anamarija and Lazić, Anita",
year = "2023",
abstract = "In recent years spiro compounds have attracted significant interest due to their unique
conformational features and their structural implications on biological systems. Since spiro
compounds contain two rings with only one shared atom have a good balance between
conformational restriction and flexibility, makes them adaptable to many biological targets.
Therefore, knowledge of their interactions in aqueous systems is of crucial importance for
the understanding of biological response and hence the initial step for the selection of the
compound for the drug candidate.
In this poster presentation the retention data for two series of spiro compounds
derivatives of β-tetralino-spiro-5-hydantoins with a 4-substituted benzyl group or a 2-(4-
substituted phenyl)-2-oxoethyl group in the position 3 (structures presented in Figure 1)
were investigated.
The attention of this work will be focused on the evaluation of chromatographic
lipophilicity parameters determined by means of reversed-phase thin layer chromatography
(RP-TLC) and reversed phase high-performance liquid chromatography (RP-HPLC).
Principal Component Analysis (PCA) will be used in order to find similarities and
differences among the investigated compounds, their retention data and structural
parameters relevant for the activity.",
publisher = "Budapest : Research Centre for Natural Sciences, Institute of Excellence, Hungarian Academy of Sciences",
journal = "Book of Abstracts / Conferentia  Chemometrica 2023, An international conference on chemometrics and  cheminformatics, Sopron, September 10-13, 2023",
title = "QSRR study of β-tetralino-spiro-5-hydantoin derivatives",
pages = "P07",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6858"
}

Đaković-Sekulić, T., Mandić, A.,& Lazić, A.. (2023). QSRR study of β-tetralino-spiro-5-hydantoin derivatives. in Book of Abstracts / Conferentia  Chemometrica 2023, An international conference on chemometrics and  cheminformatics, Sopron, September 10-13, 2023
Budapest : Research Centre for Natural Sciences, Institute of Excellence, Hungarian Academy of Sciences., P07.
https://hdl.handle.net/21.15107/rcub_technorep_6858

Đaković-Sekulić T, Mandić A, Lazić A. QSRR study of β-tetralino-spiro-5-hydantoin derivatives. in Book of Abstracts / Conferentia  Chemometrica 2023, An international conference on chemometrics and  cheminformatics, Sopron, September 10-13, 2023. 2023;:P07.
https://hdl.handle.net/21.15107/rcub_technorep_6858 .

Đaković-Sekulić, Tatjana, Mandić, Anamarija, Lazić, Anita, "QSRR study of β-tetralino-spiro-5-hydantoin derivatives" in Book of Abstracts / Conferentia  Chemometrica 2023, An international conference on chemometrics and  cheminformatics, Sopron, September 10-13, 2023 (2023):P07,
https://hdl.handle.net/21.15107/rcub_technorep_6858 .

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  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6504
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
EP  - 3654
IS  - 25
SP  - 3637
VL  - 25
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",
pages = "3654-3637",
number = "25",
volume = "25",
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(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(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, no. 25 (2023):3637-3654,
https://doi.org/10.1039/d3ce00213f . .

TY  - CONF
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Rogan, Jelena R.
AU  - Trišović, Nemanja P.
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6774
AB  - The wide range of pharmacological activities (e.g. antiviral, antifungal, antibacterical,
antiinflamatory, leishmanicidal and antidepresant) has already been attributed to the
xanthenediones, a group of synthetic heterocyclic compounds possessing a pyran
nucleus fused on either side with cyclohex-2-enone rings [1]. In this work, two 3,3,6,6-
tetramethyl-9-substituted-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-diones (Figure
1) were synthesized and their crystal stuctures were determined by single crystal X-ray
diffraction. The main structural feature in compound 1 is a supramolecular chain along
the a-axis formed by O4–H4···O2 hydrogen bond and C13–H13···O4 and Br1···Br2
interactions between the adjacent asymmetric units, while the formation of
supramolecular network is further achieved by C–H···π interactions between the
adjacent chains. The main motif in 2 is a dimer formed via O4–H4···O2 hydrogen bond
and Cl1···π interactions. The neighbouring dimers are connected through strong C7–
H7A···π interactions, thus resulting in formation of a zigzag chain parallel to the c-axis.
Weak C–H···π interactions link the adjacent chains into a supramolecular layer. This
work may provide a basis for design of new biologically active xanthenediones both at
the molecular and supramolecular level.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists Club
C3  - Book of abstracts / 8th Conference of the Young Chemists of Serbia, Belgrade, 29th October 2022
T1  - Supramolecular architectures of selected xanthenedione derivatives
SP  - 117
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6774
ER  - 

@conference{
author = "Lazić, Anita M. and Radovanović, Lidija D. and Rogan, Jelena R. and Trišović, Nemanja P.",
year = "2022",
abstract = "The wide range of pharmacological activities (e.g. antiviral, antifungal, antibacterical,
antiinflamatory, leishmanicidal and antidepresant) has already been attributed to the
xanthenediones, a group of synthetic heterocyclic compounds possessing a pyran
nucleus fused on either side with cyclohex-2-enone rings [1]. In this work, two 3,3,6,6-
tetramethyl-9-substituted-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-diones (Figure
1) were synthesized and their crystal stuctures were determined by single crystal X-ray
diffraction. The main structural feature in compound 1 is a supramolecular chain along
the a-axis formed by O4–H4···O2 hydrogen bond and C13–H13···O4 and Br1···Br2
interactions between the adjacent asymmetric units, while the formation of
supramolecular network is further achieved by C–H···π interactions between the
adjacent chains. The main motif in 2 is a dimer formed via O4–H4···O2 hydrogen bond
and Cl1···π interactions. The neighbouring dimers are connected through strong C7–
H7A···π interactions, thus resulting in formation of a zigzag chain parallel to the c-axis.
Weak C–H···π interactions link the adjacent chains into a supramolecular layer. This
work may provide a basis for design of new biologically active xanthenediones both at
the molecular and supramolecular level.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists Club",
journal = "Book of abstracts / 8th Conference of the Young Chemists of Serbia, Belgrade, 29th October 2022",
title = "Supramolecular architectures of selected xanthenedione derivatives",
pages = "117",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6774"
}

Lazić, A. M., Radovanović, L. D., Rogan, J. R.,& Trišović, N. P.. (2022). Supramolecular architectures of selected xanthenedione derivatives. in Book of abstracts / 8th Conference of the Young Chemists of Serbia, Belgrade, 29th October 2022
Belgrade : Serbian Chemical Society., 117.
https://hdl.handle.net/21.15107/rcub_technorep_6774

Lazić AM, Radovanović LD, Rogan JR, Trišović NP. Supramolecular architectures of selected xanthenedione derivatives. in Book of abstracts / 8th Conference of the Young Chemists of Serbia, Belgrade, 29th October 2022. 2022;:117.
https://hdl.handle.net/21.15107/rcub_technorep_6774 .

Lazić, Anita M., Radovanović, Lidija D., Rogan, Jelena R., Trišović, Nemanja P., "Supramolecular architectures of selected xanthenedione derivatives" in Book of abstracts / 8th Conference of the Young Chemists of Serbia, Belgrade, 29th October 2022 (2022):117,
https://hdl.handle.net/21.15107/rcub_technorep_6774 .

TY  - CONF
AU  - Lazić, Anita
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Janjić, Goran
AU  - Trišović, Nemanja
AU  - Đorđević, Ivana
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6767
AB  - Derivat cikloheksan-5-spirohidantoina (Slika 1) je sintetisan, određena je njegova kristalna
struktura i urađena kvantno-hemijska analiza. Kristalno pakovanje grade mreže
supramolekulskih R6
4
(32) prstenova postavljenih međusobno paralelno, pri čemu se
formiraju linearni kanali. Određene su vrednosti energije intermolekulskih interakcija za
različite dimerne motive dobijene iz kristalne strukture. Uzimajući u razmatranje
prethodno strukturno okarakterisane srodne spirohidantoine [1], dobijena je serija
jedinjenja koja je omogućila procenu uticaja supstituenata na njihovu molekulsku i
kristalnu strukturu.
AB  - A spirohydantoin derivative (Figure 1) was synthesized and its crystal structure was
determined by single crystal X-ray diffraction and analysed by DFT calculations. The
crystal packing is made of supramolecular nets of R6
4
(32) rings linked together to form
stacks that enclose linear channels. The intermolecular interaction energies are quantified
for various dimeric motifs. By including the previously reported structurally-related
spirohydantoins [1], we created a set of compounds that enabled us to evaluate substituent
effects 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
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6767
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 kristalna
struktura i urađena kvantno-hemijska analiza. Kristalno pakovanje grade mreže
supramolekulskih R6
4
(32) prstenova postavljenih međusobno paralelno, pri čemu se
formiraju linearni kanali. Određene su vrednosti energije intermolekulskih interakcija za
različite dimerne motive dobijene iz kristalne strukture. Uzimajući u razmatranje
prethodno strukturno okarakterisane srodne spirohidantoine [1], dobijena je serija
jedinjenja koja je omogućila procenu uticaja supstituenata na njihovu molekulsku i
kristalnu strukturu., A spirohydantoin derivative (Figure 1) was synthesized and its crystal structure was
determined by single crystal X-ray diffraction and analysed by DFT calculations. The
crystal packing is made of supramolecular nets of R6
4
(32) rings linked together to form
stacks that enclose linear channels. The intermolecular interaction energies are quantified
for various dimeric motifs. By including the previously reported structurally-related
spirohydantoins [1], we created a set of compounds that enabled us to evaluate substituent
effects 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",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6767"
}

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.
https://hdl.handle.net/21.15107/rcub_technorep_6767

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.
https://hdl.handle.net/21.15107/rcub_technorep_6767 .

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,
https://hdl.handle.net/21.15107/rcub_technorep_6767 .

TY  - CONF
AU  - Lazić, Anita
AU  - Trišović, Nemanja
AU  - Valentić, Nataša
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6770
AB  - Photochromic organic molecules that undergo reversible photochemical switching between two stable states continue to impact optical devices. They usually represent small organic molecules bearing conjugated aromatic frameworks capable for rapid cis→trans photoisomerization, photocyclization or combination of both. Their photochromic potential has not been completely studied due to numerous challenges in coupling the geometrical and electronic changes on the molecular level and further balancing macroscopic and bulk material characteristics. With the aim of development of novel light-sensitive materials, herein we explore the solvatochromic behaviour of two 4-substituted α-cyanostilbens by recording their absorption spectra in selected solvents and evaluating the effects of solvent dipolarity/polarizability and solute-solvent hydrogen bonding interactions on the shift of the absorption maxima by means of linear solvatation energy relationship concepts proposed by Kamlet, Taft and Cátalan.
AB  - Fotohromni organski molekuli koji se mogu reverzibilno prevoditi iz jednog stabilnog stanja u drugo pod dejstvom svetlosti uveliko se primenjuju u proizvodnji raznovrsnih materijala za primenu u proizvodnji različitih optičkih i elektronskih uređaja. To su najčešće mali organski molekuli koji u okviru svoje hemijske strukture sadrže konjugovane aromatične prstenove i koji podležu brzoj cis→trans fotoizomerizaciji, fotociklizaciji ili oba procesa. Njihov fotohemijski potencijal nije još uvek dovoljno istražen, budući da je teško balansirati efekte geometrijskih i elektronskih promena na molekulskom nivou kako bi se proizvela određena makroskopska svojstva materijala. U cilju dizajniranja novih fotosenzitivnih materijala, u ovom radu predstavljena je solvatrohromna analiza dva 4-supstituisana α-cijanostilbena i detaljno analiziran uticaj dipolarnosti/polarizabilnosti rastvarača kao i vodoničnog vezivanja na pomeranje apsorpcionog maksimuma primenom metoda linearne korelacije energije solvatacije koji su razvili Kamlet, Taft i Katalan.
PB  - Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku
C3  - Zbornik radova / 35. Međunarodni kongres o procesnoj industriji, PROCESING '22, 1-3. jun 2022, Beograd
T1  - A lser analysis of α-cyanostilbens as potential molecular photoswitches
T1  - Proučavanje α-cijanostilbena kao potencijalnih molekulskih prekidača metodom linearne korelacije energije solvatacije
EP  - 36
SP  - 29
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6770
ER  - 

@conference{
author = "Lazić, Anita and Trišović, Nemanja and Valentić, Nataša",
year = "2022",
abstract = "Photochromic organic molecules that undergo reversible photochemical switching between two stable states continue to impact optical devices. They usually represent small organic molecules bearing conjugated aromatic frameworks capable for rapid cis→trans photoisomerization, photocyclization or combination of both. Their photochromic potential has not been completely studied due to numerous challenges in coupling the geometrical and electronic changes on the molecular level and further balancing macroscopic and bulk material characteristics. With the aim of development of novel light-sensitive materials, herein we explore the solvatochromic behaviour of two 4-substituted α-cyanostilbens by recording their absorption spectra in selected solvents and evaluating the effects of solvent dipolarity/polarizability and solute-solvent hydrogen bonding interactions on the shift of the absorption maxima by means of linear solvatation energy relationship concepts proposed by Kamlet, Taft and Cátalan., Fotohromni organski molekuli koji se mogu reverzibilno prevoditi iz jednog stabilnog stanja u drugo pod dejstvom svetlosti uveliko se primenjuju u proizvodnji raznovrsnih materijala za primenu u proizvodnji različitih optičkih i elektronskih uređaja. To su najčešće mali organski molekuli koji u okviru svoje hemijske strukture sadrže konjugovane aromatične prstenove i koji podležu brzoj cis→trans fotoizomerizaciji, fotociklizaciji ili oba procesa. Njihov fotohemijski potencijal nije još uvek dovoljno istražen, budući da je teško balansirati efekte geometrijskih i elektronskih promena na molekulskom nivou kako bi se proizvela određena makroskopska svojstva materijala. U cilju dizajniranja novih fotosenzitivnih materijala, u ovom radu predstavljena je solvatrohromna analiza dva 4-supstituisana α-cijanostilbena i detaljno analiziran uticaj dipolarnosti/polarizabilnosti rastvarača kao i vodoničnog vezivanja na pomeranje apsorpcionog maksimuma primenom metoda linearne korelacije energije solvatacije koji su razvili Kamlet, Taft i Katalan.",
publisher = "Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku",
journal = "Zbornik radova / 35. Međunarodni kongres o procesnoj industriji, PROCESING '22, 1-3. jun 2022, Beograd",
title = "A lser analysis of α-cyanostilbens as potential molecular photoswitches, Proučavanje α-cijanostilbena kao potencijalnih molekulskih prekidača metodom linearne korelacije energije solvatacije",
pages = "36-29",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6770"
}

Lazić, A., Trišović, N.,& Valentić, N.. (2022). A lser analysis of α-cyanostilbens as potential molecular photoswitches. in Zbornik radova / 35. Međunarodni kongres o procesnoj industriji, PROCESING '22, 1-3. jun 2022, Beograd
Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku., 29-36.
https://hdl.handle.net/21.15107/rcub_technorep_6770

Lazić A, Trišović N, Valentić N. A lser analysis of α-cyanostilbens as potential molecular photoswitches. in Zbornik radova / 35. Međunarodni kongres o procesnoj industriji, PROCESING '22, 1-3. jun 2022, Beograd. 2022;:29-36.
https://hdl.handle.net/21.15107/rcub_technorep_6770 .

Lazić, Anita, Trišović, Nemanja, Valentić, Nataša, "A lser analysis of α-cyanostilbens as potential molecular photoswitches" in Zbornik radova / 35. Međunarodni kongres o procesnoj industriji, PROCESING '22, 1-3. jun 2022, Beograd (2022):29-36,
https://hdl.handle.net/21.15107/rcub_technorep_6770 .

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  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5169
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  - Royal Society of Chemistry
T2  - CrystEngComm
T1  - Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group
EP  - 4119
IS  - 22
SP  - 4106
VL  - 24
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 = "Royal Society of Chemistry",
journal = "CrystEngComm",
title = "Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group",
pages = "4119-4106",
number = "22",
volume = "24",
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
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  - 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  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6708
AB  - Sintetisan je derivat cikloheksan-5-spirohidantoina i određena je njegova kristalna
struktura. Hijerarhijski razvoj kristalnog pakovanja diskutovan je sa aspekta
kooperativnosti dimernih motiva koji nastaju preko različitih intermolekulskih
interakcija, i to: jakih N–H···O vodoničnih veza i slabih C–H···O, C–H···Cl i C–H···π
interakcija. Kristalno pakovanje zadržava motiv, koji se obično sreće kod derivata
hidantoina, u kome su dva inverzano orijentisana molekula povezana parom N–H···O
vodoničnih veza (slika 1). Specifična strukturna karakteristika jesu paralelni slojevi
duž ac-ravni (slika 2). Pošto ovaj motiv povezuje svaki drugi sloj, rastojanje između
slojeva se naizmenično menja. Naknadna analiza Hiršfeldove površine omogućila je
razradu kvalitativnih i kvantitativnih doprinosa intermolekulskih interakcija
proučavanom kristalnom pakovanju. Kristalografski podaci 3-(4-hlorbenzoil)-1,3-diazaspiro[4.5]dekan-2,4-diona:
C15H15ClN2O3, Mr = 306.7, trikliničan sistem, prostorna grupa P–1, a = 6,2836(13), b =
10,928(2), c = 12,159(2) Å,  = 108,19(3),  = 99,76(3),  = 104,73(3) °, V = 738,4(3) Å3
, Z = 2,
F(000) = 320, ρx = 1,380 g cm–3
, μ(Mo Kα) = 0,270 mm–1
. Utačnjavanje sa F
2
(190 parametara)
dalo je R1 = 0,0821, wR2 = 0,1157, S = 1,031 za sve podatke i R1 = 0,0548 za 2707 uočenih
refleksija sa I ≥ 2σ(I).
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 (Figure 1). A hallmark structural feature
was a parallel layer arrangement to the ac-plane (Figure 2) 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. Crystal data for 3-(4-chlorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione: C15H15ClN2O3, Mr =
306.7, triclinic system, space group P–1, a = 6.2836(13), b = 10.928(2), c = 12.159(2) Å,  =
108.19(3),  = 99.76(3),  = 104.73(3) °, V = 738.4(3) Å3
, Z = 2, F(000) = 320, ρx = 1.380 g cm–3
,
μ(Mo Kα) = 0.270 mm–1
. The refinement on F
2
(190 parameters) yielded R1 = 0.0821, wR2 =
0.1157, S = 1.031 for all data, and R1 = 0.0548 for 2707 observed reflections with I ≥ 2σ(I).
PB  - Beograd : Srpsko kristalografsko društvo
C3  - Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021
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
EP  - 25
SP  - 24
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6708
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 = "Sintetisan je derivat cikloheksan-5-spirohidantoina i određena je njegova kristalna
struktura. Hijerarhijski razvoj kristalnog pakovanja diskutovan je sa aspekta
kooperativnosti dimernih motiva koji nastaju preko različitih intermolekulskih
interakcija, i to: jakih N–H···O vodoničnih veza i slabih C–H···O, C–H···Cl i C–H···π
interakcija. Kristalno pakovanje zadržava motiv, koji se obično sreće kod derivata
hidantoina, u kome su dva inverzano orijentisana molekula povezana parom N–H···O
vodoničnih veza (slika 1). Specifična strukturna karakteristika jesu paralelni slojevi
duž ac-ravni (slika 2). Pošto ovaj motiv povezuje svaki drugi sloj, rastojanje između
slojeva se naizmenično menja. Naknadna analiza Hiršfeldove površine omogućila je
razradu kvalitativnih i kvantitativnih doprinosa intermolekulskih interakcija
proučavanom kristalnom pakovanju. Kristalografski podaci 3-(4-hlorbenzoil)-1,3-diazaspiro[4.5]dekan-2,4-diona:
C15H15ClN2O3, Mr = 306.7, trikliničan sistem, prostorna grupa P–1, a = 6,2836(13), b =
10,928(2), c = 12,159(2) Å,  = 108,19(3),  = 99,76(3),  = 104,73(3) °, V = 738,4(3) Å3
, Z = 2,
F(000) = 320, ρx = 1,380 g cm–3
, μ(Mo Kα) = 0,270 mm–1
. Utačnjavanje sa F
2
(190 parametara)
dalo je R1 = 0,0821, wR2 = 0,1157, S = 1,031 za sve podatke i R1 = 0,0548 za 2707 uočenih
refleksija sa I ≥ 2σ(I)., 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 (Figure 1). A hallmark structural feature
was a parallel layer arrangement to the ac-plane (Figure 2) 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. Crystal data for 3-(4-chlorobenzoyl)-1,3-diazaspiro[4.5]decane-2,4-dione: C15H15ClN2O3, Mr =
306.7, triclinic system, space group P–1, a = 6.2836(13), b = 10.928(2), c = 12.159(2) Å,  =
108.19(3),  = 99.76(3),  = 104.73(3) °, V = 738.4(3) Å3
, Z = 2, F(000) = 320, ρx = 1.380 g cm–3
,
μ(Mo Kα) = 0.270 mm–1
. The refinement on F
2
(190 parameters) yielded R1 = 0.0821, wR2 =
0.1157, S = 1.031 for all data, and R1 = 0.0548 for 2707 observed reflections with I ≥ 2σ(I).",
publisher = "Beograd : Srpsko kristalografsko društvo",
journal = "Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021",
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 = "25-24",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6708"
}

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 Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021
Beograd : Srpsko kristalografsko društvo., 24-25.
https://hdl.handle.net/21.15107/rcub_technorep_6708

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 Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021. 2021;:24-25.
https://hdl.handle.net/21.15107/rcub_technorep_6708 .

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 Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021 (2021):24-25,
https://hdl.handle.net/21.15107/rcub_technorep_6708 .

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  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6707
AB  - Kristalografska i kvantnohemijska studija, koja je usmerena na proučavanje efekata fluorovan-ja 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 [1]. Dodatno, ova studija je proširena na hlorovane i bromovane derivate. Analizom kristalnog pakovanja četiri derivata spiro-hidantoina (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 ener-gije 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 aro-matičnog prstena određene unutarmolekulskim interakcijama, a ne međumolekulskim interakcija-ma, 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 interac-tions 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 [1].
Subsequently, the present study has been extended to chlorinated and brominated derivatives. An analysis of the crystal packaging of four spirohydantoin derivatives (Figure) 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 aro-matic 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 (Figure), 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 differ-ences in the crystal packaging of these compounds.
PB  - Beograd : Srpsko kristalografsko društvo
C3  - Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021
T1  - UTICAJ HALOGENOVANJA AROMATIČNOG PRSTENA NA KONFORMACIJU SPIROHIDANTOINSKIH JEDINJENJA
T1  - INFLUENCE OF HALOGENATION OF AROMATIC RING ON THE CONFORMATION OF SPIROHYDANTOIN COMPOUNDS
EP  - 35
SP  - 34
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6707
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 fluorovan-ja 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 [1]. Dodatno, ova studija je proširena na hlorovane i bromovane derivate. Analizom kristalnog pakovanja četiri derivata spiro-hidantoina (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 ener-gije 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 aro-matičnog prstena određene unutarmolekulskim interakcijama, a ne međumolekulskim interakcija-ma, 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 interac-tions 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 [1].
Subsequently, the present study has been extended to chlorinated and brominated derivatives. An analysis of the crystal packaging of four spirohydantoin derivatives (Figure) 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 aro-matic 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 (Figure), 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 differ-ences in the crystal packaging of these compounds.",
publisher = "Beograd : Srpsko kristalografsko društvo",
journal = "Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021",
title = "UTICAJ HALOGENOVANJA AROMATIČNOG PRSTENA NA KONFORMACIJU SPIROHIDANTOINSKIH JEDINJENJA, INFLUENCE OF HALOGENATION OF AROMATIC RING ON THE CONFORMATION OF SPIROHYDANTOIN COMPOUNDS",
pages = "35-34",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6707"
}

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 Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021
Beograd : Srpsko kristalografsko društvo., 34-35.
https://hdl.handle.net/21.15107/rcub_technorep_6707

Janjić G, Đorđević I, Lazić A, Radovanović L, Petković-Benazzouz M, Rogan J, Trišović N. UTICAJ HALOGENOVANJA AROMATIČNOG PRSTENA NA KONFORMACIJU SPIROHIDANTOINSKIH JEDINJENJA. in Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021. 2021;:34-35.
https://hdl.handle.net/21.15107/rcub_technorep_6707 .

Janjić, Goran, Đorđević, Ivana, Lazić, Anita, Radovanović, Lidija, Petković-Benazzouz, Marija, Rogan, Jelena, Trišović, Nemanja, "UTICAJ HALOGENOVANJA AROMATIČNOG PRSTENA NA KONFORMACIJU SPIROHIDANTOINSKIH JEDINJENJA" in Izvodi radova / XXVII konferencija Srpskog kristalografskog društva, Kragujevac, 16–17. septembar 2021 (2021):34-35,
https://hdl.handle.net/21.15107/rcub_technorep_6707 .

TY  - CONF
AU  - Lazić, Anita M.
AU  - Đorđević, Ivana S.
AU  - Radovanović, Lidija D.
AU  - Popović, Dragan M.
AU  - Rogan, Jelena R.
AU  - Janjić, Goran V.
AU  - Trišović, Nemanja P.
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6768
AB  - Sintetisan je racemski derivat spirohidantoina, koji poseduje tetralinsku i 4-
metoksibenzil-grupu, a zatim je određena njegova kristalna struktura. Hijerarhijski razvoj
kristalnog pakovanja diskutovan je sa aspekta kooperativnosti homo- i heterohiralnih
dimernih motiva koji odražavaju različite intermolekulske interakcije. Specifična
strukturna karakteristika proučavanog jedinjenja jesu naizmenično postavljeni dvostruki
slojevi. Veliki broj kontaktnih fragmenata u okruženju tetralinske grupe predstavlja
posledicu veće kontaktne površine. Sa druge strane, 4-metoksibenzil-grupa obezbeđuje
veći doprinos ukupnoj stabilizaciji. Što se tiče farmakološkog potencijala proučavanog
jedinjenja, izvršena je simulacija vezivanja molekula za dopaminski receptor D3 i enzim
IRAK 4 (eng. Interleukin-1 Receptor-Associated Kinase 4). Ukupan broj aminokiselinskih
ostataka koji stupaju u interakciju sa 4-metoksibenzil-grupom je nešto veći od broja
aminokiselinskih ostataka u okruženju tetralinske grupe. Usled veće fleksibilnosti,
4-metoksibenzil-grupa se lakše adaptira za uspostavljanje interakcija sa biološkim
ciljevima.
AB  - Sintetisan je racemski derivat spirohidantoina, koji poseduje tetralinsku i 4-
metoksibenzil-grupu, a zatim je određena njegova kristalna struktura. Hijerarhijski razvoj
kristalnog pakovanja diskutovan je sa aspekta kooperativnosti homo- i heterohiralnih
dimernih motiva koji odražavaju različite intermolekulske interakcije. Specifična
strukturna karakteristika proučavanog jedinjenja jesu naizmenično postavljeni dvostruki
slojevi. Veliki broj kontaktnih fragmenata u okruženju tetralinske grupe predstavlja
posledicu veće kontaktne površine. Sa druge strane, 4-metoksibenzil-grupa obezbeđuje
veći doprinos ukupnoj stabilizaciji. Što se tiče farmakološkog potencijala proučavanog
jedinjenja, izvršena je simulacija vezivanja molekula za dopaminski receptor D3 i enzim
IRAK 4 (eng. Interleukin-1 Receptor-Associated Kinase 4). Ukupan broj aminokiselinskih
ostataka koji stupaju u interakciju sa 4-metoksibenzil-grupom je nešto veći od broja
aminokiselinskih ostataka u okruženju tetralinske grupe. Usled veće fleksibilnosti,
4-metoksibenzil-grupa se lakše adaptira za uspostavljanje interakcija sa biološkim
ciljevima.
PB  - Beograd : Srpsko hemijsko društvo
C3  - Kratki izvodi radova ; Knjiga radova / 57. savetovanje Srpskog hemijskog društva, Kragujevac 18. i 19. juni 2021
T1  - Uloga intermolekulskih interakcija u supramolekulskoj organizaciji i biološkom prepoznavanju derivata spirohidantoina
T1  - Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative
SP  - 93
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6768
ER  - 

@conference{
author = "Lazić, Anita M. and Đorđević, Ivana S. and Radovanović, Lidija D. and Popović, Dragan M. and Rogan, Jelena R. and Janjić, Goran V. and Trišović, Nemanja P.",
year = "2021",
abstract = "Sintetisan je racemski derivat spirohidantoina, koji poseduje tetralinsku i 4-
metoksibenzil-grupu, a zatim je određena njegova kristalna struktura. Hijerarhijski razvoj
kristalnog pakovanja diskutovan je sa aspekta kooperativnosti homo- i heterohiralnih
dimernih motiva koji odražavaju različite intermolekulske interakcije. Specifična
strukturna karakteristika proučavanog jedinjenja jesu naizmenično postavljeni dvostruki
slojevi. Veliki broj kontaktnih fragmenata u okruženju tetralinske grupe predstavlja
posledicu veće kontaktne površine. Sa druge strane, 4-metoksibenzil-grupa obezbeđuje
veći doprinos ukupnoj stabilizaciji. Što se tiče farmakološkog potencijala proučavanog
jedinjenja, izvršena je simulacija vezivanja molekula za dopaminski receptor D3 i enzim
IRAK 4 (eng. Interleukin-1 Receptor-Associated Kinase 4). Ukupan broj aminokiselinskih
ostataka koji stupaju u interakciju sa 4-metoksibenzil-grupom je nešto veći od broja
aminokiselinskih ostataka u okruženju tetralinske grupe. Usled veće fleksibilnosti,
4-metoksibenzil-grupa se lakše adaptira za uspostavljanje interakcija sa biološkim
ciljevima., Sintetisan je racemski derivat spirohidantoina, koji poseduje tetralinsku i 4-
metoksibenzil-grupu, a zatim je određena njegova kristalna struktura. Hijerarhijski razvoj
kristalnog pakovanja diskutovan je sa aspekta kooperativnosti homo- i heterohiralnih
dimernih motiva koji odražavaju različite intermolekulske interakcije. Specifična
strukturna karakteristika proučavanog jedinjenja jesu naizmenično postavljeni dvostruki
slojevi. Veliki broj kontaktnih fragmenata u okruženju tetralinske grupe predstavlja
posledicu veće kontaktne površine. Sa druge strane, 4-metoksibenzil-grupa obezbeđuje
veći doprinos ukupnoj stabilizaciji. Što se tiče farmakološkog potencijala proučavanog
jedinjenja, izvršena je simulacija vezivanja molekula za dopaminski receptor D3 i enzim
IRAK 4 (eng. Interleukin-1 Receptor-Associated Kinase 4). Ukupan broj aminokiselinskih
ostataka koji stupaju u interakciju sa 4-metoksibenzil-grupom je nešto veći od broja
aminokiselinskih ostataka u okruženju tetralinske grupe. Usled veće fleksibilnosti,
4-metoksibenzil-grupa se lakše adaptira za uspostavljanje interakcija sa biološkim
ciljevima.",
publisher = "Beograd : Srpsko hemijsko društvo",
journal = "Kratki izvodi radova ; Knjiga radova / 57. savetovanje Srpskog hemijskog društva, Kragujevac 18. i 19. juni 2021",
title = "Uloga intermolekulskih interakcija u supramolekulskoj organizaciji i biološkom prepoznavanju derivata spirohidantoina, Role of intermolecular interactions in the self-assembly and biorecognition of a spirohydantoin derivative",
pages = "93",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6768"
}

Lazić, A. M., Đorđević, I. S., Radovanović, L. D., Popović, D. M., Rogan, J. R., Janjić, G. V.,& Trišović, N. P.. (2021). Uloga intermolekulskih interakcija u supramolekulskoj organizaciji i biološkom prepoznavanju derivata spirohidantoina. in Kratki izvodi radova ; Knjiga radova / 57. savetovanje Srpskog hemijskog društva, Kragujevac 18. i 19. juni 2021
Beograd : Srpsko hemijsko društvo., 93.
https://hdl.handle.net/21.15107/rcub_technorep_6768

Lazić AM, Đorđević IS, Radovanović LD, Popović DM, Rogan JR, Janjić GV, Trišović NP. Uloga intermolekulskih interakcija u supramolekulskoj organizaciji i biološkom prepoznavanju derivata spirohidantoina. in Kratki izvodi radova ; Knjiga radova / 57. savetovanje Srpskog hemijskog društva, Kragujevac 18. i 19. juni 2021. 2021;:93.
https://hdl.handle.net/21.15107/rcub_technorep_6768 .

Lazić, Anita M., Đorđević, Ivana S., Radovanović, Lidija D., Popović, Dragan M., Rogan, Jelena R., Janjić, Goran V., Trišović, Nemanja P., "Uloga intermolekulskih interakcija u supramolekulskoj organizaciji i biološkom prepoznavanju derivata spirohidantoina" in Kratki izvodi radova ; Knjiga radova / 57. savetovanje Srpskog hemijskog društva, Kragujevac 18. i 19. juni 2021 (2021):93,
https://hdl.handle.net/21.15107/rcub_technorep_6768 .

TY  - JOUR
AU  - Lazić, Anita
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6788
AB  - This review summarizes current status in research of pharmacological properties of remarkably important organic heterocyclic compound, phenothiazine. The main goal of this review is to illuminate the significance of phenothiazine core as one of the potent pharmacophoric moieties for the future synthesis of new compounds possessing plentiful activities.
PB  - Srpsko hemijsko društvo
T2  - Hemijski pregled
T1  - Derivati fenotiazina: više od sastojka litičkog koktela
T1  - Phenothiazine derivatives: more than an ingredient of lithic cocktail
EP  - 139
IS  - 6
SP  - 131
VL  - 62
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6788
ER  - 

@article{
author = "Lazić, Anita",
year = "2021",
abstract = "This review summarizes current status in research of pharmacological properties of remarkably important organic heterocyclic compound, phenothiazine. The main goal of this review is to illuminate the significance of phenothiazine core as one of the potent pharmacophoric moieties for the future synthesis of new compounds possessing plentiful activities.",
publisher = "Srpsko hemijsko društvo",
journal = "Hemijski pregled",
title = "Derivati fenotiazina: više od sastojka litičkog koktela, Phenothiazine derivatives: more than an ingredient of lithic cocktail",
pages = "139-131",
number = "6",
volume = "62",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6788"
}

Lazić, A.. (2021). Derivati fenotiazina: više od sastojka litičkog koktela. in Hemijski pregled
Srpsko hemijsko društvo., 62(6), 131-139.
https://hdl.handle.net/21.15107/rcub_technorep_6788

Lazić A. Derivati fenotiazina: više od sastojka litičkog koktela. in Hemijski pregled. 2021;62(6):131-139.
https://hdl.handle.net/21.15107/rcub_technorep_6788 .

Lazić, Anita, "Derivati fenotiazina: više od sastojka litičkog koktela" in Hemijski pregled, 62, no. 6 (2021):131-139,
https://hdl.handle.net/21.15107/rcub_technorep_6788 .