J. Serb. Chem. Soc. 67 (10)639–646(2002) UDC 546.27:549.261+546.76 JSCS-2985 Short communication SHORT COMMUNICATION Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L. DRAGAN T. VELI^KOVI]1, NOVICA V. RANDJELOVI]2, MIHAILO S. RISTI]3, ANDRIJA A. sMELCEROVI]4 and ANA S. VELI^KOVI]5 1AD “Zdravlje” Pharmaceutical and Chemical Industry, Vlajkova St. 199, YU-16000 Leskovac, 2Faculty of Technology, Bulevar Oslobodjenja St. 124, YU-16000 Leskovac, 3Institue for Medicinal Plants Research “Dr. Josif Pan~ic”, Tadeusa Koscuska St. 1, YU-11000 Belgrade, 4Chemical Industry “Nevena”, Djordja Stamenkovica St. bb., YU-16000 Leskovac, and 5Medical Center “Mosa Pijade”, Department of General Practice, Rade Kon~ara St. 2, YU-16000 Leskovac, Yugoslavia (Received 1 April, revised 27 May 2002) Abstract: In this paper the chemical composition and antimicrobial action of the extracts from the flower, leaf and stem of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L. were investigated. The investigated extracts mostly contain monoterpenes to a high degree, except the flower extract of S. pratensis and the leaf extract of S. glutinosa where sesquiterpenes were found in great amounts. Diterpenes were found only in the extracts of S. aethiopis. All these extracts contained 1,8-cineole (to the highest degree (19.1 %) in the stem extract of S. glutinosa) and beta-caryophyllene (to the highest degree (7.0 %) in the flower extract of S. pratensis). The antimicrobial activities of the extracts were determined by the diffusion and dilution method. Keywords: Salvia pratensis, Salvia glutinosa, Salvia aethiopis, Lamiaceae, extracts, chemical composition, antimicrobial activity. REFERENCES 1. I. C. Hedge, in Advances in Labiate Science, R. Harley, T. Reynolds Eds., Roy. Bot. Gard., Kew, UK 1992, p. 85. 2. N. Diklic, in Flora of Serbia VI, M. Josifovic Ed., SANU Belgrade 1974, p. 432 3. F. I. Jean, G. J. Collin, D. Lord, Perfum. Flavor. 17 (1992) 35 4. E. Reverchon, R. Taddeo, G. Della Porta, J. Supercrit. Fluids 8 (1995) 302 5. R. Länger, Ch. Mechtler, J. Jurenitsch, Phytochem. Anal. 7 (1996) 289 6. Y. Lu, L. Y. Foo, Phytochemistry 51 (1999) 91 7. M. Wang, H. Kikuzaki, N. Zhu, S. Sang, N. Nakatani, C. Tang Ho, J. Agric. 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Pharmacopeia Jugoslavica IV, Edition of the Federal Institute for Health Care, Belgrade 1991 17. R. P. Adams, Identification of Essential Oils by Ion Trap Mass Spectroscopy, Academic Press, San Diego 1989 18. R. P. Adams, Identification of Essential Oil Components by GC/MS, Allured Publ. Corp., Carol Stream, Illinois 1995. 19. Anonymous, Draft International Standard ISO/DIS 11024-1.2/2.2, Esential oils – General guidance on chromatographic profiles, International Organization for Standardization, Geneva 1997 20. D. Veli~kovic, M. Ristic, N. Randjelovic, V. Stamenkovic, Lek. Sirov. 47 (1998) 75 21. D. Veli~kovic, N. Randjelovic, R. Danilovic, Lek. Sirov. 47 (1998) 161. J. Serb. Chem. Soc. 67 (10)647–651(2002) UDC 54-12+539.2+512.546.1 JSCS-2986 Original scientific paper Upgrading the Wiener index EDUARDO A. CASTRO,a IVAN GUTMAN,b DAMIAN MARINOa and PABLO PERUZZOa aCEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C. C. 962, La Plata 1900, Argentina and bFaculty of Science, University of Kragujevac, P. O. Box 60, YU34000 Kragujevac, Yugoslavia (Received 18 June 2002) Abstract: The Wiener index W is the oldest molecular-graph-based structure-descriptor. It is defined as the sum of the distances of all pairs of vertices of the molecular graph G, where the distance is the number of edges in the shortest path connecting the respective vertices, and where G is the hydrogen-depleted molecular graph. This seemingly very simple topological index could be "upgraded" (a) by using as the distance the sum of the bond lengths along the shortest path, or (b) by using the Euclidean distance between the respective pairs of atoms. Each of these "upgraded" Wiener indices could be computed either (a) for the hydrogen-depleted or (b) for the hydrogen-filled molecular graph. We provide examples showing that none of the modifications (aa), (ab), (ba), (bb) yields better results than the ordinary Wiener index, and that there is a very good linear correlation between W and its "upgraded" variants. Keywords: Wiener index, topological index, 3D-structure descriptors, chemical graph theory, QSPR, QSAR. REFERENCES 1. H. Wiener, J. Am. Chem. Soc. 69 (1947) 17 2. R. Todeschini, V. Consonni, Handbook of Molecular Descriptors, Wiley-VCH, Weinheim 2000 3. D. E. Needham, I. C. Wei, P. G. Seybold, J. Am. Chem. Soc. 110 (1988) 4186 4. I. Gutman, J. H. Potgieter, J. Serb. Chem. Soc. 62 (1997) 185 5. G. Rücker, C. Rücker, J. Chem. Inf. Comput. Sci. 39 (1999) 788 6. A. A. Dobryinin, R. Entringer, I. Gutman, Acta Appl. Math. 66 (2001) 211 7. A. A. Dobrynin, I. Gutman, S. Klav`ar, P. zigert, Acta Appl. Math., 72 (2002)247 8. I. Gutman, T. Körtvélyesi, Z. Naturforsch. 50a (1995) 669 9. I. Gutman, J. H. Potgieter, South Afr. J. Sci. 92 (1996) 47 10. P. V. Khadikar, S. 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Soc. 67(10)653–659(2002) UDC 546.663+542.913+66.061 JSCS-2987 Original scientific paper Extraction of Tb(III) with N,N,N’,N’-tetrabutylmalonamide SUN GUOXIN1*, CUI YU2, JIANG RUNTIAN1, XU RONGQI1 and SUN SIXIU3 1Institute of Chemistry and Environmental Engineering, Jinan University, Jinan, 250022, P. R. China, 2Institute of Chemical Engineering, Jinan University, Jinan, 250022, P. R. China, and 3Institute of Chemistry, Shandong University, Jinan, 250100, P. R. China (Received 15 April, revised 25 June 2002) Abstract: The study on the extraction and separation of rare earths with new extractants is important in rare earth hydrometallurgy and nuclear fuel reprocessing. In this work, a new synthesis method of N,N,N’,N’tetrabutylmalonamide (TBMA) is described with a yield higher than 80 %. The extraction behavior of TBMA employing n-hexane-20 % n-octanol, benzene and toluene as diluents toward Tb(III) was investigated. The effect of the concentrations of nitric acid, lithium nitrate and extractant as well as the temperature on the extraction distribution ratio was studied in different diluents. The stoichiometry of the extracted species of Tb(III) conforms to Tb(NO3)3·3TBMA. An attempt was made to determine the structure of the extracted species from IR and mol conductance data. Keywords: synthesis, N,N,N’,N’-tetrabutylmalonamide, extraction, Tb(III), diluent, structure. REFERENCES 1. G.Sun, J.Han, B. Bao, S. Sun, Radiochim. Acta 83 (1998) 27 2. M. Weiql, A. Geist, K. Gompper, J. Kim, Solv. Extr. Ion Exch. 19 (2001) 215 3. G. Tian, Y. Zhu, J. Xu, Solv. Extr. Ion Exch. 19 (2001) 993 4. G. Thiollet, C. Musikas, Solv. Extr. Ion Exch. 7 (1989) 813 5. M. C. Charbonnel, C. Musikas, Solv. Extr. Ion Exch. 6 (1988) 461 6. C. Atlans, I. Donalde, J. Inorg. Nucl. Chem. 41 (1981) 1383 7. J. Wu, Recent Technology and Application of FT-IR Spectra, Science and Technoloy Publishing House, Beijing, 1994 8. W. J. Geary, Coord. Chem. Rev. 7 (1971) 81 9. Ch. Huang, Rare Earth Coordination Chemistry, Science Publishing House, Beijing, 1997 10. P. Byers, M. Drew, M. Hudson, N. Isaacs, C. Madic, Polyhedron 13 (1994) 349 11. Y. Sh. Wang, G. X. Sun, J. Radioanal. Nucl. Chem. (Lett.) 224 (1997) 151. J. Serb. Chem. Soc. 67(10)661–667(2002) UDC 547.56+547.632.5:543.23 JSCS-2988 Original scientific paper A kinetic method for the determination of phenol SNEzANA S. MITI] and VALENTINA V. ZIVANOVI] Faculty of Sciences and Mathematics, Department of Chemistry, University of Nis, Visegradska 33, P.O.Box 224, YU-18000 Nis, Yugoslavia (Received 21 March 2001, Revised 1 July 2002) Abstract: A kinetic method for the determination of phenol is proposed. The method is based on the inhibiting effect of phenol on the Mn(II) catalysis of the oxidation of malachite green with potassium periodate. The reaction rate was followed spectrophotometrically at 615 nm. Kinetic expression for the reaction in the presence and absence of phenol are postulated. The optimal experimental conditions for the determination of phenol were established and phenol was determined in concentrations from 30.0 to 188.0 ng/cm3 with a relative standard deviation of 5.5 %. The lower detecton limit is 7.8 ng/cm3. The effects of certain foreign ions upon the reaction rate were determined for the assessment of the selectivity of the method. The method was applied for the determination of phenol in tap and river water. Keywords: phenol kinetic determination, malachite green oxidation, potassium periodate. REFERENCES 1. Standard Methods for the Examination of Water and Wastewater, XVI th ed, American Public Health Association, Washington, DC 1985, p. 556 2. M. Katz, Measurement of Air Pollutants, Geneva (World Health Organization), 1969, p. 87 3. D. Price, P. J. Worsfold, C. F. C. Mantovera, Anal. Chim. Acta 298 (1994) 121 4. T. Fukasawa, M.Iwatsuki, S. Kawakubo, M. 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Soc. 67(10)669–676(2002) UDC 546.72+543.48:556 JSCS-2989 Original scientific paper Spectrophotometric determination of trace iron(III) in natural water after its preconcentration with a chelating resin ZENOVIA MOLDOVANa and ELEONORA-ANA NEAGUb aUniversity of Bucharest, Faculty of Chemistry, Department of Analytical Chemistry, 4-12 Regina Elisabeta Blvd., 703461-Bucharest, Romania and bInstitute of Rare and Nonferrous Metals, 102 Biruintei Blvd., Bucharest, Romania (Received 2 February, revised 17 May 2002) Abstract: A method for the determination of Fe(III) at trace levels is described. Thus, prior to the spectrophotometric determination, a preconcentration of the trace amounts of iron(III) using a chelate forming resin is proposed. A strong base anion-exchange resin (Dowex 2X4) loaded with Ferron (7-iodo-8hydroxyquinoline-5-sulphonic acid) was used for Fe(III) preconcentration, at pH 2.2. After desorption with 5 % ascorbic acid in 0.5 M HCl, the analyte (converted from Fe(III) to Fe(II) was determined spectrophotometrically at 510 nm as Fe(II)-o-phenanthroline complex. The accuracy of the proposed method was verified by comparing the obtained results with those obtained using AAS with the standard addition method. The sensitivity of the spectrophotometric method (after preconcentration) was 0.01 mg Fe(III)/ml. The recovery for iron(III) at the 7 mg/l level was 97 %. Keywords: iron(III), Ferron, chelating resin, preconcentration, spectrophotometric determination. REFERENCES 1. M. Torre, M. L. Marina, Crit. Rew. Anal. Chem. 24 (1994) 327 2. G. M. Varshal, T. K. Velyukhonova, V. I. Pavlutskaya, N. P. Starshinova, A. A. Formanovsky, I. F. Seregina, A. M. Shilnikov, G. I. Tsysin, Yu. A. Zolotov, J. Environ. Anal. Chem. 57(1994) 107 3. D. Atanasova, V. Stefanova, E. Russeva, Talanta 45 (1998) 857 4. K. Tagami, S. Uchida, Anal. Chim. Aca 405 (2000) 227 5. Y. Bakiricioglu, G. 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Neagu, P. Capotä, Rev. Roum. Chim. accepted for publication. 19. D. W. Margerum, C. V. Banks, Anal. Chem. 26 (1954) 200. J. Serb. Chem. Soc. 67(10)677–684(2002) UDC 546.562+547.57:543 JSCS-2990 Original scientific paper Cu(II) complexes with a pendant octaazamacrocycle and m-bonded aromatic carboxylates GORDANA VU^KOVI],1# MIRJANA ANTONIJEVI]2 and DEJAN POLETI3 1Faculty of Chemistry, University of Belgrade, P. O. Box 158, YU-11001 Belgrade, 2High School for Chemistry and Technology, YU-15000 Sabac and 3Department of General and Inorganic Chemistry, Faculty of Technology and Metallurgy, Karnegijeva, 4, YU-11000 Belgrade, Yugoslavia (Received 20 March 2002) Abstract: Three new cationic mixed-ligand Cu(II) complexes with N,N’,N’’,N’’’-tetrakis(2-pyridylmethyl)1,4,8,11-tetraazacyclotetradecane (tpmc) and bridging aromatic mono- or dicarboxylate ligands were prepared. Elemental analysis, conductometric and magnetic measurements, as well as electronic and IR spectroscopy were employed for their characteriization. It is proposed that the complexes sCu2(C6H5COO)tpmc](CIO4)3MeOH and sCu2(Hpht)tpmc](CIO4). 3H2O (H2pht = phthalic acid) are binuclear with m-coordination of the carboxylate monoanions. The third complex, sCu4ipht(tpmc)2](CIO4)6NaClO42MeCN (H2ipht = isophthalic acid) is one of the rare tetranuclear Cu(II)tpmc complexes with an aromatic dicarboxylate ion bridging two Cu2tpmc units. This was also confirmed by preliminary results of the determination of the crystal structure. Keywords: copper(II) complexes, octaazamacrocycle, benzoate, phthalate, isophthalate. REFERENCES 1. E. G. Bakalbassis, A. P. Bozopoulos, J. Mrozinski, P. J. Rentzeperis, C. A. Tsipis, Inorg. Chem. 27 (1988) 529 2. E. G. Bakalbassis, J. Mrozinski, C. A. Tsipis, Inorg. Chem. 25 (1986) 3684 3. E. G. Bakalbassis, J. Mrozinski, C. A. Tsipis, Inorg. Chem. 24 (1985) 4231 4. S. K. 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Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B, 5th Ed, Willey, New York, 1997, pp. 23–26, 59–62, 83, 271–272 25. G. B. Deacon, R. J. Philips, Coord. Chem. Rev. 33 (1980) 227 26. F. A. Cotton, G. Wilkinson, Advanced Inorganic Chemistry, 5th Ed., Wiley, 1988, pp. 766–774 27. K. Peter, C. Vollhardt, N. E. Schore, Organska hemija, Hajdigraf, Beograd, 1994, pp. 606–607, 726– 727 (in Serbian). J. Serb. Chem. Soc. 67(10)685–696(2002) UDC 546.663+542.913+66.061 JSCS-2991 Original scientific paper Study of the ability of self-assembled N-vinylcarbazole monolayers to protect copper against corrosion CHUN-TAO WANG,1 SHEN-HAO CHEN,1,2 HOU-YI MA,1 LAN HUA1 and NAI-XING WANG1 1Department of Chemistry, Shandong University, Jinan 250100, P. R. China and 2State Key Laboratory for Corrosion and Protection, Shenyang 110015, P. R. China (Received 17 January, revised 28 June 2002) Abstract: N-Vinylcarbazole (NVC) monolayers were self-assembled on copper surfaces. The electrochemical properties of the copper surfaces modified by NVC self-assembled monolayers (SAMs) were investigated using polarization and electrochemical impedance spectroscopic (EIS) methods. The polarization measurements indicated that the NVC SAMs could reduce the rates of the anodic and cathodic reaction on the surface of copper electrodes in 0.5 mol dm-3 NaCl solution. The EIS results showed the NVC formed a closely packed film that was able to inhibit copper corrosion. X-Ray photoelectron spectroscopy (XPS) analysis of the copper samples and atomic adsorption analysis of the solution showed that the copper surfaces were covered by NVC SAMs, and the adsorption of NVC on the copper surfaces was accompanied with dissolution of Cu into the solution. Keywords: self-assembled monolayers, N-vinylcarbazole, copper, EIS, XPS. REFERENCES 1. A. Ulman, Chem. Rev. 96 (1996) 1533 2. J. D. Swalen, D. L. Allara, D. L. Allara, J. D. Andrade, E. A. Chandross, S. Garoff, J. Israelachvili, T. 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Box 522, YU-11000 Belgrade, Yugoslavia (Received 23 August 2000, revised 15 June 2002) Abstract: The effect of boron, in the amounts of 0.26, 0.39, and 0.59 wt.%, on the volume fraction and structure of carbides in Cr white irons was examined. It was demonstrated that the addition of boron can change the microstructural characteristics of white iron containing about 13 wt.% Cr. With increasing boron content, the volume fractions of M3C carbide increase, but the volume fracton of M7C3 carbide remains unchanged. The addition of boron tends to produce hard borides and/or borocarbides. It also prevents the formation of pearlite, which results in alloys possessing good wear resistance. Keywords: chromium white iron, boron, carbides, borocarbide. REFERENCES 1. K. A. Zum Gahr, Z. Metallkde. 68 (1977) 783 2. I. R. Sare, Met. Tech. 6 (1979) 412 3. L. Quing-Chun et al., Conference Proceedings, Cast Iron IV, Materials Research Society, (1990) p. 187 4. J. T. H. 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