Meth­yl(phen­yl)phosphinic acid

The crystal structure of the title compound, C7H9O2P, displays O—H⋯O hydrogen bonding , which links individual mol­ecules related via the c-glide plane and translational symmetry along the crystallographic b-axis direction into continuous chains

An experimental and theoretical study of transient negative ions in Mg, Zn, Cd and Hg

A range of experimental and theoretical techniques have been applied to the study of transient negative ions (resonances) formed in electron scattering from the Group II metals Mg, Zn, Cd, and Hg at incident electron energies below the first ionization potential. A wealth of resonance structures have been observed and from the experimental observations and theoretical information, classifications are proposed for some of these negative ion states

Therapeutic properties, SOD and catecholase mimetic activities of novel ternary copper(II) complexes of the anti-inflammatory drug Fenoprofen with imidazole and caffeine

The copper(II) ternary complexes of the non-steroidal anti-inflammatory drug Fenoprofen (Hfen) and the biologically relevant molecules imidazole (im) and caffeine (caf) as auxiliary ligands were investigated as novel anti-inflammatory agents. The new copper(II) complexes with formula [Cu(fen) 2(im) 2] (1) and Cu 2(fen) 4(caf) 2 (2) were synthesized from the dinuclear complex [Cu 2(fen) 4(dmf) 2] and characterized by IR, UV-Vis, EPR spectral and elemental analysis. The molecular structure of complex 1 was determined by X-ray crystallography. Both complexes 1 and 2 present enhanced and prolongued anti-inflammatory properties against the parent drug calcium Fenoprofenate, Ca(fen) 2·2H 2O, with a better performance for complex 1. Ternary complexes are potential models for several mono and poly-nuclear metal enzymes. The measured superoxide dismutase (SOD) mimetic activities of the complexes indicated a higher SOD mimic activity for complex 2 (IC 50 of 0.24 μM) than complex 1 (IC 50 of 0.70 μM), and also than the native enzyme evaluated by the same method (IC 50 of 0.480 μM). The catecholase activity of the complexes toward the aerobic oxidation of 3,5-di-tert-butylcatechol (dtbc) onto 3,5-di-tert-butylquinone (dtbq) showed that both complexes have moderate catalytic oxidase activity.Fil: Agotegaray, Mariela Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Dennehy, Mariana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Boeris, Mónica Alejandra. Universidad Nacional de La Pampa. Facultad de Ciencias Veterinarias; ArgentinaFil: Grela, Maria Alejandra. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; ArgentinaFil: Burrow, Robert A.. Universidade Federal de Santa Maria; BrasilFil: Quinzani, Oscar Valentín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentin

Ni-thiosaccharinate complexes: Synthesis, characterization and DFT studies. Biological properties as superoxide dismutase mimetics and as anti-carcinogenic agents

This report describes the synthesis and characterization of two nickel thiosaccharinate complexes, [Ni(tsac)2(PPh3)2] (1) and [Ni(tsac)2(dppe)]·CH3CN (2), where tsac = thiosaccharinate anion, PPh3 = triphenylphosphane and dppe = bis(diphenylphosphanyl)ethane. Elemental analysis, FTIR, 1H, 13C and 31P NMR spectra and single crystal X ray diffraction studies of the complexes are presented. DFT optimizations of the two new compounds were performed in order to verify the FTIR vibrational assignations. The two nickel(II) thiosaccharinate complexes consist of mononuclear units in which the Ni atoms are the centre of square-planar coordination spheres, surrounded by two sulfur thiosaccharinate atoms and two phosphorous atoms from the phosphane ligands. In both complexes, the anions are mono-coordinated to the metal. In the [Ni(tsac)2(PPh3)2] structure, the phosphane moieties are located in trans position. In the [Ni(tsac)2(dppe)] structure, the dppe ligand chelates to the metal centre, as expected. Additionally, the superoxide dismutase (SOD) mimetic activity of the complexes was measured and it is reported herein. The effects of the complexes on cell proliferation were also studied and are described.Fil: Delgado, Fermin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Nicova, Eva. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Agotegaray, Mariela Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: González Pardo, María Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Ciencias Biológicas y Biomédicas del Sur. Universidad Nacional del Sur. Departamento de Biología, Bioquímica y Farmacia. Instituto de Ciencias Biológicas y Biomédicas del Sur; ArgentinaFil: Dorn, Viviana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Burrow, Robert A.. Universidade Federal de Santa Maria; BrasilFil: Dennehy, Mariana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentin

2-(4,5-Dihydro-1,3-oxazol-2-yl)quinoline

The title compound, C12H10N2O, is approximately planar. The angle between the quinoline and 4,5-dihydro­oxazole ring systems is 11.91 (12)°. The mol­ecules pack into a herringbone array with no significant π–π inter­actions. The dihydro­oxazole N and O atoms are disordered over two positions, with almost equal site occupancy factors

Effect of anthropic activities on aoil geochemistry in toposequences of the Rio Grande do Sul Plateau, Brazil

A gestão agrícola e ambiental eficaz depende da compreensão da variação do conteúdo total dos elementos químicos no solo. Neste trabalho (i) foram determinados os teores totais de elementos químicos em solos de duas topossequências localizadas no planalto do Rio Grande do Sul e, (ii) foi avaliada a influência dos usos antrópicos e relevo na geoquímica do solo. As amostras foram coletadas em nove pontos de amostragem e em cinco camadas de solo, num total de 45 amostras. A concentração elementar (flúor a urânio) foi determinada utilizando um espectrômetro de fluorescência de raios-X por dispersão de comprimento de onda, em pastilhas de solo previamente peneiradas em malha de 53 μm e pren- sadas. Foram estabelecidas as concentrações basais de 35 elementos químicos para os solos do planalto do Rio Grande do Sul, cujo material de origem são arenitos da formação Tupanciretã. O teor total de elementos químicos variou com a posição na encosta (ambiente de perda e deposição de material); com a intensidade da influência antrópica (adição de fertilizante, manejo do solo e drenagem da área úmida) e; com a condição hidromórfica do solo ao longo das toposse- quências.Efficient agricultural and environmental management depends upon the good understanding of the variation in the total contents in soil chemical elements. In this study (i) determine the total contents of chemical elements in soils of two toposequence located in the Rio Grande do Sul plateau and, (ii) the influence of anthropic uses and relief in soil geochem- istry. Soil samples were collected at nine sampling points and five soil layers for a total of 45 samples. The elemental concentrations (fluorine to uranium) was determined using a wavelength dispersive X-ray fluorescence spectrometer with pressed soil pellets, pre-sieved in 53 μm and pressed. The basal concentrations of 35 chemical elements were established for the soils of the Rio Grande do Sul plateau, whose material of origin are fluvial sandstones of the Tupanciretã For- mation. The chemical element levels varied according to the position in the slope (environment of loss and deposition of material); the intensity of the anthropic influence (addition of fertilizer, soil management and drainage of the wet area); and the hydromorphic condition of the soil along the topossequences

Absolute configuration of clemateol

The present study reports the determination of absolute stereochemistry of clemateol, an irregular monoterpene containing an epoxy group, which was isolated as the main component from the essential oil of Calea clematidea (Asteraceae). Its absolute stereochemistry was unambiguously established on the basis of detailed nuclear magnetic resonance (NMR) spectroscopic evidence (3JH-H analysis, derivatization as Mosher's esters and nuclear Overhauser effect (NOESY) spectrum) and also by resonance scattering effects in the single crystal X-ray diffraction (XRD) resolution of its (R)-mandelic acid ester derivative.Fil: Pedroso, Marcelo. Universidade Federal de Santa Maria; BrasilFil: Gehn, Adriana Z.. Universidade Federal de Santa Maria; BrasilFil: Stivanin, Mateus L.. Universidade Federal de Santa Maria; BrasilFil: Larghi, Enrique Leandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; ArgentinaFil: Burrow, Robert A.. Universidade Federal de Santa Maria; BrasilFil: Resende, Jackson A. L. C.. Universidade Federal Fluminense; BrasilFil: Da Silva, Ubiratan F.. Universidade Federal de Santa Maria; BrasilFil: Mostardeiro, Marco A.. Universidade Federal de Santa Maria; BrasilFil: Dalcol, Ionara I.. Universidade Federal de Santa Maria; BrasilFil: Morel, Ademir F.. Universidade Federal de Santa Maria; Brasi

Defects of B-cell terminal differentiation in patients with type-1 Kabuki syndrome

Kabuki syndrome (KS) is a complex multi-system developmental disorder associated with mutation of genes encoding histone-modifying proteins. In addition to craniofacial, intellectual, and cardiac defects, KS is also characterized by humoral immune deficiency and autoimmune disease, yet no detailed molecular characterization of the KS-associated immune phenotype has previously been reported

Synthesis and crystal structure of chalcogenide cluster compound

Three new cluster compounds were synthesized from Hg(EPh)2 (E = Se, Te; Ph = phenyl) in organic solvents. Two of these compounds, [Hg2Cl2(SePh)2(PCy3)2], (1), and [Hg2Br2(SePh)2(PCy3)2], (2), were prepared by reaction of Hg(SePh)2, HgX2 (X = Cl, Br) and tricyclohexylphosphine, PCy3, in dimethylformamide. The reaction of Hg(TePh)2 with HgBr2 in tetrahydrofuran using triphenylphosphine or 2,2’-bipyridine as co-ligands gave the polymeric cluster [{Hg5Br3(TePh)7}n] (3), whose dissolution in dimethylsulfoxide yielded the cluster [Hg3Br3(TePh)3]·2dmso. The influence of different ligands, coordinating solvents and reaction stoichiometries on the formation of the title compounds is also discussed. All complexes were characterized by elemental analysis, thermogravimetric analysis and single crystal X-ray diffractometry