Vol 80, No 11 - Abstracts

JSCS Vol 80, No 11

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Whole issue - PDF 9,975 kB

J. Serb. Chem. Soc. 80 (11) 1339–1359 (2015)

UDC *Plasmodium falciparum*Toxoplasma gondii+547.495.9+541.459:576+615.9:615.9:615.285:615.277; JSCS–4801; doi: 10.2298/JSC150430063O; Original scientific paper

Tetraoxanes as inhibitors of apicomplexan parasites Plasmodium falciparum and Toxoplasma gondii growth and anti-cancer molecules

DEJAN M. OPSENICA, JELENA RADIVOJEVIĆ*, IVANA Z. MATIĆ**, TIJANA ŠTAJNER***, SLAVICA KNEŽEVIĆ-UŠAJ****, OLGICA DJURKOVIĆ-DJAKOVIĆ*** AND BOGDAN A. ŠOLAJA*****

Institute of Chemistry, Technology, and Metallurgy, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia

*Institute of Molecular Genetics and Genetic Engineering, University of Belgrade, Vojvode Stepe 444a, P. O. Box 23, 11010 Belgrade, Serbia

**Institute for Oncology and Radiology of Serbia, Pasterova 14, 11000 Belgrade, Serbia

***National Reference Laboratory for Toxoplasmosis, Institute for Medical Research, University of Belgrade, Dr. Subotića 4, P. O. Box 102, 11129 Belgrade, Serbia

****Institute for Pathology, Medical Faculty, University of Novi Sad, Hajduk Veljkova 3, 21000 Novi Sad, Serbia

*****Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, P. O. Box 51, 11158, Belgrade, Serbia

(Received 30 April, revised and accepted 22 June 2015)

New cyclohexylidene 1,2,4,5-tetraoxanes with polar guanidine and urea based groups were synthesized and evaluated for their antimalarial activity against chloroquine resistant and susceptible Plasmodium falciparum strains. The derivatives showed moderate, nM range antimalarial activities and low cytotoxicity. The N-phenylurea derivative 24 exhibited the best resistance indices (RIW2 = 0.44, RITM91C235 = 0.80) and was not toxic against human normal peripheral blood mononuclear cells (IC50 > 200 μM). Seven derivatives were tested in vitro against four human cancer cell lines and they demonstrated high selectivity toward leukaemia K562 cells. One compound, derivative 21 with a primary amino group, was the first tetraoxane tested in vivo against Toxoplasma gondii as another apicomplexan parasite. Subcutaneous administration at a dose of 10 mg kg-1 day-1 for 8 days allowed the survival of 20 % of infected mice, thus demonstrating the high potential of tetraoxanes for the treatment of apicomplexan parasites.

Keywords: antimalarials; antiparasitic; peroxides; cancer; cytotoxicity.

Full Article - PDF 1,026 kB Supplementary Material PDF 2,495 kB Available OnLine: 16. 07. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1361–1366 (2015)

UDC 547.759.32+546.76–36:542.913:3542.96:615.28–188; JSCS–4802; doi: 10.2298/JSC141203051A; Original scientific paper

One-pot synthesis of carbazole based 3-hydroxy-4H-chromen-4-ones by a modified Algar–Flynn–Oyamada reaction and their antimicrobial activity

DONGAMANTI ASHOK, SIDDA RAVI, BOMMIDI VIJAYA LAKSHMI and ARRAM GANESH

Department of Chemistry, Osmania University, Hyderabad - 500 007, India

(Received 3 December 2014, revised 30 March, accepted 10 June 2015)

A new series of 2-(9-ethyl-9H-carbazol-3-yl)-3-hydroxy-4H-chromen-4-ones were synthesized from substituted 2-hydroxyacetophenones and 9-ethyl-9H-carbazole-3-carbaldehyde using NaOH and H2O2 by a modified Algar–Flynn–Oyamada reaction. In this method, the flavonols were synthesized in good yields (70–82 %) without isolating chalcones. The structures of the compounds were established based on 1H-NMR, 13C-NMR, FT-IR and mass spectral and analytical data. All the compounds were evaluated for their antimicrobial activity against bacteria, such as Staphylococus aureus, Bacillus subtilis, Escherichia coli and Klebsiella pneumoniae, as well as fungi, such as Aspergillus flavus and Fusarium oxysporum.

Keywords: 2-(9-ethyl-9H-carbazol-3-yl)-3-hydroxy-4H-chromen-4-ones; modified Algar–Flynn–Oyamada reaction; antimicrobial activity.

Full Article - PDF 274 kB Supplementary Material PDF 423 kB Available OnLine: 22. 06. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1367–1374 (2015)

UDC 547.496.2–327:542.913:615.282–188; JSCS–4803; doi: 10.2298/JSC150114047L; Original scientific paper

Facile synthesis and antifungal activity of dithiocarbamate derivatives bearing an amide moiety

YU-WEN LI and SHU-TAO LI

School of Chemistry and Pharmacy, Qingdao Agricultural University, Qingdao, P. R. China

(Received 14 January, accepted 24 May 2015)

Two series of novel dithiocarbamate derivatives bearing an amide moiety, 3a–i and 4a–i, were synthesized by a facile method, and the structures of the derivatives were confirmed by elemental analysis and 1H-NMR, 13C-NMR and high-resolution mass spectrometry (HRMS). Their antifungal activity against five phytopathogenic fungi were evaluated, and the results showed that most of the target compounds displayed low antifungal activity in vitro against Gibberella zeae, Cytospora sp., Colletotrichum gloeosporioides, Alternaria solani, and Fusarium solani at a concentration of 100 mg L-1. However, two compounds, 4f and 4g, exhibited significant activity against A. solani and C. gloeosporioides, respectively.

Keywords: antifungal activity; dithiocarbamate derivatives; amide moiety; synthesis.

Full Article - PDF 346 kB Supplementary Material PDF 475 kB Available OnLine: 22. 06. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1375–1390 (2015)

UDC 582.282.123.4:664.644.5+663.142/.143:66.098; JSCS–4804; doi: 10.2298/JSC150317041D; Original scientific paper

Highly efficient production of Aspergillus niger amylase cocktail by solid-state fermentation using triticale grains as a well-balanced substrate

BILJANA DOJNOV, MARICA GRUJIĆ* and ZORAN VUJČIĆ*

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

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

(Received 17 March, revised 12 May, accepted 18 May 2015)

Triticale (x Triticosecale, Wittmack), an important industrial crop, with high grain yield, containing high amounts of starch, proteins and also major and minor mineral elements, is not yet sufficiently utilized. The simultaneous production of α-amylase and glucoamylase isoforms by Aspergillus niger on triticale grains, without any nutritive supplements, was developed, optimized and scaled up 10 fold for the first time. The specific combination of the examined effects led to the production of a novel glucoamylase isoform. Reduction of particle size, increase in oxygen availability and substrate height lead to an increase of 30 % in the production of amylases. Reduction of the relative humidity from 65 to 30 % increased glucoamylase production 2 fold and α-amylase production by 30%. The peak production of α-amylase (158 U g-1) and glucoamylase (170 U g-1) were obtained in Erlenmeyer flasks and in scaled-up trays. The obtained A. niger amylase cocktail was more efficient in raw starch hydrolysis from wheat flour, 29 % more efficient in glucose formation and 10 % more efficient in total reducing sugar formation, than the commercially available amylase cocktail SAN Super 240L, which is widely used in industry.

Keywords: α-amylase; glucoamylase; fungi; enzyme production; solid-state fermentation, raw starch.

Full Article - PDF 902 kB Available OnLine: 24. 05. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1391–1397 (2015)

UDC 546.732+547.821+547.595:544.421.032.4:548.7:543.57; JSCS–4805; doi: 10.2298/JSC150224050L; Original scientific paper

Solid–solid synthesis, characterization and thermal decomposition of a homodinuclear cobalt(II) complex

DI LI, GUO-QING ZHONG and ZHI-XIAN WU

School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, China

(Received 24 February, revised 25 May, accepted 6 June 2015)

The homodinuclear cobalt(II) complex [Co2(dipic)2(H2O)5]·2H2O was synthesized using pyridine-2,6-dicarboxylic acid (H2dipic) and cobalt(II) acetate as raw materials by room temperature solid–solid reaction. The complex was characterized by elemental analyses, single crystal X-ray diffraction, X-ray powder diffraction, Fourier transform infrared spectroscopy, UV spectroscopy, thermogravimetry and differential scanning calorimetry. Its crystal structure belongs to monoclinic system and space group P2(1)/c. There are two types of six-coordinated Co(II) ions, one Co(II) is coordinated by four carboxyl O atoms and two pyridine N atoms from two dipic2- anions, and another Co(II) is coordinated by five O atoms from five H2O molecules and one bridged carboxyl O atom from the dipic2- anion. The possible pyrolysis reactions in the thermal decomposition processes of the complex, the experimental and calculated percentage mass loss are also given.

Keywords: cobalt(II) complex; pyridine-2,6-dicarboxylic acid; room temperature solid–solid reaction; crystal structure; thermal analysis.

Full Article - PDF 743 kB Supplementary Material PDF 1,569 kB Available OnLine: 22. 06. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1399–1410 (2015)

UDC 546.722/.723+533.6.013.7:532.14:537.872; JSCS–4806, doi: 10.2298/JSC150611068G; Original scientific paper

Spin state relaxation of iron complexes: The case for OPBE and S12g

MAJA GRUDEN, STEPAN STEPANOVIĆ* and MARCEL SWART**

Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, 11001 Belgrade, Serbia

*Center for Chemistry, ICTM, University of Belgrade, Njegoševa 12, 11001 Belgrade, Serbia

**Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Campus Montilivi, Facultat de Ciències, 17071 Girona, Spain and Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23,
08010 Barcelona, Spain

(Received 11 June, revised 14 July, accepted 15 July 2015)

The structures of nine iron complexes that show a diversity of experimentally observed spin ground states were optimized and analyzed using the Density Functional Theory (DFT). An extensive validation study of the new S12g functional was performed, with a discussion concerning the influence of the environment, geometry and its overall performance based on a comparison with the well-proven OPBE functional. The OPBE and S12g functionals gave the correct spin ground state for all investigated iron complexes. Since S12g performs remarkably well, it could be considered a reliable tool for studying the energetics of the spin state in complicated transition metal systems.

Keywords: density functional theory; Fe(II) and Fe(III) coordination compounds; validation study; spin states.

Full Article - PDF 751 kB Supplementary Material PDF 928 kB Available OnLine: 27. 08. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1411–1421 (2015)

UDC 547.551.2+544.526.5:546.831–31:546.47–31+546.47’22; JSCS–4807 doi:10.2298/JSC140824122K; Original scientific paper

Light-induced oxidative transformation of diphenylamine on ZrO₂. Synergism by ZnO and ZnS

CHOCKALINGAM KARUNAKARAN, SWAMINATHAN KARUTHAPANDIAN and PAZHAMALAI VINAYAGAMOORTHY

Department of Chemistry, Annamalai University, Annamalainagar 608002, Tamilnadu, India

(Received 24 August, revised 13 December, accepted 15 December 2014)

Diphenylamine (DPA) in ethanol on the surface of ZrO2 undergoes photoinduced oxidative transformation yielding N-phenyl-p-benzoquinonimine (PBQI). The light-induced transformation on ZrO2 enhanced with DPA concentration, ZrO2-loading, airflow rate and photon flux. The formation of PBQI on ZrO2 is larger on illumination at 254 nm than at 365 nm. The ZrO2 is reusable without any treatment. The mechanism of light-induced oxidative transformation of DPA on ZrO2 is discussed with an appropriate kinetic law. ZnO and ZnS enhance the UV light-induced transformation of DPA on ZrO2, indicating synergism.

Keywords: photooxidation; wide band gap; sub-band gap illumination; photocatalysis.

Full Article - PDF 400 kB Available OnLine: 15. 12. 2014. Cited by

J. Serb. Chem. Soc. 80 (11) 1423–1433 (2015)

UDC 547.533+547.216+547.412.113:541.12.034.2:532.14; JSCS–4808; doi: 10.2298/JSC150318062I; Original scientific paper

Modeling of density and calculations of derived volumetric properties for n-hexane, toluene and dichloromethane at pressures 0.1–60 MPa and temperatures 288.15–413.15 K

GORICA R. IVANIŠ, ALEKSANDAR Ž. TASIĆ, IVONA R. RADOVIĆ, BOJAN D. DJORDJEVIĆ, SLOBODAN P. ŠERBANOVIĆ and MIRJANA LJ. KIJEVČANIN

Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4,
11120 Belgrade, Serbia

(Received 18 March, revised 30 June, accepted 1 July 2015)

Densities data of n-hexane, toluene and dichloromethane at temperatures 288.15–413.15 K and at pressures 0.1–60 MPa, determined in a previous article, were fitted to the modified Tait equation of state. The fitted temperature–pressure dependent density data were used to calculate the following derived properties: the isothermal compressibility, the isobaric thermal expansivity, the difference between specific heat capacity at constant pressure and at constant volume and the internal pressure, over the entire temperature and pressure intervals specified above. In order to assess the proposed modeling procedure, the obtained values for the isothermal compressibility and the isobaric thermal expansivity were compared with the corresponding literature data. The average absolute percentage deviations for the isothermal compressibility were for n-hexane 2.01–3.64 %, for toluene 0.64–2.48 % and for dichloromethane 1.81–3.20 %, and for the isobaric thermal expansivity, they were for n-hexane 1.31–4.17 %, for toluene 0.71–2.45 % and for dichloromethane 1.16–1.61 %. By comparing the obtained deviations values with those found in the literature, it could be concluded that the presented results agree well with the literature data.

Keywords: high pressure; isobaric thermal expansivity; isothermal compressibility; n-hexane; toluene; dichloromethane.

Full Article - PDF 352 kB Supplementary Material PDF 442 kB Available OnLine: 16. 07. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1435–1448 (2015)

UDC 678.652+541.48+547.462.3+547.212’544.2:544.351.3:66.094.522; JSCS–4809; doi: 10.2298/JSC150305064Z; Original scientific paper

Preparation and characterization of a new polyaniline salt with good conductivity and great solubility in dimethyl sulphoxide

HICHEM ZEGHIOUD, SAAD LAMOURI, YASMINE MAHMOUD and TARIK HADJ-ALI*

Laboratoire de Chimie Macromoléculaire, Ecole Militaire Polytechnique, BP 17,
Bordj El Bahri, Alger, Algeria

*Laboratoire des systèmes électroniques et
optroniques, Ecole Militaire Polytechnique, BP 17, Bordj El Bahri, Alger, Algeria

(Received 5 March, revised 2 June, accepted 18 June 2015)

In this study, a novel conducting and soluble polyaniline salt prepared by chemical polymerization in the presence of a new doping agent (IAs) is proposed. This doping agent was prepared by the sulphonation of itaconic acid (IA) with concentrated sulphuric acid in tetrahydrofuran (THF). The obtained doped polyaniline (PANI–IAs) was extremely soluble in dimethyl sulphoxide (DMSO) at room temperature, in which the solubility reached 44 mg mL-1. The conductivity measurement of doped polyaniline powder precipitated in THF as dispersing medium gave a value of 0.13 S cm-1 when the emeraldine base form of polyaniline was fully protonated. The polyaniline salt sample was characterized by thermogravimetry (TG), differential scanning calorimetry (DSC), X-ray diffraction and UV–Vis and FTIR spectroscopy.

Keywords: conducting polymer; PANI; itaconic acid; sulphonation; solubility.

Full Article - PDF 1,377 kB Available OnLine: 19. 07. 2015. Cited by

J. Serb. Chem. Soc. 80 (11) 1449–1459 (2015)

UDC 678.017+66.017:620.3:539.196:539.3; JSCS–4810; doi: 10.2298/JSC141025054J; Original scientific paper

The influence of interlayer interactions on the mechanical properties of polymeric nanocomposites

MEHRDAD JABBARZADEH and AMIR REZA GOLKARIAN*

Department of Mechanical Engineering, Mashhad Branch, Islamic Azad University, Mashhad, Iran

*Department of Mechanical Engineering, Science and Research Branch, Islamic Azad University, Tehran, Iran

(Received 25 October 2014, revised 10 March, accepted 18 June 2015)

In this study, the influence of the type of interlayer interactions on the elastic modules of multilayer graphene sheets (GS) and nanocomposites was investigated. The modeling and investigation of mechanical properties of graphite layers were performed using the molecular mechanics (MM) method. Initially, for improving the model and decreasing the amount of computations, three types of elements, i.e., a beam, a linear spring and a nonlinear spring, were used. Continuing, the mechanical properties of multilayers and nanocomposites were compared using three types of interlayer interactions. Initially, a nonlinear spring defined by the Leonard Jones potential was used to define the interlayer interactions (ordinary case). Then, a linear spring with a certain stiffness, to obtain an equal linear spring and to investigate the ultimate capacity of interlayer interactions in the translation of force, by increasing the stiffness of linear springs, was employed (chemical change). Then, by omitting all Van der Waals interactions and the creation of defects in the graphite layers, covalent interlayer interactions (using the Morse potential) were created. Finally, Van der Waals and covalent interlayer interactions were created spontaneously to study the properties of multilayers and nanocomposites (functionalization). The results were compared with other available literature data in order to validate the modeling.

Keywords: structural mechanics approach; graphene sheet; elastic modules; vacancy defect; functionalization.

Full Article - PDF 237 kB Supplementary Material PDF 2,034 kB Available OnLine: 07. 07. 2015. Cited by

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