Vol 80, No 4 - Abstracts

JSCS Vol 80, No 4

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Whole issue - PDF 2,041 kB

J. Serb. Chem. Soc. 80 (4) 453–458 (2015)

UDC 547–304.2+547.556.5+547.298.61++661.8’038+66.095.3.095.252; JSCS–4728; doi: 10.2298/JSC141021124B; Short communication

SHORT COMMUNICATION

Novel one-pot process for the synthesis of ethyl 2-imino-4-methyl-2,3-dihydrothiazole-5-carboxylates

HAMID BEYZAEI, REZA ARYAN and HADI MOGHADAS

Department of Chemistry, Faculty of Science, University of Zabol, Zabol 9861335856, Iran

(Received 21 October, revised 13 December, accepted 17 December 2014)

A facile one-pot, two-step process for the synthesis of ethyl 2-imino-4-methyl-2,3-dihydrothiazole-5-carboxylates via the cyclocondensation of ethyl 3-oxo-2-thiocyanatobutanoate with a variety of hydrazine and hydrazide derivatives was developed. Ethyl 3-oxo-2-thiocyanatobutanoate itself was synthesized as an intermediate from the reaction of ethyl 2-chloroacetoacetate with potassium thiocyanate (KSCN). The molecular structures of these newly synthesized compounds were elucidated based on elemental analysis and spectral data.

Keywords: three-component reaction; thiocyanation; thiazole derivatives; cyclocondensation; hydrazines; hydrazides.

Full Article - PDF 191 kB Supplementary Material PDF 58 kB Available OnLine: 17. 12. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 459–464 (2015)

UDC 547.78+54–732+537.5+547.53.024+547.37+66.095.253; JSCS–4729; doi: 10.2298/JSC131223027D; Short communication

SHORT COMMUNICATION

N-Methylimidazole-mediated synthesis of aryl alkyl ethers under microwave irradiation and solvent free conditions

HOORIEH DJAHANIANI, LAILA AGHADADASHI-ABHARI* and BITA MOHTAT**

Department of Chemistry, Islamic Azad University, East Tehran Branch, Tehran, Iran

*Department of Chemistry, East Tehran Branch, Payame Noor University, Tehran, Iran

**Department of Chemistry, Islamic Azad University, Karaj Branch, Karaj, Iran

(Received 23 December 2013, revised and accepted 16 March 2014)

A microwave-assisted three-component reaction was established for the synthesis of aryl alkyl ethers. The reaction was performed under solvent-free conditions in the presence of N-methylimidazole and dialkyl acetylenedicarboxylate to furnish a novel approach to O-alkylation of phenol derivatives in high yield.

Keywords: microwave-assisted; three-component reaction; N-methylimidazole; O-alkylation; dialkyl acetylenedicarboxylate.

Full Article - PDF 106 kB Supplementary Material PDF 57 kB Available OnLine: 16. 03. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 465–473 (2015)

UDC *Tephrosia purpurea+*Ipomoea carnea:665.52/.54.002.68–188+547.295.92+543.544.3+543.51; JSCS–4730; doi: 10.2298/JSC140425082S; Original scientific paper

Chemical constituents of the essential oils of Tephrosia purpurea and Ipomoea carnea and their repellent activity against Odoiporus longicollis

KITHERIAN SAHAYARAJ, POOLPANDI KOMBIAH, ANAND K. DIKSHIT* AND J. MARTIN RATHI**

Crop Protection Research Centre, St. Xavier’s College (autonomous), Palayamkottai – 627 002, Tamil Nadu, India

*Division of Agrochemicals, Indian Agricultural Research Institute, New Delhi - 110 012, India

**Department of Chemistry, St. Mary’s College, Thoothukudi – 628 002, Tamil Nadu, India

(Received 25 April, revised 29 July, accepted 29 July 2014)

The chemical constituents of the essential oils (EOs) obtained from stem and root of Tephrosia purpurea (L.) Pers. and Ipomoea carnea Jacq. were investigated by gas chromatography–mass spectrometry (GC–MS). The total contents of lipid and oil were higher in the stem than in the root of T. purpurea and I. carnea. The essential oils extracted from the stem and root of T. purpurea and I. carnea contained 9 and 8 compounds, respectively. Hexadecanoic acid was found to be the principal constituent of stem (69.61 %) and root (46.97 %) of T. purpurea and of the stem (70.61 %) and root (88.89 %) of I. carnea. The findings of the present study suggest that the EOs of T. purpurea and I. carnea could be a source of hexadecanoic acid that could be used for industrial purposes. The essential oils of T. purpurea and I. carnea showed stronger repellent activity for males (–0.73 and –0.70 for T. purpurea and I. carnea stem EO, respectively) than for females (–0.63 and –0.59 for T. purpurea and I. carnea stem EO, respectively) of the banana pseudostem weevil Odoiporus longicollis. The results indicated that the active compounds of essential oils from stems of T. purpurea and I. carnea could be explored as natural repellents for the control of Odoiporus longicollis.

Keywords: Tephrosia purpurea; Ipomoea carnea; essential oils; hexadecanoic acid; repellent activity.

Full Article - PDF 177 kB Available OnLine: 29. 07. 2013. Cited by

J. Serb. Chem. Soc. 80 (4) 475–484 (2015)

UDC *Satureja montana:632.951.000.57:632.954+66.094.3–92:541.459:504.06; JSCS–4731; doi: 10.2298/JSC020714106S; Original scientific paper

Allelopathic effects and insecticidal activity of aqueous extracts of Satureja montana L.

JOVANA ŠUĆUR, ALEKSANDRA POPOVIĆ, MILOŠ PETROVIĆ, GORAN ANAČKOV*, VOJISLAVA BURSIĆ, BILJANA KIPROVSKI and DEJAN PRVULOVIĆ

Faculty of Agriculture, University of Novi Sad, Trg Dositeja Obradovića 8, 21000 Novi Sad, Serbia

*Faculty of Science, University of Novi Sad, Trg Dositeja Obradovića 3, 21000 Novi Sad, Serbia

(Received 2 July, revised 15 October, accepted 28 October 2014)

Extensive use of synthetic insecticides, herbicides and other pesticides has negative effects on the environment and on human and animal health. Therefore, scientists are turning towards natural pesticides, such as active components of plant extracts. The effect of two concentrations (0.1 and 0.2 %) of a Satureja montana L. aqueous extract on the lipid peroxidation process, as well as on the activity of the antioxidant enzymes superoxide dismutase (SOD), guaiacol peroxidase (GPX), pyrogallol peroxidase (PPX) and catalase (CAT) in the leaves and roots of pepper and black nightshade seedlings were examined 24, 72 and 120 h after treatment. The results showed that the higher concentration of S. montana aqueous extract induced lipid peroxidation in black nightshade roots. Furthermore, significant increases of pyrogallol and guaiacol peroxidase were detected in black nightshade leaves treated with 0.2 % of the S. montana aqueous extract. The second aim was to evaluate effectiveness of the aqueous extract as a contact toxicant against whitefly. It was observed that the 0.2% aqueous extract exhibited a toxic effect with 68.33 % mortality after 96 h.

Keywords: allelochemicals; antioxidants; biopesticides.

Full Article - PDF 145 kB Supplementary Material PDF 82 kB Available OnLine: 27. 10. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 485–497 (2015)

UDC 546.41+577.15+547.593.3+547.458.68+547.313.3–36+544.2.004.12:543.57; JSCS–4732; doi: 10.2298/JSC140828118U; Original scientific paper

Physicochemical characterization of zofenopril inclusion complex with 2-hydroxypropyl-b-cyclodextrin

LUCREŢIA UDRESCU*,**, LAURA SBÂRCEA*, ADRIANA FULIAȘ*, IONUŢ LEDEŢI*, TITUS VLASE***, PAUL BARVINSCHI**** and LUDOVIC KURUNCZI*^,**

*Faculty of Pharmacy, University of Medicine and Pharmacy, 300041 Timișoara, Romania

**Institute of Chemistry Timișoara of the Romanian Academy, 300223 Timișoara, Romania

***Research Center for Thermal Analysis in Environmental Problems, West University of Timișoara, 300115 Timișoara, Romania

****Faculty of Physics, West University of Timișoara, 300223 Timișoara, Romania

(Received 28 August, revised 15 November, accepted 24 November 2014)

Zofenopril calcium (ZOF) is one of the newest angiotensin-converting enzyme (ACE) inhibitors, highly lipophilic and with low water solubility. This research investigates the interaction between ZOF and a chemically modified derivative of β-cyclodextrin, 2-hydroxypropyl-β-cyclodextrin (HPBCD), in order to prove the formation of an inclusion complex with an enhanced water solubility profile of ZOF. In this research, for the first time, the physicochemical characterization and the solubility profile of an inclusion complex between ZOF and HPBCD are reported. Different spectroscopic techniques (UV absorption spectrometry, powder X-ray diffraction, attenuated total reflectance Fourier transform IR spectroscopy) were applied in order to prove the formation of the ZOF/HPBCD inclusion complex, both in water and in the solid state, backed by thermal analysis (TGA/DTG/HF). The obtained results confirmed that the physicochemical properties of the ZOF/HPBCD binary system, prepared using the kneading method, are different in comparison to both with the parent substances and the corresponding physical mixture, thus suggesting that an inclusion complex was formed. After the formation of the inclusion complex with HPBCD, the solubility test indicated that the water solubility of ZOF was increased 5-fold.

Key words: Job’s plot; ATR-FTIR; PXRD; thermal analysis; solubility.

Full Article - PDF 252 kB Available OnLine: 24. 11. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 499–508 (2015)

UDC 510.644:539.16:544.112:66–914.4+536.421.4:536.423+532+532.11; JSCS–4733, doi: 10.2298/JSC140716087J; Original scientific paper

QSPR study of supercooled liquid vapour pressures of polybrominated diphenyl ethers using the molecular distance–edge vector index

LONG JIAO*,**, XIAOFEI WANG*, SHAN BING*, ZHIWEI XUE** and HUA LI**

*College of Chemistry and Chemical Engineering, Xi’an Shiyou University, Xi’an 710065, P. R. China

**College of Chemistry and Materials Science, Northwest University, Xi’an 710069, P. R. China

***No. 203 Research Institute of the Nuclear Industry, Xianyang 712000, P. R. China

(Received 17 July, revised 30 August, accepted 1 September 2014)

The quantitative structure property relationship (QSPR) for supercooled liquid vapour pressures (pL) of polybrominated diphenyl ethers (PBDEs) was investigated. The molecular distance–edge vector (MDEV) index was used as the structural descriptor. The quantitative relationship between the MDEV index and log pL was modelled by multivariate linear regression (MLR) and an artificial neural network (ANN). The leave-one-out cross validation and k-fold cross validation were performed to assess the prediction ability of the developed models. For the MLR method, the prediction root mean square relative error (RMSRE) of the leave-one-out cross validation and the k-fold cross validation were 9.95 and 9.05, respectively. For the ANN method, the prediction RMSRE of the leave-one-out cross validation and the k-fold cross validation were 8.75 and 8.31, respectively. It was demonstrated that the established models were practicable for predicting the log pL values of PBDEs. The MDEV index was quantitatively related to the log pL of PBDEs. MLR and linear ANN were practicable for modelling this relationship. Compared with the MLR, the ANN method exhibited slightly higher prediction accuracy. Subsequently, an MLR model, the regression equation of which was log pL = 0.2868M11 – 0.8449M12 – 0.0605, and an ANN model, which was a two-input linear network, were developed. The two models could be used to predict the log pL value of each PBDE.

Keywords: QSPR; PBDEs; supercooled liquid vapour pressures; molecular distance–edge vector index; artificial neural network.

Full Article - PDF 146 kB Supplementary Material PDF 76 kB Available OnLine: 01. 09. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 509–515 (2015)

UDC 547.422:536.7:544.351.3+615.2; JSCS–4734; doi:10.2298/JSC131110036S; Original scientific paper

Thermodynamic solubility of piroxicam in propylene glycol + water mixtures at 298.2–323.2 K – data report and modeling

SHAHLA SOLTANPOUR and ZAHRA BASTAMI

Faculty of Pharmacy, Zanjan University of Medical Sciences, Zanjan 45139, Iran

(Received 10 November 2013, revised 23 March, accepted 24 March 2014)

The solubility of piroxicam (66 data points) in binary mixtures of propylene glycol (PG) + water at six different temperatures ranging from 298.2 to 323.2 K are reported. Three different cosolvency models, i.e., the Yalkowsky, the Jouyban–Acree and a combined version of the Jouyban–Acree model with the van’t Hoff approach, were used for correlating the reported data. All the results of the analyses showed an acceptable range of the error percentages.

Keywords: thermodynamic; solubility; piroxicam; propylene glycol.

Full Article - PDF 118 kB Supplementary Material PDF 42 kB Available OnLine: 24. 03. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 517–528 (2015)

UDC 547.814.5+57–188+547.917:547.917:547.963.3:543.426.1; JSCS–4735; doi: 10.2298/JSC140425075V; Original scientific paper

3-Hydroxyflavone–bovine serum albumin interaction in dextran medium

MARIANA VOICESCU and SORANA IONESCU*

1Romanian Academy, Institute of Physical Chemistry “Ilie Murgulescu”, Splaiul Independentei 202, 060021 Bucharest, Romania

*Department of Physical Chemistry, University of Bucharest, Bd Regina Elisabeta 4–12, Bucharest 030018, Romania

(Received 25 April, revised 18 June, accepted 15 July 2014)

A bioactive flavonol, 3-hydroxyflavone (3-HF), in systems based on dextran 70 (Dx70, an important bio-relevant polysaccharide) and bovine serum albumin (BSA, a carrier protein) was studied by fluorescence and circular dichroism. Changes produced by different concentrations of Dx70 on the fluorescent characteristics of 3-HF and on the excited-state intramolecular proton transfer (ESIPT) process were studied. The influences of 3-HF binding and of Dx70 on the secondary structure of BSA were investigated by circular dichroism spectroscopy. The influence of temperature (30–80 °C range) on the intrinsic tryptophan fluorescence in 3-HF/BSA/Dx70 systems was investigated. The results are discussed with relevance to 3-HF as a sensitive fluorescence probe for exploring flavone–protein interactions in plasma expander media and for its biological evaluation.

Keywords: flavones; proteins; dextran 70; fluorescence spectroscopy; ESIPT.

Full Article - PDF 255 kB Available OnLine: 15. 07. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 529–547 (2015)

UDC 678.674:542.92.000.57:547.473.2+546.284:66.017; JSCS–4736; doi: 10.2298/JSC140924119N; Original scientific paper

Influence of clay organic modifier on the morphology and performance of poly(e-caprolactone)/clay nanocomposites

MARIJA S. NIKOLIĆ, NATAŠA ĐORĐEVIĆ, JELENA ROGAN AND JASNA ĐONLAGIĆ

Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade, Serbia

(Received 24 September, revised 19 November, accepted 20 November 2014)

Two series of poly(e-caprolactone) poly(oxepan-2-one) nanocomposites with different organo-modified clays (1 to 8 wt. %) were prepared by the solution casting method. Organoclays with polar (Cloisite® C30B) and nonpolar (Cloisite® C15A) organic modifiers and with different miscibility with the poly(e-caprolactone) matrix were chosen. Exfoliated and/or intercalated structures of the nanocomposite were obtained using high dilution and ultrasonic treatment for the preparation of the composite. The effects of the surface modification and clay content on the morphology, and mechanical and thermal properties of the nanocomposites were studied. Scanning electron microscopy excluded the formation of microcomposites. The wide-angle X-ray diffraction analysis revealed that the tendency toward exfoliated structures was higher with Cloisite® C30B, which had better miscibility with poly(e-caprolactone) matrix, than with Cloisite® C15A. Differences in the sizes of the spherulites and morphology between two series of the nanocomposites were observed by optical microscopy performed on as-cast films. The enthalpies of fusion and degrees of crystallinity were higher for the nanocomposites than for the neat poly(e-caprolactone) and increased with clay loading in both series, because of the nucleating effect of the clay. The decreased thermal stability of the nanocomposites was ascribed to the thermal instability of the organic modifiers of the clays. The Halpin–Tsai model was used to compare the theoretically predicted values of the Young’s modulus with the ones experimentally obtained in tensile tests.

Keywords: biodegradable; aliphatic polyester; layered silicate; solution casting.

Full Article - PDF 235 kB Supplementary Material PDF 281 kB Available OnLine: 20. 11. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 549–562 (2015)

UDC 552.547+662.61/.62:546.224–31:546.41+66.081:66.094.522.8:66.074.5+519.87; JSCS–4737; doi: 10.2298/JSC140903115T; Original scientific paper

Modeling of the reactions of a calcium-based sorbent with sulfur dioxide

IVAN TOMANOVIĆ, SRĐAN BELOŠEVIĆ, ALEKSANDAR MILIĆEVIĆ and DRAGAN TUCAKOVIĆ*

University of Belgrade, Vinča Institute of Nuclear Sciences, Mike Petrovića Alasa 12–14, P. O. Box 522, 11001 Belgrade, Serbia

*University of Belgrade, Faculty of Mechanical Engineering, Kraljice Marije 16, 11120 Belgrade 35, Serbia

(Received 3 September, revised 6 November, accepted 19 November 2014)

A mathematical model of calcium sorbent reactions for the simulation of sulfur dioxide reduction from pulverized coal combustion flue gasses was developed, implemented within a numerical code and validated against available measurements under controlled conditions. The model attempts to resemble closely the reactions of calcination, sintering and sulfation occurring during the motion of the sorbent particles in the furnace. The sulfation was based on the partially sintered spheres model (PSSM), coupled with simulated particle calcination and sintering. The complex geometry of the particle was taken into account, with the assumption that it consists of spherical grains in contact with each other. Numerical simulations of drop down tube reactors were performed for both CaCO3 and Ca(OH)2 sorbent particles and results were compared with experimental data available from the literature. The model of the sorbent reactions will be further used for simulations of desulfurization reactions in turbulent gas–particle flow under coal combustion conditions.

Keywords: lime; particle; desulfurization; flue gas; model.

Full Article - PDF 225 kB Available OnLine: 19. 11. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 563–574 (2015)

UDC 54–732+66–96+549.623.8:544.723+547.869.2; JSCS–4738; doi: 10.2298/JSC140718116L; Original scientific paper

Microwave and acid-modified talc for the adsorption of Methylene Blue in aqueous solution

SI-FAN LI, SHUANG-CHUN YANG, SHAN-LIN ZHAO, PING LI and JIN-HUI ZHANG

College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, FuShun 113001, China

(Received 18 July, revised 19 November, accepted 21 November 2014)

Batch adsorption experiments for the removal of Methylene Blue from aqueous solutions onto talcum powder were investigated using microwave-assisted and acetic acid-modified talcum powder. In batch adsorption experiments for the removal of Methylene Blue by the new sorbents, the influences of particle size of the talcum powder, the acid concentration, acidification time and temperature, and radiation time and power were investigated. The results showed that the efficiency for the removal of Methylene Blue was up to 83.03 % under the optimum conditions, namely, talcum powder of 10 μm treated with 1.0 M acetic acid at 313 K for 9 h under 600 W microwave radiation for 5 min . The modified talcum powder was characterized by Fourier transform infrared spectroscopy, X-ray diffraction and scanning electron microscopy. The adsorptive capability of the adsorbent was greatly enhanced because of the active groups OH- and broken Si–O- and the cracks produced in the face of talcum powder on modification.

Keywords: talcum powder; microwave; acidification; adsorption; Methylene Blue.

Full Article - PDF 371 kB Available OnLine: 21. 11. 2014. Cited by

J. Serb. Chem. Soc. 80 (2) 575–588 (2015)

UDC 550.4.001.5+553.96:66.017–039.7+631.427(497.11); JSCS–4739; doi: 10.2298/JSC140219040D; Original scientific paper

Preliminary organic geochemical study of lignite from the Smederevsko Pomoravlje field (Kostolac Basin, Serbia) – Reconstruction of geological evolution and potential for rational utilization

NATAŠA ĐOKOVIĆ, DANICA MITROVIĆ, DRAGANA ŽIVOTIĆ*, DARKO ŠPANIĆ**, TAMARA TROSKOT-ČORBIĆ**, OLGA CVETKOVIĆ*** and KSENIJA STOJANOVIĆ****

University of Belgrade, Innovation Center of the Faculty of Chemistry, Studentski trg 12–16, 11000 Belgrade, Serbia

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

**INA-Industrija nafte d.d., Exploration & Production BD, Exploration Sector, E&P Laboratory Department, Lovinčićeva 4, 10002 Zagreb, Croatia

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

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

(Received 19 February, revised 7 April, accepted 9 April 2014)

The study was aimed at determining the origin and geological evolution of lignites from the Smederevsko Pomoravlje field (Kostolac Basin, Serbia). The possibility of a rational utilization of the coal was also considered. For this purpose, numerous organic geochemical analyses were applied to representative lignite samples. The obtained results showed that the coal from the Smederevsko Pomoravlje field is a typical humic coal. The peat-forming vegetation was dominated by gymnosperm plants. The coal-forming plants belonged to the gymnosperm families Taxodiaceae, Cupressaceae, Phyllocladaceae and Pinaceae. Other precursors of organic matter (OM) were microbial biomass, ferns and angiosperms. It was established that peatification occurred in a neutral to slightly acidic, fresh water environment under anoxic to suboxic redox conditions. The maturity of the OM is low, in the phase of intense diagenetic processes. The biomarker compositions and values of the corresponding parameters revealed that the Smederevsko Pomoravlje field, the Drmno field (Kostolac Basin) and the “A” field (Kovin deposit) represent a part of a unique lignite basin. The results of this study suggest possible rational utilization of the Smederevsko Pomoravlje lignites in thermal power plants. This is particularly related to samples from coal seam I. A significant amount of gas could be generated from lignites at higher maturities. Eight samples met the basic assumptions for effective gasification.

Keywords: lignites; Kostolac Basin; organic matter; biomarkers; palaeo-recons¬truction; utilization.

Full Article - PDF 217 kB Supplementary Material PDF 170 kB Available OnLine: 09. 04. 2014. Cited by

J. Serb. Chem. Soc. 80 (4) 589–594 (2015)

UDC 543+061.3(4); JSCS–4739; EuCheMS news

EUCHEMS NEWS

European Analytical Column No. 43

IVO LEITO, WOLFGANG BUCHBERGER* AND PAUL WORSFOLD*

University of Tartu, Institute of Chemistry, Ravila 14a, Tartu, 50411, Estonia, ivo.leito@ut.ee

*Analytische Chemie, Universität Linz, Altenbergerstrasse 69, A-4040 Linz, Austria, Wolfgang.Buchberger@jku.at

**School of Geography, Earth and Environmental Sciences, Plymouth University, Plymouth PL48AA, United Kingdom

Information from the EuCheMS Division of Analytical Chemistry (DAC)

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