Sema Öztürk Yıldırım

Trace Elements and Heavy Metals in Hair of Stage III Breast Cancer Patients

This prospective study was designed to compare the hair levels of 36 elements in 52 patients with stage III breast cancer to those of an equal number of healthy individuals. Principal component and cluster analysis were used for source of identification and apportionment of heavy metals and trace elements in these two groups. A higher average level of iron was found in samples from patients while controls had higher levels of calcium. Both patients and controls had elevated levels of tin, magnesium, zinc, and sodium. Almost all element values in cancer patients showed higher dispersion and asymmetry than in healthy controls. Between the two groups, there were statistically significant differences in the concentrations of silver, arsenic, gold, boron, barium, beryllium, calcium, cadmium, cerium, cobalt, cesium, gadolinium, manganese, nickel, lead, antimony, scandium, selenium, and zinc (p < 0.05). Strong positive correlations were found between lead and gold (r = 0.785) in the cancer group and between palladium and cobalt (r = 0.945) in the healthy individuals. Our results show that there are distinct patterns of heavy metals and trace elements in the hair of breast cancer patients in comparison to healthy controls. These results could be of significance in the diagnosis of breast cancer.

3‐(2‐Furyl)‐4‐(4‐methoxy­phenyl)‐1H‐1,2,4‐triazole‐5(4H)‐thione

The title compound, C13H11N3O2S, has a non-planar conformation. The dihedral angles are 3.41 (8) and 85.48 (7)° between the triazole ring plane and the furan and benzene ring planes, respectively. The crystal packing is stabilized by several hydrogen bonds.

Dichlorido(4,4′-di-tert-butyl-2,2′-bi­pyridine-κ2N,N′)gold(III) tetrachlorido­aurate(III) acetonitrile solvate

In the title compound, [AuCl2(C9H12N)2][AuCl4]·C2H3N, there is a mirror plane passing through Au and the central C—C bond of the bipyridyl ligand in the cation, and through Au and two Cl atoms of the anion. A cis-AuCl2N2 square-planar geometry for the cation and a square-planar AuCl4 geometry for the anion result. The two C atoms and the N atom of the acetonitrile molecule all have m site symmetries. In the crystal structure, weak C—H⋯Cl interactions may help to establish the packing.

Rubidium(I) monensinate dihydrate

In the title complex, [Rb(C36H61O11)]·2H2O, the Rb+ cation is coordinated by seven O atoms of monensin. Rb—O distances range from 2.7870 (17) to 3.1429 (17) Å. Both O atoms of the carboxylate group are involved in the coordination of Rb. The structure displays inter- and intramolecular O—H⋯O and C—H⋯O hydrogen-bonding interactions.

2-[3-(2-Pyrid­yl)pyrazin-2-yl]pyridinium tetra­chloridoaurate(III)

In the anion of the title compound, (C14H11N4)[AuCl4], the AuIII atom has an almost perfect square-planar coordination. In the crystal structure, an intramolecular N—H⋯N and intermolecular C—H⋯Cl hydrogen bonds are observed. In addition, there is also a ring–metal interaction between the pyrazine ring and the AuIII atom; the distance between the centroid of the pyrazine ring and the AuIII atom is 3.628 (2) Å.

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin-1-ium tetra-chloridoaurate(III).

Both the cation and anion of the title compound, (C(26)H(21)N(2))[AuCl(4)], are disposed about a plane of mirror symmetry. The 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinium ring is oriented at a dihedral angle of 44.2 (1)° with respect to the planar phenyl ring systems. The Au(III) atom has a square-planar environment defined by four Cl atoms. The crystal structure is stabilized by C-H⋯π and Au⋯π ring-metal (3.551 Å) inter-actions. In the crystal structure, the mol-ecules stack along the c axis via N-H⋯N hydrogen-bond inter-actions.

4-[(2-Hydr­oxy-1-naphth­yl)methyl­idene­amino]benzoic acid

The molecule of the title compound, C18H13NO3, is almost planar, the dihedral angle between the naphthalene and benzene ring systems being 4.04 (6)°. The molecular conformation and packing are stabilized by intramolecular O—H⋯N and intermolecular O—H⋯O and C—H⋯O interactions.

trans-rac-[1-Oxo-2-phenethyl-3-(2-thien-yl)-1,2,3,4-tetra-hydro-isoquinolin-4-yl]methyl 4-methyl-benzene-sulfonate.

The title compound, C29H27NO4S2, was synthesized by reaction of trans-rac-4-(hydroxymethyl)-2-phenethyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one and 4-methylbenzene-1-sulfonyl chloride in the presence of Et3N in CH2Cl2. The relative orientations of the benzene ring (A) of the 3,4-dihydroisoquinolinone ring system, the thiophene ring (B), the benzene ring (C) of the methylbenzene group and the phenyl ring (D) result in the following dihedral angles: A/B = 80.91 (16), A/C = 22.79 (18), A/D = 9.9 (2), B/C = 80.73 (19), B/D = 88.9 (2) and C/D = 29.9 (2)°. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions.

3‐Benzyl‐4‐(4‐methyl­phenyl)‐1H‐1,2,4‐triazole‐5(4H)‐thione

The title compound, C16H15N3S, displays the usual geometrical parameters of 1,2,4-triazole derivatives. The occurrence of N—H⋯S hydrogen-bonding interactions results in the formation of dimers.

N-(1,3-Thia-zol-2-yl)-N'-[(thio-phen-2-yl)carbon-yl]thio-urea hemihydrate.

The title compound, C9H7N3OS3·0.5H2O, crystallizes with two independent but similar molecules in the asymmetric unit, both of which are linked by a water molecule through O—H⋯N hydrogen bonds. In addition the water O atom is further linked by N—H⋯O hydrogen bonds to two additional main molecules, forming a tetrameric unit. These tetrameric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thiophenoyl and thiazolyl rings is 12.15 (10) and 21.69 (11)° in molecules A and B, respectively. The central thiourea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thiophenoyl and thiazolyl rings in molecule A and 8.41 (10) and 13.43 (12)° in molecule B. Each molecule adopts a trans–cis geometry with respect to the position of thiophenoyl and thiazole groups relative to the S atom across the thiourea C—N bonds. This geometry is stabilized by intramolecular N—H⋯O hydrogen bonds.