Vol 77, No 3 - Abstracts

JSCS Vol 77, No. 3

Whole issue - PDF 5,926 KB

J. Serb. Chem. Soc. 77 (3) 259–277 (2012)

UDC 547.565.2–304.2+577.354:547.53.024+547.861.3:539.196; JSCS–4266; doi: 10.2298/JSC111028212S; Original scientific paper

Modeling key interactions between the second extracellular loop of the dopAMine D2 receptor and arylpiperazine ligands

VLADIMIR ŠUKALOVIĆ, VUKIĆ ŠOŠKIĆ*, DEANA ANDRIĆ**, GORAN ROGLIĆ** and SLADJANA KOSTIĆ-RAJAČIĆ

ICTM – Department of Chemistry, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia

*ProteoSys AG, Carl Zeiss 51, 55129 Mainz, Germany

**Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, 11000 Belgrade, Serbia

(Received 28 October 2011)

Second extracellular loop (ecl2) of the dopAMine (DA) D2 receptor is an essential part of the binding pocket of dopAMinergic ligands. To form a part of the ligand-binding surface, it has to fold down into the transmembrane domain of the DA receptor. The current study describes the modeling of the D2 DA receptor ecl2 and its interactions with arylpiperazine ligands. In order to model the D2 DA receptor ecl2, several arylpiperazine ligands were used to propose a pharmacophore model. D2 DA receptor ecl2 model was built using Accelrys Discovery Studio. To test the proposed model, docking analysis was performed and key AMino acid residues were determined. The proposed receptor–ligand interactions were rationalized and compared with measured binding affinities. It is shown that D2 DA receptor ecl2 significantly participates in the formation of the receptor–ligand complex through aromatic, hydrophobic and polar interaction. Considering them would benefit molecular modeling of G-protein-coupled receptors (GPCRs) and facilitate the design of novel active compounds.

Keywords: extracellular loop; dopAMine; arylpiperazine; molecular modeling; GPRC.

Full Article - PDF 1,594 KB Available OnLine: 16. 12. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 279–286 (2012)

UDC 547.831+547.78:542.913:615.281/282–188; JSCS–4267; doi: 10.2298/JSC110630197S; Original scientific paper

The design, synthesis and antimicrobial activity of new biquinoline derivatives

Nirav K. Shah, Nimesh M. Shah, Manish P. Patel and Ranjan G. Patel

Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar-388120, Gujarat, India

(Received 30 June, revised 19 October 2011)

A simple and efficient method has been developed for the synthesis of some novel biquinoline derivatives bearing a thiazole moiety through a one-pot three-component condensation of 2-chloro-3-formylquinolines, ethyl cyanoacetate and a β-enAMinone using a catalytic AMount of piperidine in refluxing ethanol. These molecules were evaluated in vitro for their antibacterial and antifungal activity. Most of the compounds exhibited moderate antibacterial and antifungal activity against all the tested strains.

Keywords: quinoline; thiazole; antibacterial; antifungal.

Full Article - PDF 855 KB Supplementary Material PDF 761 KB Available OnLine: 24. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 287–296 (2012)

UDC 547.43+547.56+546–328+66.095.253–927.7; JSCS–4268; doi: 10.2298/JSC110507176G; Short communication

SHORT COMMUNICATION

Catalytic tetrahydropyranylation of phenols and alcohols using vanadium(V)-substituted polyoxomolybdates

ALI GHARIB*,** and MANOUCHEHR JAHANGIR*

*Department of Chemistry, IslAMic Azad University, Mashhad, Iran

**Agricultural Research and Services Centre, Mashhad, Iran

(Received 7 May, revised 9 July 2011)

Alcohols and phenols were tetrahydropyranylated in the presence of H7[PMo8V4O40] in good to excellent yields in acetonitrile and under solvent-free reaction conditions. A mild and convenient method for the formation and deprotection of ethers (THP ethers) is described. The formation of THP ethers from the corresponding alcohols was accomplished in the presence of acid-sensitive functional groups.

Keywords: tetrahydropyranyl ethers; heteropolyacid; protecting group; tetrahydropyranylation.

Full Article - PDF 779 KB Available OnLine: 18. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 297–312 (2012)

UDC 547.918+547.972.3+542.92:544.032.6–31+543.544.5.068.7:544.351:544.43; JSCS–4269; doi: 10.2298/JSC110618180Z; Original scientific paper

Irreversible UV-induced quercetin and rutin degradation in solution studied by UV spectrophotometry and HPLC chromatography

JELENA B. ZVEZDANOVIĆ, JELENA S. STANOJEVIĆ, DEJAN Z. MARKOVIĆ and DRAGAN J. CVETKOVIĆ

University of Niš, Faculty of Technology, Bulevar oslobodjenja 124, 16000 Leskovac, Serbia

(Received 18 June, revised 8 August 2011)

The irreversible degradation of quercetin and rutin, dissolved in methanol and water, induced by continuous UV-irradiation from two different sub-ranges (UV-B and UV-C) were studied in this work. The degradation of both flavonoids is related to the formation of UV-induced degradation products: both processes follow first-order kinetics. The degradation and rate constants of the formation of the products are both dependent on the involved UV-photons energy input in both solvents.

Keywords: quercetin; rutin; UV-irradiation; degradation; products; kinetics.

Full Article - PDF 1,093 KB Available OnLine: 21. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 313–323 (2012)

UDC 635.7+634.31:665.52/.54:579.8:615.281–188(540); JSCS–4270; doi: 10.2298/JSC110524192P; Original scientific paper

In vitro antibacterial activities of the essential oils of aromatic plants against Erwinia herbicola (Lohnis) and Pseudomonas putida (Kris HAMilton)

ABHAY K. PANDEY, POOJA SINGH, UMA T. PALNI* and N. N. TRIPATHI

Bacteriology and Natural Pesticide Lab, Department of Botany, DDU Gorakhpur University, Gorakhpur 273009, India

*Department of Botany, DSB CAMpus, Kumaun University, Nainital 263002, India

(Received 24 May, revised 4 October 2011)

This study was designed to exAMine the in vitro antibacterial activities of the essential oils extracted from 53 aromatic plants of the Gorakhpur Division (UP, INDIA) for the control of two phytopathogenic bacteria, nAMely Erwinia herbicola and Pseudomonas putida, which cause several post-harvest diseases in fruits and vegetables. Out of the 53 oils screened, 8 oils, i.e., Chenopodium AMbrosioides, Citrus aurantium, Clausena pentaphylla, Hyptis suaveolens, Lippia alba, Mentha arvensis, Ocimum sanctum and Vitex negundo, completely inhibited the growth of the test bacteria. Furthermore, the minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC) values of C. AMbrosioides oil were lower for E. herbicola (0.25 and 2.0 µl ml-1) and P. putida (0.12 and 1.0 µl ml-1), respectively, than those of the other 7 oils, as well as than those of agromycin and streptomycin, the drugs used in the current study. Gas chromatography (GC) and GC–mass spectroscopy (GC–MS) analysis of the Chenopodium oil revealed the presence of 125 major and minor compounds, of which 14 compounds were recognized. The findings led to the conclusion that Chenopodium oil may be regarded as a safe antibacterial agent for the management of post-harvest diseases of fruits and vegetables.

Keywords: phytopathogenic bacteria; Chenopodium AMbrosioides oil; GC/GC–MS.

Full Article - PDF 800 KB Available OnLine: 23. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 325–333 (2012)

UDC 546.742+546.982:546.24:547.415.1:547.313.2–304.2; JSCS–4271; doi: 10.2298/JSC101211200R; Original scientific paper

Studies on nickel(II) and palladium(II) complexes with some tetraazAMacrocycles containing tellurium

NITU RATHEE and KRISHAN KUMAR VERMA

Department of Chemistry, Maharshi Dayanand University, Rohtak – 124001, Haryana, India

(Received 11 December 2010, revised 13 July 2011)

The synthesis of 10-membered and 12-membered tellurium-containing tetraazAMacrocyclic complexes of divalent nickel and palladium by template condensation of diaryltellurium dichlorides, (aryl = p-hydroxyphenyl, 4-hydroxy-3-methyl-phenyl, p-methoxyphenyl) with 1,2-diAMinoethane and 1,3-diAMinopropane in the presence of metal dichloride is reported. The resulting complexes were subjected to elemental analyses, magnetic measurements, and electronic absorption, infrared, and proton magnetic resonance spectral studies. The formation of the proposed macrocyclic skeletons and their donor sites were identified based on the spectral studies. A distorted octahedral structure for the nickel complexes and a square-planar structure for the palladium complexes in the solid state are suggested.

Keywords: tetraazAMacrocycles; diaryltellurium dichlorides; template condensation; ethylenediAMine; 1,3-diAMinopropane.

Full Article - PDF 759 KB Available OnLine: 01. 12. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 335–348 (2012)

UDC 547.979.733–034+543.428.3/.4:535.375+535.372; JSCS–4272; doi: 10.2298/JSC110516190L; Original scientific paper

Synthesis and properties of 5,10,15,20-tetrakis[4-(3,5-dioctyloxybenzAMido)phenyl]porphyrin and its metal complexes

WENHUI LIAN, YUANYUAN SUN, BINBIN WANG, NING SHAN and TONGSHUN SHI

College of Chemistry, Jilin University, Changchun 130023, P. R. China

(Received 16 May, revised 3 October 2011)

A novel 5,10,15,20-tetrakis[4-(3,5-dioctyloxybenzAMido)phenyl]porphyrin and its transition metal complexes are reported in this paper. Their molecular structures were characterized by elemental analysis as well as IR, 1H-NMR and UV–Vis spectroscopy. Their spectroscopic properties were studied by RAMan and fluorescence spectroscopy, and X-ray photoelectron spectroscopy (XPS). The fluorescence quantum yields were measured at room temperature. The fluorescence intensity of the porphyrin ligand was stronger than the intensity of the complexes. There were large differences in the RAMan spectrum of the porphyrin ligand and those of the metal complexes due to changes in the symmetry of porphyrin plane. In the XPS spectra, the replacement of the free-base protons by a metal ion to form the metalloporphyrin not only increases the symmetry of the molecule, but also introduces an electron withdrawing group into the center of the porphyrin ligand, which increases the N1s binding energy.

Keywords: porphyrin; transition metal complex; XPS spectra; RAMan spectra; fluorescence spectra.

Full Article - PDF 1,075 KB Available OnLine: 22. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 349–361 (2012)

UDC 54.123.2+541.12.032+546.732+546.881.4+546.723:543.23+543.4; JSCS–4273; doi: 10.2298/JSC110206164N; Original scientific paper

Variation of ratio kinetic profiles as a simple and novel spectrophotometric method for the simultaneous kinetic analysis of binary mixtures

ABDOLHOSSEIN NASERI and SHOKOOFEH MALAKZADEH-ROUSTA*

Department of Analytical Chemistry, Faculty of Chemistry, University of Tabriz,51666-16471, Tabriz

*Department of Chemistry, Faculty of Science, IslAMic Azad University, Tabriz Branch, Tabriz, Iran

(Received 6 February, revised 1 June 2011)

In this paper, a new and very simple kinetic – spectrophotometric method is developed for the simultaneous determination of binary mixtures without prior separation steps. The method is based on the calculation of the variation of ratio kinetic profiles. The mathematical explanation of the procedure is also illustrated. The proposed method can be used for the simultaneous determination of two analytes A and B that react with the sAMe reagent to give the sAMe absorbing species. In order to evaluate the applicability of the method, theoretical and experimental data were tested. The results from experimental data relating to the simultaneous spectrophotometric determination of Co(II) and V(IV) based on their oxidation reactions with Fe (III) in the presence 1,10-phenanthroline (Phen) in micellar media are presented as a real model for the resolution of the binary systems. The applicability of the method to tap water and synthesized alloy sAMples was also assessed by spiking experiments with different AMounts of Co(II) and V(IV).

Keywords: kinetic analysis; binary mixture; variation of ratio kinetic profiles; spectrophotometry.

Full Article - PDF 884 KB Available OnLine: 17. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 363–370 (2012)

UDC 547.263/.265+547.21:539.196:544.032.4; JSCS–4274; doi: 10.2298/JSC110616194A Original scientific paper

Excess molar volumes of 1,3-propanediol + (C1–C5) alkan-1-ols: application of a cubic equation of state

MOHAMMAD ALMASI and LADAN KHOSRAVI

Department of Chemistry, Science and Research Branch, IslAMic Azad University, Khouzestan, Iran

(Received 16 June, revised 15 August 2011)

The densities of binary mixtures consisting of methanol, ethanol, 1-propanol, 1-butanol and 1-pentanol with 1,3-propanediol were measured at the temperatures 293.15, 298.15, 303.15 and 313.15 K and at atmospheric pressure. Measurements were made over the full range of compositions and for the pure compounds using a vibrating tube densimeter. Excess molar volumes were obtained from these experimental results and were fitted to a Redlich–Kister type expansion. The results were interpreted in terms of molecular interactions and structural factors of the alcohols. It was observed that an increase in the carbon chain length of the alcohol led to lower interactions on mixing. The Peng–Robinson–Stryjek–Vera (PRSV) Equation of state was used to correlate the binary excess molar volumes.

Keywords: excess molar volumes; 1-alkanols; 1,3 propanediol; cubic EOS.

Full Article - PDF 761 KB Supplementary Material PDF 682 KB Available OnLine: 24. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 371–380 (2012)

UDC 662.21:662.215.2:519.87; JSCS–4275; doi: 10.2298/JSC101206163J; Original scientific paper

Development of a new model for the calculation of the detonation parAMeters of high explosives

Radun Jeremić and Jovica Bogdanov

Military Academy Belgrade, Generala Pavla Jurišića Šturma 33, 11000 Belgrade, Serbia

(Received 6 December 2010)

A simple semi-empirical model for the calculation of the detonation pressure and velocity for CHNO explosives has been developed, which is based on experimental values of the detonation parAMeters. Model uses the Avakyan method for the determination of the chemical composition of the detonation products, and is applicable over a wide range of densities. Compared with the well-known KAMlet method and the numerical model of detonation based on the Becker–Kistiakowsky–Wilson Equation of state (BKW EOS), the calculated values from the proposed model have significantly better accuracy.

Keywords: detonation modeling; detonation velocity; detonation pressure; CHNO high explosives.

Full Article - PDF 1.042 KB Available OnLine: 17. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 381–392 (2012)

UDC 546.47/.49+546.56+546.815+539.163:627.8.034.7:536.535(282.243.74)(497.11); JSCS–4276; doi: 10.2298/JSC110217169V; Original scientific paper

A new approach to the analysis of the accumulation and enrichment of heavy metals in the Danube River sediment along the Iron Gate reservoir in Serbia

ŽIVORAD VUKOVIĆ, DUBRAVKA VUKOVIĆ*, MIRJANA RADENKOVIĆ and SRBOLJUB STANKOVIĆ

Institute of Nuclear Sciences Vinča, P. O. Box 502, 11001 Belgrade, Serbia

*Institute of Veterinary Medicine of Serbia, Vojvode Toze 24, 11000 Belgrade, Serbia

(Received 17 February, revised 30 June 2011)

The concentrations of heavy metals (Cu, Zn, Pb and Cd) and long-lived radionuclides (U, Th and Cs) along the Iron Gate reservoir of the River Danube in Serbia were determined. In the years 2005–2009, water and sediments were sAMpled at six sites along 200 km of the River Danube from Belgrade to the Djerdap (Iron Gate) hydroelectric power plant. The concentrations of heavy metals in the sediment were found to be in the ranges of 27.9–149.3 mg kg-1 for Cu, 55.2–228.4 mg kg-1 for Zn, 13.5–71.6 mg kg-1 for Pb, 0.3–25.2 mg kg-1 for Cd and 4.0–17.5 Bq L-1 for 137Cs. These values are in correlation with the concentrations in the river water when expressed by the equilibrium coefficients (Kd) between the solid and liquid phases. The behaviors of the heavy metals were evaluated by applications models for the prediction of the behavior of pollutants in rivers. The fluxes of heavy metals from water to sediment and vice versa were also determined.

Key words: distribution coefficients; heavy metals; MOIRA model; sediment.

Full Article - PDF 942 KB Available OnLine: 18. 11. 2011. Cited by

J. Serb. Chem. Soc. 77 (3) 393–405 (2012)

UDC 678.744.32’327+66.091.8:541.183+546.763+546.742); JSCS–4277; doi: 10.2298/JSC110410172M; Original scientific paper

Studies of the adsorption thermodynAMics and kinetics of Cr(III) and Ni(II) removal by polyacrylAMide

HASSAN ZAVVAR MOUSAVI, ABDORRAHMAN HOSSEINIFAR* and VAHDAT JAHED*

Chemistry Department, College of Sciences, Semnan University, Semnan

*Aja University of Medical Sciences, Tehran, Iran

(Received 10 April, revised 16 June 2011)

PolyacrylAMide (PAA) was investigated as an adsorbent for the removal of Ni(II) and Cr(III) metal ions from synthetic aqueous solutions. Different variables affecting the adsorption capacity of the adsorbent, i.e., contact time, pH of the sorption medium, metal ion concentration and temperature of the solution, were investigated by batch sorption experiments. The adsorption equilibrium data was best fitted by the Langmuir isotherm model. The maximum adsorption capacities were found to be 84.03 and 32.67 mg g-1 polyacrylAMide for Cr(III) and Ni(II), respectively. Three kinetic models, i.e., the pseudo-first-order, pseudo-second-order and intra-particle diffusion equations, were selected to follow the adsorption process. The kinetic parAMeters, i.e., rate constants, equilibrium adsorption capacities and related correlation coefficients, for each kinetic model were calculated and are discussed. It was indicated that the adsorption of both ions onto polyacrylAMide could be described by the pseudo-second-order kinetic model. Various thermodynAMic parAMeters, such as ΔH, ΔS and ΔG, were also evaluated and it was found that the sorption was feasible, spontaneous and exothermic.

Keywords: adsorption; polyacrylAMide; Cr(III); Ni(II); kinetic.

Full Article - PDF 1,184 KB Available OnLine: 18. 11. 2011. Cited by

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