JSCS Vol 79, No 12

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J. Serb. Chem. Soc. 79 (12) 1461–1467 (2014)

UDC 547.53.024+547.861.3+544.723.232+539.196:547.233–304.2; JSCS–4679; doi: 10.2298/JSC140423070S; Original scientific paper

 

Investigation of key interactions between the second extracellular loop of the dopAMine D2 receptor and several hydroxy-N-{[2-(4-phenylpiperazin-1-yl)ethyl]phenyl}-nicotinAMides

VLADIMIR ŠUKALOVIĆ, VUKIĆ ŠOŠKIĆ*, DJURDJICA IGNJATOVIĆ**,DEANA ANDRIĆ***, JELENA PENЈIŠEVIĆ AND SLADJANA KOSTIĆ-RAJAČIĆ

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

*ORGENTEC Diagnostika GmbH, Carl-Zeiss-Str. 49, 55129 Mainz, Germany
**Institute for Biological Research “Siniša Stanković”, University of Belgrade, Bulevar despota Stefana 142, 11060 Belgrade, Serbia ***Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, 11000 Belgrade, Serbia

                                

(Received 23 April, revised 2 July, accepted 6 July 2014)

The dopAMinergic receptor system has been the focus for the deve lop ment of new pharmacotherapeutic agents targeting a number of central nervous system related disorders, such as drug addiction, schizophrenia, dep ression, and Parkinson’s disease, to nAMe just a few. To date, the crystal struc ture for the human D2 receptor is not known, despite its vital function and importance as a therapeutic target. Herein, a recent advancement in the determination of key receptor–ligand interactions for the available arylpiper azine-like ligands, using a D2 receptor model based on the crystal structure of the D3 receptor is presented. To determine key interactions responsible for high dopAMinergic activity, computer-docking analysis was used together with experimental data. A total of 4 dopAMinergic ligands showing moderate to high affinity were tested and the obtained results rationalized using ligand structures docked into the proposed D2 receptor model.

 

Keywords: arylpiperazine; G protein-coupled receptors; docking; molecular modeling.

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J. Serb. Chem. Soc. 79 (12) 1469–1475 (2014)

UDC 547.53.024+547.721+547.73+547.77+542.913:615.27–188; JSCS–4680; doi: 10.2298/JSC140109090J; Original scientific paper

 

Synthesis and antioxidant activity study of pyrazoline carrying an arylfuran/arylthiophene moiety

VIDYASHREE H. S. JOIS, BALAKRISHNA KALLURAYA AND KOTATHATTU S. GIRISHA

Department of Studies in Chemistry, Mangalore University, Mangalagangothri, Konaje – 574 199, India

*Solid State and Structural Chemistry Unit (SSCU), Indian Institute of Science, Bangalore – 560 012, India

 

(Received 9 January, revised 4 September, accepted 8 September 2014)

A novel series of N-acetyl-3-aryl-5-(5-(p/o-nitrophenyl)-2-furyl/ /thienyl)-substituted pyrazolines (3ao) were synthesized by the reaction of1-aryl-3-(5-(p/o-nitrophenyl)-2-furyl/thienyl)-2-propene-1-ones with hydrazine hydrate in acetic acid medium. The structures of the newly synthesized com pounds were established by IR, 1H-NMR, mass spectra and a single-crystalX-ray study. The antioxidant activities of the synthesized compounds were determined using the DPPH scavenging assay. The compounds 3a, 3f, 3h and 3o showed moderate activity.

 

Keywords: N-acetyl-3,5-disubstituted pyrazoline; antioxidant activity; aryl furan; arylthiophene.

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J. Serb. Chem. Soc. 79 (12) 1477–1490 (2014)

UDC *Trichinella spiralis+543:616–008.92; JSCS–4681; doi: 10.2298/JSC140402065D; Original scientific paper

 

Detection of a Trichinella-specific IgE in human trichinellosis – the creation of a new test

MARIJA DEVIĆ, ALISA GRUDEN-MOVSESIJAN and LJILJANA SOFRONIĆ-MILOSAVLJEVIĆ

Institute for the Application of Nuclear Energy – INEP, University of Belgrade, Banatska 31b, 11080 Belgrade, Serbia

 

(Received 2 April, revised 23 June 2014, accepted 24 June 2014)

Trichinellosis is a parasitic disease of humans caused by nematodes from the genus Trichinella, predominantly Trichinella spiralis. If Trichinella infection is suspected based on an epidemiological link and clinical criteria within defined period of time, then finding of Trichinella-specific antibodies in the exAMined sera provides definitive proof of the establishment of infection. Detection of a Trichinella-specific IgE that could precede, coincide or follow IgG seroconversion not only confirms the existence of infection, but could narrow the time frAMe in which the infection occurred to a year or even less. Since there are no commercially available tests for monitoring the presence of a Trichinella-specific IgE during the course of the disease, the present work was aimed at establishing this kind of ELISA test. The specificity and sensitivity of hitherto described Trichinella-specific IgE ELISAs are not sufficiently satis factory; the two major problems are poor discrimination between positive and negative results and cross reactivity with sera of patients with different para sitic diseases. In this study, a Trichinella-specific IgE capture ELISA was developed that overcomes the problems of specificity and sensitivity and enables the determination of Trichinella-specific IgE.

 

Keywords: Trichinella spiralis; Trichinella-specific IgE; capture ELISA.

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J. Serb. Chem. Soc. 79 (12) 1491–1503 (2014)

UDC 547.455.623’292:54.05+577.15:616.379–008.64; JSCS–4682; doi: 10.2298/JSC140430076J; Original scientific paper

 

How the sialylation level of serum N-acetyl-β-D-glucosAMinidase A form in Type 1 diabetes mellitus influences their activity?

VESNA B. JOVANOVIĆ, JELENA M. AĆIMOVIĆ, VESNA S. DIMITRIJEVIĆ SREĆKOVIĆ* AND LJUBA M. MANDIĆ

Faculty of Chemistry, Chair of Biochemistry, University of Belgrade, Studentski trg 12–16, Belgrade 11158, Serbia

*Institute of Endocrinology, Diabetes and Metabolic Diseases, Clinical Center of Serbia, Belgrade 11000, Dr Subotića 13, Serbia

 

(Received 30 April, revised 9 July, accepted 17 July 2014)

It was verified that the serum N-acetyl-β-D-glucosAMinidase (NAG) activity is elevated in diabetes, but there are no reports about changes in the sialic acid (SA) content in the carbohydrate parts of the NAG A form and its influence on the total changes in NAG activity in type 1 diabetes mellitus patients with and without secondary complications. The NAG A form was iso lated from the serum of 81 insulin-dependent diabetes mellitus (IDDM) patients with and without secondary complications (retinopathy, polyneuro pathy and nephropathy) and 25 healthy persons, and purified and characterised. The content of α-2,6-bound SA, the isoenzyme patterns of the purified A form, and the total NAG and A form activities were determined. In all diabetic groups, the sialylation levels of the A form were 2–3.5 times lower compared to control, while their acidities (fractions with pI 4.25–5.1) increased, parti cul arly with progression of secondary complications. Total serum NAG activities and percentages of A form were significantly higher (P < 0.001) in all diabetic groups and negatively correlated with the α-2,6-bound SA content of the A form. In addition, they decreased as secondary diabetic complications becAMe more complex. The observed changes could be the consequence of structural changes in the A form due to significant increases in its acidity, i.e., negative charge, which originated from groups other than SA.

 

Keywords: N-acetyl-β-D-glucosAMinidase; A isoenzyme isolation and char acter ization; sialylation level, diabetes mellitus type 1; secondary compli cations.

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J. Serb. Chem. Soc. 79 (12) 1505–1513 (2014)

UDC 546.472’482+547.856:542.9+547.571+547.551:615.281–188; JSCS–4683; doi: 10.2298/JSC140130093B; Original scientific paper

 

Synthesis, characterization and antibacterial activities of Zn(II) and Cd(II) complexes of a 3-AMino-2-phenylquinazolin-4(3H)-one Schiff base

DHIRAJ BRAHMAN and BISWAJIT SINHA

Department of Chemistry, University of North Bengal, Darjeeling-734013, India

 

(Received 30 January, revised 18 June, accepted 11 September 2014)

Zn(II) and Cd(II) complexes of a Schiff base derived from 3-AMino-2-phenylquina zolin-4(3H)-one and 2-(2-formylphenoxy) acetic acid were pre pared and char acterized by elemental and different spectroscopic (IR, UV–Vis and NMR) analyses. The elemental analysis indicated the formation of the complexes: [ML(AcO)]·H2O, where M stands for Zn(II) or Cd(II) and L stands for the Schiff base. The molar conductivities of the prepared complexes revealed their non-electrolytic nature. The complexes were also investigated for their antimicrobial activities using the turbidimetric assay method.

 

Keywords: Zn(II); Cd(II); quinazolin-4(3H)-one Schiff base; 2-(2-formylphen oxy) acetic acid; antibacterial activities.

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J. Serb. Chem. Soc. 79 (12) 1515–1521 (2014)

UDC 547.53+549.746+549.328.3:544.131:515.12; JSCS–4684, doi: 10.2298/JSC140619080G; Original scientific paper

 

Topological properties of altan-benzenoid hydrocarbons

IVAN GUTMAN

Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac, Serbia and State University of Novi Pazar, Novi Pazar, Serbia

 

(Received 19 June, revised 19 July 2014, accepted 21 July 2014)

The main topological characteristics of altan-benzenoids were estab lished. In particular, it was shown that the perimeter of Kekuléan altan-ben zenoids is of size 4k , having a destablizing (anti-aromatic) energy effect, similar to (4k)-annulenes.

 

Keywords: altan-benzenoid hydrocarbon; benzenoid hydrocarbon; annulene; molecular graph; cyclic conjugation.

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J. Serb. Chem. Soc. 79 (12) 1523–1536 (2014)

UDC 547.821–035.67:66.099.72+541.135:66.087; JSCS–4685; doi:10.2298/JSC140409063M; Original scientific paper

 

optimization of electrochemical decolorization of certain arylazo pyridone dyes

JELENA M. MIRKOVIĆ, NEVENA Ž. PRLAINOVIĆ, GORDANA S. UŠĆUMLIĆ, BRANIMIR N. GRGUR and DUŠAN Ž. MIJIN

Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11020 Belgrade, Serbia

 

(Received 9 April, revised 30 May 2014, accepted 18 June 2014)

Abstract: Electrocatalytic decolorization of arylazo pyridone dyes was inves tigated in the presence of sodium chloride using a DSA Ti/PtOx electrode in dilute sodium hydroxide. The decolorization could be attributed to the indirect oxidation of the investigated dyes by electrogenerated hypochlorite formed from the chloride oxidation. The electrochemical decolorization was inves tigated for the different sodium hydroxide concentrations in the range from 40 mg dm-3 to 4 g dm-3, sodium chloride concentrations in the range from 15 to 40 g dm-3, currents in the range of 100 to 250 mA and dye concentrations from 5 to 20 mg dm-3. The optimum electrolysis conditions are suggested. The effect of substituents on the reaction rate was also studied.

 

Keywords: pyridone; electrolysis; hypochlorite; UV–Vis spectroscopy; donor–acceptor effects.

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J. Serb. Chem. Soc. 79 (12) 1537–1543 (2014)

UDC 663.551.5:634.22+543.51+543.544–14:547.576; JSCS–4686; doi: 10.2298/JSC140225079T; Short communication

 

SHORT COMMUNICATION

Development and validation of an LC-MS/MS method with a multiple reactions monitoring mode for the quantification of vanillin and syringaldehyde in plum brandies

VELE TEŠEVIĆ*, IVANA ALJANČIĆ**, VLATKA VAJS*,**, MARIJANA ŽIVKOVIĆ**, NINOSLAV NIKIĆEVIĆ***, IVAN UROŠEVIĆ*** AND LJUBODRAG VUJISIĆ*

*Faculty of Chemistry, University of Belgrade, Studentski trg 16, 11058 Belgrade, Serbia

**Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoševa 12, 11001 Belgrade, Serbia

***Faculty of Agriculture, University of Belgrade, Nemanjina 6, 11080 Zemun, Serbia

 

(Received 25 February, revised 21 July, accepted 22 July 2014)

An ultra-performance liquid chromatographic–triple quadrupole mass spectrometric (UPLC-QqQ-MS/MS) method with a multiple reactions moni toring mode (MRM) was developed and validated for the quantification of vanillin and syringaldehyde in plum brandy. The method showed good linearity (0.05 to 10 mg L-1) and low limits of detection and quantification (the LOD and LOQ values were 11.6 and 38.2 µg L-1 for vanillin, and 12.7 and 42.0 µg L-1 for syringaldehyde, respectively). The overall intra-day and inter-day variations were less than 4.21 % and the overall recovery was over 93.0 %. The correl ation coefficients (R2) of the calibration curves were higher than 0.9999. In order to evaluate whether the method was suitable for use as a routine anal ytical tool, vanillin and syringaldehyde were determined in 31 sAMples of Serb ian plum brandy.

 

Keywords: vanillin; syringaldehyde; plum brandy; LCMS/MS.

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J. Serb. Chem. Soc. 79 (12) 1545–1559 (2014)

UDC 546.47’221+539.12+546.141:519.877+544.112; JSCS–4687; doi: 10.2298/JSC131115050K; Original scientific paper

 

Molecular modelling of zinc sulphide nanoparticles stabilized by cetyltrimethylAMmonium bromide

PETR KOVÁŘ*, PETR PRAUS**,***, MIROSLAV POSPÍŠIL* AND RICHARD DVORSKÝ****,*****

*Charles University in Prague, Faculty of Mathematics and Physics, Ke Karlovu 3, 12116 Prague 2, Czech Republic

**Institute of Environmental Technology, VŠB-Technical University of Ostrava, 17. Listopadu 15, 708 33 Ostrava-Poruba, Czech Republic

***Department of Chemistry, VŠB-Technical University of Ostrava, 17. Listopadu 15, 708 33 Ostrava-Poruba, Czech Republic

****Institute of Physics, VŠB-Technical University of Ostrava, 17. Listopadu 15, 708 33 Ostrava-Poruba, Czech Republic

*****Regional Materials Science and Technology Centre, VŠB-Technical University of Ostrava, 17. Listopadu 15,708 33 Ostrava-Poruba, Czech Republic

 

(Received 15 November 2013, revised 28 February 2014, accepted 10 May 2014)

ZnS nanoparticles stabilized by cetyltrimethylAMmonium bromide (CTAB) were modelled in the Materials Studio environment. Four types of models with different distances between the ZnS nanoparticles and different AMounts of cetyltrimethylAMmonium (CTA) cations without water and in a water environment were built and characterized by calculation of sublimation energies. The results of the molecular modelling without water showed that the most favourable model consisted of two ZnS nanoparticles with a distance of 8–9 nm separated without immersion of CTAs. On the contrary, the most favourable model in a water environment was composed of ZnS nanoparticles that nearly touched each other. CTA cations exhibited a tendency to be located on the ZnS surface forming sparse covers. The size distributions of the ZnS nanoparticles obtained by transmission electron microscopy (TEM) measure ments agreed well with the molecular modelling results.

 

Keywords: molecular modelling; ZnS nanoparticles; cetyltrimethylAMmonium bromide; interactions.

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J. Serb. Chem. Soc. 79 (12) 1561–1570 (2014)

UDC 54.001.5+37:303.71:001.818; JSCS–4688; doi: 10.2298/JSC140610066D; Extended abstract

 

EXTENDED ABSTRACT

How to present and publish research results

ALEKSANDAR DEKANSKI

ICTM – Department of Electrochemistry, University of Belgrade, Njegoševa 12, Belgrade, Serbia

 

(Received 10 June, accepted 25 June 2014)

The end of each research is the presentation of its results to the public, especially to those who are engaged in similar research. This is part icularly true for scientific research. A scientific paper is a written report that contains a presentation of the results of original scientific research. Its format is defined by centuries-old tradition of writing, the editorial practices of the pub lishers, scientific ethics, accepted standards and requirements of modern print ing and publishing. Unfortunately, the experience of publishers and editors of scientific books and journals show that a large number of submitted contri butions do not meet the minimum requirements to be even considered for pub lication. This article indicates the most important principles that one should bear in mind during the creation of a full text paper or presentation of scientific results.

 

Keywords: scientific paper; instructions for authors; creating tables; creating illustrations; article submission.

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J. Serb. Chem. Soc. 79 (12) 1571–1574 (2014)

UDC 556.551+546.3:544.362:579.68(497.11); JSCS–4689; doi: 10.2298/JSC131228100B; Letter to the Editor

 

LETTER TO THE EDITOR

Commentary on the article entitled “Investigation of the microbial diversity of an extremely acidic, metal-rich water body (Lake Robule, Bor, Serbia)” by Srđan Stanković, Ivana Morić, Aleksandar Pavić, Branka Vasiljević, D. Barrie Johnson and Vladica Cvetković, published in the Journal of the Serbian Chemical Society, Volume 79, Issue 6, Pages: 729–741 (available online 27 June 2013)

VLADIMIR P. BEŠKOSKI AND MIROSLAV M. VRVIĆ

Faculty of Chemistry, University of Belgrade, 11158 Belgrade, Studentski trg 16, P. O. Box 51, Serbia and Department of Chemistry, Institute of Chemistry, Technology and Metallurgy, 11001 Belgrade, Njegoševa 12, P. O. Box 473, Serbia

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J. Serb. Chem. Soc. 79 (12) 1575–1578 (2014)

UDC 556.551+546.3:544.362:579.68(497.11); JSCS–4690; doi: 10.2298/JSC141105111S; Letter to the Editor

 

LETTER TO THE EDITOR

Reply on the Commentary on paper “Investigation of microbial diversity of an extremely acidic metal-rich water body Lake Robule (Bor, Serbia) published in Journal of the Serbian Chemical Society, Volume 79, Issue 6, Pages: 729–741

SRĐAN STANKOVIĆ, BRANKA VASILJEVIĆ* AND VLADICA CVETKOVIĆ

University of Belgrade, Faculty of Mining and Geology, Đušina 7, 11000 Belgrade, Serbia

*University of Belgrade, Institute of Molecular Genetics and Genetic Engineering, Vojvode Stepe 444a, 11000 Belgrade, Serbia

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J. Serb. Chem. Soc. 79 (12) 1579–1589 (2014)

 

Contents of Volume 79

 

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J. Serb. Chem. Soc. 79 (12) 1591–1597 (2014)

 

Author Index Vol. 79

 

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J. Serb. Chem. Soc. 78 (12) (2014)

 

Subject Index Vol. 79

(Electronic version only)

 

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J. Serb. Chem. Soc. 78 (12) (2014)

 

2014 List of Referees
(Electronic version only)

 

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December 28. 2014.

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