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Full-Text Articles in Physical Sciences and Mathematics

Prediction Of Acidity Constants Of Thiazolidine-4-Carboxylic Acid Derivatives Using Ab Initio And Genetic Algorithm-Partial Least Squares, Ali Niazi, Saeed Jameh Bozorghi, Davood Nori Shargh Jan 2006

Prediction Of Acidity Constants Of Thiazolidine-4-Carboxylic Acid Derivatives Using Ab Initio And Genetic Algorithm-Partial Least Squares, Ali Niazi, Saeed Jameh Bozorghi, Davood Nori Shargh

Turkish Journal of Chemistry

A quantitative structure-property relationship study is suggested for the prediction of the acidity constants of some thiazolidine-4-carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors, including electrostatic potentials and local charges at each atom, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies, etc. Modeling of the acidity constant of thiazolidine-4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares algorithm. The subset of descriptors, which resulted in a low prediction error, was selected by genetic algorithm. This model was applied …


Dichloride[1-(2,4,6-Trimethylbenzyl)-3-(Biphenyl-2-Ylmethyl)-Imidazolidin- 2-Ylidine (\Eta^6-Hexamethylbenzene)]Ruthenium, Hakan Arslan, Donald Van Derveer, İsmai̇l Özdemi̇r, Sedat Yaşar, Beki̇r Çeti̇nkaya Jan 2006

Dichloride[1-(2,4,6-Trimethylbenzyl)-3-(Biphenyl-2-Ylmethyl)-Imidazolidin- 2-Ylidine (\Eta^6-Hexamethylbenzene)]Ruthenium, Hakan Arslan, Donald Van Derveer, İsmai̇l Özdemi̇r, Sedat Yaşar, Beki̇r Çeti̇nkaya

Turkish Journal of Chemistry

The single crystal X-ray structure of the imidazolidin ruthenium complex, C_{38}H_{46}N_2Cl_2Ru, was determined. The complex is an orthorhombic space group Pbca with a = 17.3586(32) Å, b = 14.4447(27) Å, c = 27.4325(52) Å, and V = 6878.466(4) Å^3 with Z = 8 for D_{calc} = 1.357 g/cm^3. It exhibits the expected 3-legged piano stool geometry. There is one coordination bond of the ruthenium atom with the electrons of the \eta^6-hexamethylbenzene, 2 symmetrical Ru-Cl bonds, and one Ru-C bond involving the imidazole ring. The coordination around the ruthenium atom is 4-fold, which in this is case is pseudo-tetrahedral.


Cyclic Triterpenoid Saponins From Campanula Lactiflora, Nuretti̇n Yayli, Asu Usta, Ahmet Yaşar, Osman Üçüncü, Canan Güleç, Mustafa Küçükislamoğlu Jan 2006

Cyclic Triterpenoid Saponins From Campanula Lactiflora, Nuretti̇n Yayli, Asu Usta, Ahmet Yaşar, Osman Üçüncü, Canan Güleç, Mustafa Küçükislamoğlu

Turkish Journal of Chemistry

Two cyclic natural compounds, 3\beta-O-[\alpha-L-rhamnopyranosyl- (1 \to 2)-\beta-D-glucopyranosyl]-13\alpha,14\alpha-epoxy-8\alpha,12\beta, 15-trihydroxy-(17E,21E)-17,21-campanuldien-6'(30)-olide, called lactifloroside A, 1, and 3\beta-O-[\beta-D-glucopyranosyl-(1 \to 2)-\beta-D-glucopyranosyl]- 13\alpha,14\alpha-epoxy-8\alpha,12\beta-dihydroxy-(17E,21E)-17,21-campanuldien- 6'(30)-olide, called lactifloroside B, 2, were isolated for the first time from Campanula lactiflora and their structures deduced by high field 1D and 2D 400 MHz NMR, FT-IR, HPLC, GC-MS, (+/-) LC-MS/MS and (+) FAB-MS spectra. The aglycones of the 2 saponins were named 13\alpha,14\alpha-epoxy-3\beta,8\alpha,12\beta,15-tetrahydroxy-(17E,21E)- 17,21-campanuldien-30-oic acid and 13\alpha,14\alpha-epoxy-3\beta,8\alpha, 12\beta-trihydroxy-(17E,21E)-17,21-campanuldien-30-oic acid, and designated as campanuloic acid and 15-deoxycampanuloic acid, respectively.


Synthesis And Anticancer Evaluation Of Some New Unsymmetrical 3,5-Diaryl-4h-1,2,4-Triazole Derivatives, Olcay Beki̇rcan, Bahi̇tti̇n Kahveci̇, Murat Küçük Jan 2006

Synthesis And Anticancer Evaluation Of Some New Unsymmetrical 3,5-Diaryl-4h-1,2,4-Triazole Derivatives, Olcay Beki̇rcan, Bahi̇tti̇n Kahveci̇, Murat Küçük

Turkish Journal of Chemistry

A series of 4-arylidenamino-4H-1,2,4-triazole derivatives (3-11) were synthesized from the treatment of 4-amino-4H-1,2,4-triazoles (2) with certain aldehydes. Compounds 3-11 were reduced with NaBH_4 to afford the corresponding 4-arylmethylenamino-4H-1,2,4-triazoles (12-20). Compounds 1-10 and 12-19 were characterized by elemental analyses and ^1H NMR, ^{13}C NMR, IR and UV spectral data. Compounds 11 and 20 were characterized by ^1H NMR, ^{13}C NMR, IR and mass spectral data. Compounds 14, 16, 17, and 18 were tested for anticancer activities. Compound 17, chosen for its higher anticancer activity in the preliminary tests with the cancer cell lines of MCF7, NCI-H460, and SF-268, exhibited remarkable anticancer …


First- And Second-Derivative Spectrophotometry For Simultaneous Determination Of Copper And Cobalt By 1-(2-Pyridylazo)-2-Naphthol In Tween 80 Micellar Solutions, Habibollah Eskandari, Ali Ghanbari Saghseloo, Mansour Arab Chamjangali Jan 2006

First- And Second-Derivative Spectrophotometry For Simultaneous Determination Of Copper And Cobalt By 1-(2-Pyridylazo)-2-Naphthol In Tween 80 Micellar Solutions, Habibollah Eskandari, Ali Ghanbari Saghseloo, Mansour Arab Chamjangali

Turkish Journal of Chemistry

1-(2-Pyridylazo)-2-naphthol (PAN) has been used for the simultaneous determination of copper and cobalt at trace levels. PAN at pH 1.89 forms red and green complexes with copper and cobalt, respectively, which are soluble in aqueous Tween 80 micellar media and are stable for at least 3 days. Under optimum conditions, calibration graphs were obtained for individual determination of copper and cobalt by zero- and first-derivative spectrophotometry and for simultaneous determination by first- and second-derivative spectrophotometry. Zero-crossing first-derivative spectrophotometry at 555 and 581 nm for cobalt and copper was used for the simultaneous determination, respectively. The second derivative method at 577 …


Composition And Antimicrobial Activities Of Volatile Components Of Minuartia Meyeri, Nuretti̇n Yayli, Canan Güleç, Osman Üçüncü, Ahmet Yaşar, Serdar Ülker, Kami̇l Coşkunçelebi̇, Sali̇h Terzi̇oğlu Jan 2006

Composition And Antimicrobial Activities Of Volatile Components Of Minuartia Meyeri, Nuretti̇n Yayli, Canan Güleç, Osman Üçüncü, Ahmet Yaşar, Serdar Ülker, Kami̇l Coşkunçelebi̇, Sali̇h Terzi̇oğlu

Turkish Journal of Chemistry

The essential oil of air-dried Minuartia meyeri (Boiss.) Bornm. (Caryophyllaceae) was obtained by hydrodistillation in a Clevenger-type apparatus and analyzed by GC-MS. Fifty-two components were identified in the oil. The main components in the essential oil of M. meyeri were nonacosane (6.2%), 6,10,14-trimethyl-2-pentadecanone (5.1%), nonanal (4.6%), and beta-caryophyllene (2.9%). The antimicrobial activity of the isolated essential oil of the plant was also investigated and it showed moderate antibacterial activity against Gram-positive and Gram-negative bacteria, but no antifungal activity was observed against 2 yeast-like fungi.


Structure Of 1-(Thiophen-2-Ylmethyl)-2-(Thiophen-2-Yl)-1h-Benzimidazole, Necmi̇ Dege, Memet Şekerci̇, Süleyman Servi̇, Muharrem Di̇nçer, Ünzi̇le Demi̇rbaş Jan 2006

Structure Of 1-(Thiophen-2-Ylmethyl)-2-(Thiophen-2-Yl)-1h-Benzimidazole, Necmi̇ Dege, Memet Şekerci̇, Süleyman Servi̇, Muharrem Di̇nçer, Ünzi̇le Demi̇rbaş

Turkish Journal of Chemistry

The title compound, C_{16}H_{12}N_2S_2, crystallizes in the monoclinic space group P2_1/n with Z = 4, a = 8.950 (5) Å, b = 9.141 (5) Å, c = 17.429 (5) Å and \beta = 93.638 (5)°. The benzimidazole ring is essentially planar. The crystal structure is stabilized by intermolecular C---H ... N and C---H ... \pi contacts.


Synthesis Of N-Alkylnaphthalenes Via Semicarbazones, Gülay Zengi̇n, John W. Huffman Jan 2006

Synthesis Of N-Alkylnaphthalenes Via Semicarbazones, Gülay Zengi̇n, John W. Huffman

Turkish Journal of Chemistry

A number of 1-n-alkylnaphthalenes were prepared via the respective semicarbazones. The semicarbazones were reduced by modified Wolff-Kishner reductions to give 1-n-alkylnaphthalenes in excellent yields as manageable yellow or orange viscous oils. The semicarbazones were prepared from ketones, which are the addition products of Grignard reagents to nitriles. This study offers an excellent preparative method for the synthesis of 1-n-alkylnaphthalenes from semicarbazones, via a 3-step procedure.


Sesquiterpene Lactones From Centaurea Helenioides Boiss, Nuretti̇n Yayli, Cemaletti̇n Baltaci, Yaşar Gök, Ebru Aydin, Osman Üçüncü Jan 2006

Sesquiterpene Lactones From Centaurea Helenioides Boiss, Nuretti̇n Yayli, Cemaletti̇n Baltaci, Yaşar Gök, Ebru Aydin, Osman Üçüncü

Turkish Journal of Chemistry

Grosheimin (1) and cynaropicrin (3) sesquiterpenes were isolated from the flowers of Centaurea helenioides Boiss., an endemic plant of Turkey. The products are known as they occur in another species, but they were isolated and identified for the first time from C. helenioides Boiss. In order to correlate spectral data of grosheimin, its acetyl derivative, 8\alpha -acetyl grosheimin (2) was also prepared. Their structures were deduced by FT-IR, UV, 1D and 2D NMR, LC MS/MS, GC-mass spectra (EI), optical rotation, and chemical methods.


Synthesis Of Methylthionaphthalene Derivatives, Ayşegül Öncü, Nurgün Sakarya Büyükkidan, Bülent Büyükkidan, Osman Çakmak Jan 2006

Synthesis Of Methylthionaphthalene Derivatives, Ayşegül Öncü, Nurgün Sakarya Büyükkidan, Bülent Büyükkidan, Osman Çakmak

Turkish Journal of Chemistry

No abstract provided.


Investigation Of The Cation Complexation By Macrocyclic Ethers Using ^{13}C Nmr Spin--Lattice Dipolar Relaxation Time Measurements, Çakil Erk, Matthias Heydenreich, Erich Kleinpeter Jan 2006

Investigation Of The Cation Complexation By Macrocyclic Ethers Using ^{13}C Nmr Spin--Lattice Dipolar Relaxation Time Measurements, Çakil Erk, Matthias Heydenreich, Erich Kleinpeter

Turkish Journal of Chemistry

The binding constants (K_a) of [18]crown-6 ether with Na^+ , K^+, and Ba^{2+} thiocyanates were determined by ^{13}C{^1H} NMR spin--lattice dipolar relaxation time measurements. The observed relaxation times (T_{obs}) for ^{13}C nuclei are dependent upon the relaxation times of the complexed (T_{1a}) and free crown ether (T_{1f}), and were measured in [D4]methanol using inversion--recovery measurements in the extreme narrowing limit (75 MHz). The observed ^{13}C relaxation times of the metal complexes were found to be smaller than those of the cation-free macrocyclic ether due to reduced internal flexibility of the macrocycles in the complexes. The relationship 1/T_{obs} = P_a/T_{1a} + …


Solvent-Free Preparation Of Primary Carbamates, Ali Reza Modarresi-Alam, Mohsen Rostamizadeh, Parisa Najafi Jan 2006

Solvent-Free Preparation Of Primary Carbamates, Ali Reza Modarresi-Alam, Mohsen Rostamizadeh, Parisa Najafi

Turkish Journal of Chemistry

Herein, we describe a simple and efficient method for the conversion of compounds containing a hydroxyl group to primary carbamates at room temperature with excellent yield and purity, and without any epimerization, in the absence of solvent.


Cumene Cracking On Modified Mesoporous Material Type Mcm-41, Ahmed Belhakem, Abdelkader Bengueddach Jan 2006

Cumene Cracking On Modified Mesoporous Material Type Mcm-41, Ahmed Belhakem, Abdelkader Bengueddach

Turkish Journal of Chemistry

The effect of ionic exchange degree of H(X)-AlMCM-41 materials, the method of its exchange and its grain form were investigated for mesoporous catalytic activity in the cumene cracking reaction. Benzene, propylene and xylene derivatives are the main products of this reaction. Olefins like butene and pentene appeared as the products of secondary reactions. No saturated hydrocarbons, which are typical products of secondary reactions obtained with HNaY zeolites, were formed, except for traces of butane. Generally the exchanged H(X)-AlMCM-41 materials by the substitution of Na^+ by NH_4^+ are more active than those exchanged directly with acid solution (substitution of Na^+ by …


Synthesis And Spectroscopic Characterization Of Biologically Active Triarylantimony(V) Carboxylates Containing Germanium, Muhammad Kaleem Khosa, Muhammad Mazhar, Saqib Ali, Khadija Shahid, Farnaz Malik Jan 2006

Synthesis And Spectroscopic Characterization Of Biologically Active Triarylantimony(V) Carboxylates Containing Germanium, Muhammad Kaleem Khosa, Muhammad Mazhar, Saqib Ali, Khadija Shahid, Farnaz Malik

Turkish Journal of Chemistry

A new series of bimetallic (Ge and Sb) compounds (1-7) was synthesized and characterized by elemental analyses, FT-IR, multinuclear NMR (^1H, ^{13}C) spectroscopy and mass spectrometry. These techniques not only confirmed the formation of the compounds, but also revealed their trigonal bipyramidal geometry around antimony(V). Selected compounds were screened against different pathogens and showed promising antibacterial and antifungal activities.


Antioxidant Activities Of The Extracts And Components Of Teucrium Orientale L. Var. Orientale, Ahmet Çakir, Ahmet Mavi̇, Cavi̇t Kazaz, Ali̇ Yildirim, Ömer İrfan Küfrevi̇oğlu Jan 2006

Antioxidant Activities Of The Extracts And Components Of Teucrium Orientale L. Var. Orientale, Ahmet Çakir, Ahmet Mavi̇, Cavi̇t Kazaz, Ali̇ Yildirim, Ömer İrfan Küfrevi̇oğlu

Turkish Journal of Chemistry

The effects of the developing stages of Teucrium orientale L. var. orientale on the antioxidant and DPPH radical scavenging activities of the extracts obtained with different organic solvents were investigated. The aerial parts of the plant samples were collected at the budding, flowering and vegetative stages and then the plant samples were extracted separately with petroleum ether, chloroform, acetone and methanol. The antioxidant activities of the extracts were evaluated using 2 different tests: the thiocyanate method and scavenging of the 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical. The acetone and methanol extracts of all of the harvesting stages and chloroform extracts of the budding …


Performance Comparison Between Monolithic C18 And Conventional C18 Particle-Packed Columns In The Liquid Chromatographic Determination Of Propranolol Hcl, Sami El Deeb, Hermann Watzig Jan 2006

Performance Comparison Between Monolithic C18 And Conventional C18 Particle-Packed Columns In The Liquid Chromatographic Determination Of Propranolol Hcl, Sami El Deeb, Hermann Watzig

Turkish Journal of Chemistry

Monolithic and conventional particle-packed columns were applied for the determination of propranolol hydrochloride in the presence of its 2 main degradation products, 3-(1-naphthyloxy)-propane-1,2- diol and 4-isopropyl-1,7-bis-(1-naphthyloxy)-4-azaheptane-2,6-diol. The separations were investigated on monolithic columns at flow rates from 1 to 9 mL/min. Fast and efficient separation was obtained by monolithic columns. The analysis time was decreased by about 5-fold on monolithic columns at a flow rate of 4 mL/min, while maintaining sufficient resolution between propranolol and its degradation products. The method was validated using a set of 3 monolithic columns and compared to a conventional (Superspher) C18 column. The precision for …


Synthesis, Crystal Structure And Antifungal/Antibacterial Activity Of Some Novel Highly Functionalized Benzoylaminocarbothioyl Pyrrolidines, H. Ali̇ Döndaş, Yahya Nural, Ni̇zami̇ Duran, Colin Kilner Jan 2006

Synthesis, Crystal Structure And Antifungal/Antibacterial Activity Of Some Novel Highly Functionalized Benzoylaminocarbothioyl Pyrrolidines, H. Ali̇ Döndaş, Yahya Nural, Ni̇zami̇ Duran, Colin Kilner

Turkish Journal of Chemistry

A series of novel highly functionalized benzoylaminocarbothioyl pyrrolidines were prepared from benzoylisothiocyanate and substituted pyrrolidines in excellent yield. The crystal structure of the novel 1-benzoylaminocarbothioyl-5-(naphthyl)- pyrrolidine-2,3,4-tricarboxylicacid trimethyl ester (3a) was determined by X-ray crystal structure analysis. The synthesized compounds were characterized and screened for their in vitro antibacterial and antifungal activities and toxicity. The prepared compounds were tested against the standard strains: Escherichia coli (ATCC 25922), Enterobacter cloacae (ATCC 13047), Enterococcus faecalis (ATCC 29212), Pseudomonas aeruginosa (ATCC 27853), Staphylococcus aureus (ATCC 29213) and Staphylococcus epidermidis (ATCC 12228) and the yeasts Candida albicans (ATCC 90028), Candida krusei (ATCC 6258), Candida parapsilosis …


The Effect Of Acid Digestion On The Recoveries Of Trace Elements: Recommended Policies For The Elimination Of Losses, Güler Somer, Arzu Nakişci Ünlü Jan 2006

The Effect Of Acid Digestion On The Recoveries Of Trace Elements: Recommended Policies For The Elimination Of Losses, Güler Somer, Arzu Nakişci Ünlü

Turkish Journal of Chemistry

Digestion of biological materials is very important for trace element determinations. Although the microwave technique is mostly used, there are cases where open wet digestion is needed. This study examined the optimum conditions for the minimum loss of trace elements during the wet digestion of a sample. The effect of acid composition and digestion time for about 21 ions was investigated. The trace element concentrations were determined by differential pulse polarography. For the digestion procedure, a HClO_4-HNO_3 mixture was used for the first step and, after its evaporation (60 min), HCl was added as the second step, since in some …