TY  - JOUR
AU  - Nikolić, Biljana
AU  - Tešević, Vele
AU  - Đorđević, Iris
AU  - Jadranin, Milka
AU  - Todosijević, Marina
AU  - Bojović, Srđan R.
AU  - Marin, Petar D.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1132
AB  - This is the first report of n-alkanes in needle epicuticular waxes of the variety Bosnian pine, Pinus heldreichii var. pancici. n-Hexane extracts of needle samples, originating from seven isolated localities in Serbia, were analysed by gas chromatography (GC) and gas chromatography mass spectrometry (GC MS). The results evidenced n-alkanes ranging from C(18) to C(33) in epicuticular waxes. The most abundant alkanes were C(27), C(23), C(25) and C(29) (12.53 %, 12.46 %, 12.00 % and 10.38 % on average, respectively). The carbon preference index (CPI(total)) of Pinus heldreichii var. pancici ranged from 1.1 to 2.1 (1.6 on average), while the average chain length (ACL(total)) ranged from 25.0 to 25.8 (25.3 on average). A high level of individual quantitative variation An all of these hydrocarbon parameters was also found. The obtained results were compared with the bibliographic references for Pinus heldreichii var. leucodermis and other species of the Pinus genus.
AB  - Ovo je prvo saopštenje o n-alkanima u voskovima iglica varijeteta munike, Pinus heldreichii var. pančići. n-Heksanski ekstrakti uzoraka iglica koji potiču sa sedam izolovanih lokaliteta u Srbiji analizirani su gasnom hromatografijom (GC) i gasnom hromatografijom-masenom spektrometrijom (GC-MS). Rezultati su pokazali da se n-alkani nalaze u opsegu od C18 do C33. Među njima su najobilniji C27, C23, C25 i C29 (12,53, 12,46, 12,00 i 10,38 % u proseku, redom). Ugljenični preferencijalni indeks (CPItotal) Pinus heldreichii var. pančići je bio u opsegu od 1,1 do 2,1 (prosečno 1,6), a dužina niza ugljenikovih atoma (ACLtotal) u opsegu od 25,0 do 25,8 (prosečno 25,3). Takođe je utvrđen visok nivo individualne kvantitativne varijabilnosti u svim analiziranim parametrima ovih ugljovodonika. Dobijeni rezultati su upoređeni sa literaturnim podacima koji se odnose na Pinus heldreichii var. leucodermis i druge vrste roda Pinus.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - n-Alkanes in the needle waxes of Pinus heldreichii var. pancici
T1  - n-alkani u voskovima iglica Pinus heldreichii var. pančići
VL  - 75
IS  - 10
SP  - 1337
EP  - 1346
DO  - 10.2298/JSC100322089N
ER  - 

@article{
author = "Nikolić, Biljana and Tešević, Vele and Đorđević, Iris and Jadranin, Milka and Todosijević, Marina and Bojović, Srđan R. and Marin, Petar D.",
year = "2010",
abstract = "This is the first report of n-alkanes in needle epicuticular waxes of the variety Bosnian pine, Pinus heldreichii var. pancici. n-Hexane extracts of needle samples, originating from seven isolated localities in Serbia, were analysed by gas chromatography (GC) and gas chromatography mass spectrometry (GC MS). The results evidenced n-alkanes ranging from C(18) to C(33) in epicuticular waxes. The most abundant alkanes were C(27), C(23), C(25) and C(29) (12.53 %, 12.46 %, 12.00 % and 10.38 % on average, respectively). The carbon preference index (CPI(total)) of Pinus heldreichii var. pancici ranged from 1.1 to 2.1 (1.6 on average), while the average chain length (ACL(total)) ranged from 25.0 to 25.8 (25.3 on average). A high level of individual quantitative variation An all of these hydrocarbon parameters was also found. The obtained results were compared with the bibliographic references for Pinus heldreichii var. leucodermis and other species of the Pinus genus., Ovo je prvo saopštenje o n-alkanima u voskovima iglica varijeteta munike, Pinus heldreichii var. pančići. n-Heksanski ekstrakti uzoraka iglica koji potiču sa sedam izolovanih lokaliteta u Srbiji analizirani su gasnom hromatografijom (GC) i gasnom hromatografijom-masenom spektrometrijom (GC-MS). Rezultati su pokazali da se n-alkani nalaze u opsegu od C18 do C33. Među njima su najobilniji C27, C23, C25 i C29 (12,53, 12,46, 12,00 i 10,38 % u proseku, redom). Ugljenični preferencijalni indeks (CPItotal) Pinus heldreichii var. pančići je bio u opsegu od 1,1 do 2,1 (prosečno 1,6), a dužina niza ugljenikovih atoma (ACLtotal) u opsegu od 25,0 do 25,8 (prosečno 25,3). Takođe je utvrđen visok nivo individualne kvantitativne varijabilnosti u svim analiziranim parametrima ovih ugljovodonika. Dobijeni rezultati su upoređeni sa literaturnim podacima koji se odnose na Pinus heldreichii var. leucodermis i druge vrste roda Pinus.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "n-Alkanes in the needle waxes of Pinus heldreichii var. pancici, n-alkani u voskovima iglica Pinus heldreichii var. pančići",
volume = "75",
number = "10",
pages = "1337-1346",
doi = "10.2298/JSC100322089N"
}

Nikolić, B., Tešević, V., Đorđević, I., Jadranin, M., Todosijević, M., Bojović, S. R.,& Marin, P. D.. (2010). n-Alkanes in the needle waxes of Pinus heldreichii var. pancici. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 75(10), 1337-1346.
https://doi.org/10.2298/JSC100322089N

Nikolić B, Tešević V, Đorđević I, Jadranin M, Todosijević M, Bojović SR, Marin PD. n-Alkanes in the needle waxes of Pinus heldreichii var. pancici. in Journal of the Serbian Chemical Society. 2010;75(10):1337-1346.
doi:10.2298/JSC100322089N .

Nikolić, Biljana, Tešević, Vele, Đorđević, Iris, Jadranin, Milka, Todosijević, Marina, Bojović, Srđan R., Marin, Petar D., "n-Alkanes in the needle waxes of Pinus heldreichii var. pancici" in Journal of the Serbian Chemical Society, 75, no. 10 (2010):1337-1346,
https://doi.org/10.2298/JSC100322089N . .

TY  - JOUR
AU  - Anđelković, Ljubica
AU  - Grubišić, Sonja
AU  - Đorđević, Ivana S.
AU  - Zlatar, Matija
AU  - Niketić, Svetozar R.
AU  - Gruden-Pavlović, Maja
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1145
AB  - Molecular mechanics (MM) calculations to analyze the puckering of metalloporphyrins isolated and adsorbed on a graphite layer (0001) as a function of metal ion size and the peripheral substitution are presented. The Consistent Force Field (CFF) program was used with new parameters for metalloporphyrins, which included an out-of-plane bending function. Normal-coordinate structural decomposition (NSD) analysis was performed on the equilibrium structures obtained by the MM calculations. The conformers were also stereo-chemically characterized and compared with available experimental data and with conformers obtained in a previous MM study.
AB  - Konzistentno polje sila (CFF) za molekulsko modeliranje metaloporfirina, koje uključuje novouvedenu out-of-plane funkciju, parametrizovano je na osnovu kristalnih struktura Ni(II)-porfirina, nikal(II)-mono-tercbutilporfirina, nikal(II)-di-tercbutilporfirina, nikal(II)-tetrafenilporfirina i nikal(II)-oktaetil-tetrafenilporfirina. Ono je upotrebljeno za proučavanje uticaja veličine centralnog metalnog jona, periferne supstitucije kao i uticaja prisutnog supstrata na konformacije porfirinskog jezgra kod okta- i tetrahalogeno-tetrafenilporfirina sa Ni(II) i Tb(III). Jedinstvene ravnotežne strukture, dobijene na osnovu molekulsko-mehaničkih proračuna velikog broja početnih struktura, pokazuju dobro slaganje sa kristalnim strukturama, kao i sa prethodno publikovanim rezultatima, ne samo u metričkim podacima, već i u načinu nabiranja porfirinskog jezgra. Metod normalne-koordinatne strukturne dekompozicije (NSD) omogućava da se na jednoznačan način opiše svaka optimizovana konformacija dobijena molekulsko-mehaničkim proračunima.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Consistent force field for metalloporphyrins
T1  - Konzistentno polje sila za metaloporfirine
VL  - 75
IS  - 12
SP  - 1671
EP  - 1683
DO  - 10.2298/JSC100701095A
ER  - 

@article{
author = "Anđelković, Ljubica and Grubišić, Sonja and Đorđević, Ivana S. and Zlatar, Matija and Niketić, Svetozar R. and Gruden-Pavlović, Maja",
year = "2010",
abstract = "Molecular mechanics (MM) calculations to analyze the puckering of metalloporphyrins isolated and adsorbed on a graphite layer (0001) as a function of metal ion size and the peripheral substitution are presented. The Consistent Force Field (CFF) program was used with new parameters for metalloporphyrins, which included an out-of-plane bending function. Normal-coordinate structural decomposition (NSD) analysis was performed on the equilibrium structures obtained by the MM calculations. The conformers were also stereo-chemically characterized and compared with available experimental data and with conformers obtained in a previous MM study., Konzistentno polje sila (CFF) za molekulsko modeliranje metaloporfirina, koje uključuje novouvedenu out-of-plane funkciju, parametrizovano je na osnovu kristalnih struktura Ni(II)-porfirina, nikal(II)-mono-tercbutilporfirina, nikal(II)-di-tercbutilporfirina, nikal(II)-tetrafenilporfirina i nikal(II)-oktaetil-tetrafenilporfirina. Ono je upotrebljeno za proučavanje uticaja veličine centralnog metalnog jona, periferne supstitucije kao i uticaja prisutnog supstrata na konformacije porfirinskog jezgra kod okta- i tetrahalogeno-tetrafenilporfirina sa Ni(II) i Tb(III). Jedinstvene ravnotežne strukture, dobijene na osnovu molekulsko-mehaničkih proračuna velikog broja početnih struktura, pokazuju dobro slaganje sa kristalnim strukturama, kao i sa prethodno publikovanim rezultatima, ne samo u metričkim podacima, već i u načinu nabiranja porfirinskog jezgra. Metod normalne-koordinatne strukturne dekompozicije (NSD) omogućava da se na jednoznačan način opiše svaka optimizovana konformacija dobijena molekulsko-mehaničkim proračunima.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Consistent force field for metalloporphyrins, Konzistentno polje sila za metaloporfirine",
volume = "75",
number = "12",
pages = "1671-1683",
doi = "10.2298/JSC100701095A"
}

Anđelković, L., Grubišić, S., Đorđević, I. S., Zlatar, M., Niketić, S. R.,& Gruden-Pavlović, M.. (2010). Consistent force field for metalloporphyrins. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 75(12), 1671-1683.
https://doi.org/10.2298/JSC100701095A

Anđelković L, Grubišić S, Đorđević IS, Zlatar M, Niketić SR, Gruden-Pavlović M. Consistent force field for metalloporphyrins. in Journal of the Serbian Chemical Society. 2010;75(12):1671-1683.
doi:10.2298/JSC100701095A .

Anđelković, Ljubica, Grubišić, Sonja, Đorđević, Ivana S., Zlatar, Matija, Niketić, Svetozar R., Gruden-Pavlović, Maja, "Consistent force field for metalloporphyrins" in Journal of the Serbian Chemical Society, 75, no. 12 (2010):1671-1683,
https://doi.org/10.2298/JSC100701095A . .

TY  - JOUR
AU  - Micovic, Vuk I.
AU  - Ivanović, Milovan
AU  - Došen-Mićović, Ljiljana
PY  - 2009
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1034
AB  - The delta-opioid receptor is sensitive to ligand geometry. In order to assist the synthesis of new delta-selective opioid ligands, the structure elements of delta-selective opioid ligands necessary for their effective binding were investigated. The automated docking procedure with a flexible ligand was used to simulate the binding of 17 delta-selective ligands to the delta-receptor. It was found that voluminous N-alkyl groups reduce the binding potency of naltrindole derivatives by preventing the ligands from adopting the preferred conformation in the receptor. This was confirmed by enantiospecific binding of chiral compounds where only one enantiomer adopts the naltrindole-like preferred conformation in the binding pocket. Voluminous groups replacing the hydroxyl group in the 3-hydroxybenzyl fragment of naltrindole analogs reduce the binding potency due to unfavorable steric interactions with the receptor. The two diastereoisomers of the potent delta-opioid ligand SNC80 confirmed the preferred binding conformation and the major receptor-ligand interactions.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Structural requirements for ligands of the delta-opioid receptor
VL  - 74
IS  - 11
SP  - 1207
EP  - 1217
DO  - 10.2298/JSC0911207M
ER  - 

@article{
author = "Micovic, Vuk I. and Ivanović, Milovan and Došen-Mićović, Ljiljana",
year = "2009",
abstract = "The delta-opioid receptor is sensitive to ligand geometry. In order to assist the synthesis of new delta-selective opioid ligands, the structure elements of delta-selective opioid ligands necessary for their effective binding were investigated. The automated docking procedure with a flexible ligand was used to simulate the binding of 17 delta-selective ligands to the delta-receptor. It was found that voluminous N-alkyl groups reduce the binding potency of naltrindole derivatives by preventing the ligands from adopting the preferred conformation in the receptor. This was confirmed by enantiospecific binding of chiral compounds where only one enantiomer adopts the naltrindole-like preferred conformation in the binding pocket. Voluminous groups replacing the hydroxyl group in the 3-hydroxybenzyl fragment of naltrindole analogs reduce the binding potency due to unfavorable steric interactions with the receptor. The two diastereoisomers of the potent delta-opioid ligand SNC80 confirmed the preferred binding conformation and the major receptor-ligand interactions.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Structural requirements for ligands of the delta-opioid receptor",
volume = "74",
number = "11",
pages = "1207-1217",
doi = "10.2298/JSC0911207M"
}

Micovic, V. I., Ivanović, M.,& Došen-Mićović, L.. (2009). Structural requirements for ligands of the delta-opioid receptor. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 74(11), 1207-1217.
https://doi.org/10.2298/JSC0911207M

Micovic VI, Ivanović M, Došen-Mićović L. Structural requirements for ligands of the delta-opioid receptor. in Journal of the Serbian Chemical Society. 2009;74(11):1207-1217.
doi:10.2298/JSC0911207M .

Micovic, Vuk I., Ivanović, Milovan, Došen-Mićović, Ljiljana, "Structural requirements for ligands of the delta-opioid receptor" in Journal of the Serbian Chemical Society, 74, no. 11 (2009):1207-1217,
https://doi.org/10.2298/JSC0911207M . .