Síntese, estrutura e propriedades de complexos de molibdênio, prata e chumbo com ácido 'alfa'-hidroxicarboxílicos

O presente trabalho tem como objetivo o estudo de complexos obtidos a partir da interação de ácidos a-hidroxicarboxílicos ou de seus respectivos sais, com óxidos de molibdênio e de chumbo e com o nitrato de prata. Os ácidos a-hidroxicarboxílicos utilizados foram os ácidos glicólico (C2H4O3), málico (C4H6O5), tartárico (C4H6O6) e mandélico (C8H8O3). Foram sintetizados treze compostos, sendo seis com o íon Mo(VI), quatro com o íon Ag(I) e três com o íon Pb(II). Além destes compostos, foram repreparados três compostos, (NH4)2[MoO2(C2H2O3)2]H2O, (NH4)2[MoO2(C8H6O3)2] e (NH4)2[MoO3(C4H4O6)] H2O. A partir destes três complexos foram obtidos óxidos (MoO3) com áreas superficiais entre 1,0 e 3,0 m2/g. Cinco compostos da série M2[MoO2(C2H2O3)2]nH2O, onde M = Li+, Na+, K+, Rb+ e Cs+; C2H2O3 2- = glicolato2- e n = 1 ou u, foram preparados a partir da adição de MoO3(s) em solução do sal alcalino desejado do ácido glicólico na proporção molar metal:ligante 1:2. Os compostos no estado sólido foram separados da solução por filtração após concentração e adição de etanol absoluto. Os compostos foram caracterizados por análise elementar, espectroscopia IV e difratometria de raios X. Foi realizado um estudo complementar de espectroscopia de RMN de 1H e de 13C para os compostos K2[MoO2(C2H2O3)2]H2O, K2[MoO2(C8H6O3)2] e K2[MoO3(C4H4O6)]H2O. Os compostos da série M2[MoO2(C2H2O3)2]nH2O são fotossensíveis à radiação UV, sendo o complexo K2[MoO2(C2H2O3)2]H2O, o que apresenta maior fotossensibilidade. O composto Na2[MoO2(C4H4O5)2]uH2O foi obtido a partir de MoO3 e ácido málico utilizando-se a metodologia descrita para os compostos da série M2[MoO2(C2H2O3)2]nH2O. O complexo obtido foi caracterizado por análise elementar, espectroscopia IV e difração de raios X. Com AgNO3 foram obtidos os complexos glicolato, malato, tartarato e mandelato de prata...The aim of this work is study of solid complexes prepared by the reaction of a-hydroxycarboxilic acids or the respectives salts with molybdenum or lead oxides and silver nitrate. Glycolic (C2H4O3), malic (C4H6O5), tartaric (C4H6O6) and mandelic (C8H8O3) acids were the a-hydroxycarboxilic acids used in this work. Thirteen complexes were obtained: six complexes with Mo(VI), four complexes with Ag(I) and three complexes with Pb(II). The complexes (NH4)2[MoO2(C2H2O3)2]H2O, (NH4)2[MoO2(C8H6O3)2] and (NH4)2[MoO3(C4H4O6)] H2O were prepared again in order to measure specific area of the respective oxides after calcination. These three compounds led to the formation of MoO3 with superficial area ranging from 1.0 to 3.0 m2/g. The compounds of the series M2[MoO2(C2H2O3)2]nH2O, where M = Li+, Na+, K+, Rb+ and Cs+, C2H2O3 2- = glicolate2- and n = 1 or u, were synthesized in aqueous medium by the reaction of the respective salt of the glycolic acid with molybdenum trioxide. Molar ratio of 1:2 metal:ligand was used. The solution was concentrated until the formation of a viscous product. The solid complexes were obtained by addition of ethanol. The complexes were characterized by elemental analysis (C, H and O), thermal analysis (TG/DTA), infrared spectroscopy and X-ray diffractometry (powder method). An additional study using nuclear magnetic resonance spectroscopy (1H and 13C) was performed with K2[MoO2(C2H2O3)2]H2O, K2[MoO2(C8H6O3)2] and K2[MoO3(C4H4O6)]H2O. These compounds showed to be photosensitive to the UV radiation. The complex K2[MoO2(C2H2O3)2]H2O was the most photosensitive. The complex Na2[MoO2(C4H4O5)2]uH2O was obtained from MoO3 with malic acid by the use of the same methodology of synthesis of the complexes of type M2[MoO2(C2H2O3)2]nH2O. This complex was characterized by elemental analysis, infrared spectroscopy and X-ray diffractometry... (Complete abstract, click electronic address below)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP

Cyanotype: an artistic way to talk about (photo) chemistry

The present manuscript is dedicated to show how intuitive, easy and low cost can be a laboratorial experience of photochemistry. In this case, we present a practical undergraduate class, in about 2 hours, that allows undergraduate students to have contact with weighing techniques, synthesis, dissolutions, chemical reactions, and preparation of solutions. Besides the common laboratory routines, some concepts like stoichiometric calculations, concentration units, photochemistry reactions, complex reactions, and coordination chemistry also are discussed. In addition, we propose the adaptation of the experience using common laboratory materials, as an alternative proposal for obtaining the photosensitive mixture and carrying out the cyanotype process. Undergraduate students will have the opportunity to prepare a photosensitive paper and obtain a photographic image, due to the formation of the Prussian blue pigment, making the class more playful, stimulating creativity and making the learning environment unique

Synthesis and characterization of solid molybdenum(VI) complexes with glycolic, mandelic and tartaric acids. Photochemistry behaviour of the glycolate molybdenum complex

The complexes (NH4)(2)[ MoO2( C2H2O3)(2)]center dot H2O, (NH4)(2)[MoO2(C8H6O3)(2)] and (NH4)(2) [MoO3(C4H4O6)]center dot H2O were prepared by reaction of MoO3 with glycolic, mandelic and tartaric acids, respectively. The complexes were characterized by elemental and thermal analysis, IR spectroscopy and X- ray diffraction. Crystals of the glycolate and tartarate complexes are orthorhombic and the mandelate complex is monoclinic. Elemental and thermal analysis data showed that the glycolate and tartarate complexes are monohydrated. Hydration water is not present in the structure of the mandelate complex. IR spectra showed COO- is involved in coordination as well as the oxygen atom of the deprotonated hydroxyl group of the alpha-carbon. The glycolate molybdenum complexes with general formula M-2[MoO2(C2H2O3)(2)]center dot nH(2)O, where M is an alkali metal and n=1 or 1/2, were also prepared and characterized. Aqueous solutions of the glycolate complex become blue and mandelate and tartarate complexes change to yellow or brown when exposed to UV- radiation

Crystal structure, spectroscopic characterization and antibacterial activities of a silver complex with sulfameter

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)A silver complex with the sulfonamide sulfameter, also known as sulfamethoxydiazine (SMTR), was prepared and characterized. Chemical analyses were consistent with the [Ag(C11H11N4O3S)] composition (AgSMTR), while conductivity measurements in DMSO indicated a non-electrolyte behavior of the complex in this solvent. High-resolution ESI(+)-QTOF mass spectrometric experiments revealed the presence of the [Ag(C11H11N4O3S)+H](+) and [Ag-2(C11H11N4O3S)(2)+H](+) species in solution. Infrared and NMR spectroscopies indicated coordination of the ligand to the metal by the nitrogen atoms of the sulfonamide group and of the pyrimidine ring. The structure of AgSMTR was solved by powder X-ray diffraction technique using the Rietveld method. The solved structure confirms the formation of a dimer, where each silver ion is coordinated by one of the nitrogen atoms of the pyrimidine ring, the nitrogen of the sulfonamide group and by an oxygen atom from the sulfonyl group. An argentophilic interaction of 2.901(1) angstrom is present in this dimeric structure. The AgSMTR complex was assayed over Gram-positive (Staphylococcus aureus) and Gram-negative (Pseudomonas aeruginosa and Escherichia coli) bacterial strains, and it was found that the compound is 8 times more active over the Gram-negative bacteria in DMSO solution, with MIC values in the micromolar range. (C) 2016 Elsevier B.V. All rights reserved.A silver complex with the sulfonamide sulfameter, also known as sulfamethoxydiazine (SMTR), was prepared and characterized. Chemical analyses were consistent with the [Ag(C11H11N4O3S)] composition (AgSMTR), while conductivity measurements in DMSO indicate1125609615FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOFAPEMIG - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE MINAS GERAISFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)2015/20882-3; 2015/25114-4; 2015/09833-0442123/2014-0REDE-113/10; CEX - RED-00010-14This study was supported by grants from the Brazilian Agencies FAPESP (São Paulo State Research Council, grants 2015/20882-3, 2015/25114-4 and 2015/09833-0), CNPq (National Council for Scientific and Technological Development, grant 442123/2014-0) and Re

Silver sulfadoxinate: synthesis, structural and spectroscopic characterizations, and preliminary antibacterial assays in vitro

The sulfa drug sulfadoxine (SFX) reacted with Ag+ ions in aqueous solution, affording a new silver(I) complex (AgSFX), which was fully characterized by chemical, spectroscopic and structural methods. Elemental, ESI-TOF mass spectrometric and thermal analyses of AgSFX suggested a [Ag(C12H13N4O2S)] empirical formula. Infrared spectroscopic measurements indicated ligand coordination to Ag(I) through the nitrogen atoms of the (deprotonated) sulfonamide group and by the pyrimidine ring, as well as through oxygen atom(s) of the sulfonamide group. These hypotheses were corroborated by 13C and 15N SS-NMR spectroscopy and by an unconventional structural characterization based on X-ray powder diffraction data. The latter showed that AgSFX crystallizes as centrosymmetric dimers with a strong Ag efAg interaction of 2.7435(6) \uc5, induced by the presence of exo-bidentate N,N\u2032 bridging ligands and the formation of an eight-membered ring of [AgNCN]2 sequence, nearly planar. Participation of oxygen atoms of the sulfonamide residues generates in the crystal a 1D coordination polymer, likely responsible for its very limited solubility in all common solvents. Besides the analytical, spectroscopic and structural description, the antibacterial properties of AgSFX were assayed using disc diffusion methods against Escherichia coli and Pseudomonas aeruginosa (Gram-negative), and Staphylococcus aureus (Gram-positive) bacterial strains. The AgSFX complex showed to be active against Gram-positive and Gram-negative bacterial strains, being comparable to the activities of silver sulfadiazine

Silver complexes with sulfathiazole and sulfamethoxazole: synthesis, spectroscopic characterization, crystal structure and antibacterial assays

The present work describes the synthesis and spectroscopic characterization of two silver(I) complexes with the sulfonamides sulfathiazole (AgC9H8N3O2S2, Ag-SFT) and sulfamethoxazole (AgC10H10N3O3S, Ag-SFM). Elemental analyses indicate a 1:1 metal/ligand composition for both complexes. Spectroscopic techniques such as 1H, 15N NMR and IR evidence the coordination of both ligands to silver through the nitrogen atom of the sulfonamide group, and also indicate the participation of the 5-membered N-heterocyclic ring in the coordination. The Ag-SFT crystal structure was solved by X-ray powder diffraction and indicates the formation of a dimeric structure with silver bridging between two ligand molecules. Biological studies showed the antibacterial activity of Ag-SFT and Ag-SFM complexes against Gram-positive and Gram-negative bacterial strains, with MIC values ranging from 3.45 to 6.90 mmol L-1 for the sulfathiazole complex and 1.74 to 13.9 mmol L-1 for the sulfamethoxazole complex. The complexes have shown to be more active against Gram-negative bacterial strains.The present work describes the synthesis and spectroscopic characterization of two silver(I) complexes with the sulfonamides sulfathiazole (AgC9H8N3O2S2, Ag-SFT) and sulfamethoxazole (AgC10H10N3O3S, Ag-SFM). Elemental analyses indicate a 1:1 metal/ligand85437444FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOFAPEMIG - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE MINAS GERAIS2012/08230-2240094/2012-3CEX-APQ-00525/14Klasen, H.J., (2000) Burns, 26, p. 117Atiyeh, B.S., Costagliola, M., Hayek, S.N., Dibo, S.A., (2007) Burns, 33, p. 139Modak, S.M., Fox, C.L., Jr., (1973) Biochem. Pharmacol., 22, p. 2391Solioz, M., Odermatt, A., (1995) J. Biol. Chem., 270, p. 9217Hindi, K.M., Ditto, A.J., Panzner, M.J., Medvetz, D.A., Han, D.S., Hovis, C.E., Hilliard, J.K., Youngs, W.J., (2009) Biomaterials, 30, p. 3771Greenhalgh, D.G., (2009) Clin. 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Acta, Part A, 64, p. 418Abbehausen, C., Castro, J.F., Spera, M.B.M., Heinrich, T.A., Costa-Neto, C.M., Lustri, W.R., Formiga, A.L.B., Corbi, P.P., (2011) Polyhedron, 30, p. 2354Erol, S., Altoparlak, U., Akcay, M.N., Celebi, F., Parlak, M., (2004) Burns, 30, p. 357De Paiva, R.E.F., Abbehausen, C., Bergamini, F.R.G., Thompson, A.L., Alves, D.A., Lancellotti, M., Corbi, P.P., (2014) J. Incl. Phenom. Macrocycl. Chem., 79, p. 225Hamilton-Miller, J.M.T., Shah, S., Smith, C., (1993) Chemotherapy, 39, p. 405This study was supported by grants from FAPESP (Fundação de Amparo à Pesquisa do Estado de São Paulo, proc. no. 2012/08230-2), CNPq (Conselho Nacional de Desenvolvimento Científico e Tecnológico, proc. no. 240094/2012-3) and FAPEMIG (Fundação de Amparo

Changes on transmittance mode of different composite resins

The purpose of this study was to evaluate the transmittance of seven different composite resins. Ten specimens were prepared (10 mm diameter, 2 mm thickness) for each experimental group, as follows: G1- Charisma® A 2 (Heraeus-Kulzer); G2- Filtek™ Supreme A 2E (3M/ESPE); G3- Filtek™ Supreme A2B (3M/ESPE); G4-Filtek™ Supreme YT (3M/ESPE); G5- Esthet-X® A2 (Dentsply); G6- Esthet-X® YE (Dentsply); G7- Durafill® A 2 (Heraeus-Kulzer) and G8- Filtek™ Z-100 A2 (3M/ESPE). The transmittance mode was measured using a UV-visible spectrophotometer (Cary Instruments) at 400-760 nm. The specimens were evaluated at three different times: zero hour (initial), 24 hours and 10 days after immersion in artificial saliva. The differences in transmittance were determined by two-way analysis of variance (ANOVA) and Tukey's test. The various composite resins showed significant differences in the wavelength dependence of transmittance. The mean values of transmittance increased significantly, with wavelengths increasing from 400 to 760 nm. The performance of the experimental groups was similar in terms of immersion time, considering that at time zero and after 10 days, all the groups showed similar results, which were statistically higher than the values obtained after 24 hours of immersion. The Filtek™ Supreme YT composite resin presented the highest mean transmittance values along the wavelengths at the three measured times. Esthet-X® YE and Durafill® yielded similar mean transmittance values, which were higher than those of the other groups. This study shows that the transmittance values of composite resins are directly related with the type, size and amount of inorganic filler particles

Three new mononuclear group 12 complexes with benzimidazole

Three iso-structural Zn(II), Cd(II), and Hg(II) complexes with 1-benzyl-2-phenyl-1H-benzimidazole (BPB), ZnBPB, CdBPB, and HgBPB, respectively, were synthesized by reaction of the ligand with the corresponding metal chlorides in methanolic solutions. The complexes [MCl2(BPB) 2], where M = Zn(II), Cd(II), or Hg(II), were characterized by elemental analysis, 13C, 1H, and [1H- 15N] heteronuclear multiple bond coherence NMR measurements, and Raman spectroscopy. The structures of the cadmium and mercury complexes were solved by single-crystal X-ray diffraction, while the structure of the zinc complex was determined by X-ray powder diffraction. The three compounds crystallize in the triclinic system in P-1 space group with the metal ions lying in a distorted tetrahedral environment. The zinc complex shows high luminescence in the solid state at room temperature. © 2014 Taylor and Francis.67813801391Sondhi, S.M., Rani, R., Singh, J., Roy, P., Agarwal, S.K., Saxena, A.K., (2010) Bioorg. Med. Chem. Lett., 20, p. 2306Andrzejewska, M., Yepez-Mulia, L., Cedillo-Rivera, R., Tapia, A., Vilpo, L., Vilpo, J., Kazimierczuk, Z., (2002) Eur. J.Med. Chem., 37, p. 973Ünal, A., Eren, B., (2013) Spectrochim. Acta A-M, 114, p. 129Ansari, K.F., Lal, C., (2009) Eur. J. Med. Chem., 44, p. 4028Labarbera, D.V., Skibo, E.B., (2005) Bioorg. Med. Chem., 13, p. 387Küçükbay, H., Durmaz, R., Orhan, E., Günal, S., (2003) Farmaco, 58, p. 431Navarrete-Vázquez, G., (2001) Bioorg. Med. Chem. Lett., 11, p. 187Mota, V.Z., Carvalho, G.S.G., Silva, A.D., Sodre-Costa, L.A., MacHado, P.A., Coimbra, E.S., Ferreira, C.V., Cuin, A., (2014) BioMetals, 27, p. 183Cheng, J., Xie, J., Luo, X., (2005) Bioorg. Med. Chem. Lett., 15, p. 267Nozary, H., Piguet, C., Tissot, P., Bernardinelli, G., Bünzli, J.C.G., Deschenaux, R., Guillon, D., (1998) J. Am. Chem.Soc., 120, p. 12274Elhabiri, M., Scopelliti, R., Bünzli, J.C.G., Piguet, C., (1999) J. Am. Chem. Soc., 121, p. 10747Muller, G., Bünzli, J.C.G., Schenk, K.J., Piguet, C., Hopfgartner, G., (2001) Inorg. Chem., 40, p. 2642Terazzi, E., Torelli, S., Bernardinelli, G., Rivera, J., Benech, J., Bourgogne, C., Donnio, B., Piguet, C., (2005) J. Am. Chem. Soc., 127, p. 888Sarkar, D., Pramanik, A.K., Mondal, T.K., (2013) Spectrochim. Acta A-M, 115, p. 421Liu, Q.X., Wei, Q., Zhao, X.J., Wang, H., Li, S.J., Wang, X.G., (2013) Dalton Trans., 5902Wang, X.L., Hou, L.L., Zhang, J.W., Liu, G.C., Lin, H.Y., (2013) Polyhedron, 61, p. 65Kong, L., (2009) Acta Crystallogr., Sect. e, E65, p. 316Perumal, S., Mariappan, S., Selvaraj, S., (2004) Arkivoc, 8, pp. 46-51Hey, J.H., Zhi, Y.X., Zhi, Y.Z., Li, J., Zhang, F.X., (2013) J. Coord. Chem., 66, p. 1320(1997) Enraf-Nonius, , COLLECT Nonius BV Delft, The NetherlandsOtwinowski, Z., Minor, W., Denzo, H.K.L., (1997) Methods in Enzymology, 276, p. 307. , C.W. Carter Jr, R.M. Sweet (Eds) Academic Press, New YorkParkin, S., Moezzi, B., Hope, H., (1995) J. Appl. Cryst., 28, p. 53Sheldrick, G.M., (1997) SHELXS-97, Program for Crystal Structure Refinement, , University of Gottingen, GermanySheldrick, G.M., (1997) SHELXS-97, Program for Crystal Structure Analysis, , University of Gottingen, Germany(2005) TOPAS-R (Version 3.0), , Bruker AXS Karlswhe GermanyMota, V.Z., Carvalho, G.S.G., Corbi, P.P., Bergamini, F.R.G., Formiga, A.L.B., Diniz, R., Freitas, M.C.R., Da Cuin, A., (2012) Spectrochim. Acta A-M, 99, p. 110Roopashree, B., Gayathri, V., Mukund, H., (2012) J. Coord. Chem., 65, p. 1354Bowmaker, G.A., Fariati, E., Rahajoe, S.I., Skelton, B.W., White, A.H., (2011) Z. Anorg. Allg. Chem., 637, p. 1361Nilsson, K.B., Maliarik, M., Persson, I., Sandstrom, M., (2008) Dalton Trans., 2303Farrugia, L.J., (1997) J. Appl. Cryst., 30, p. 565Keller, E., (1986) Chem. Unserer Zeit, 20, p. 178Manjunatha, M.N., Dikundwar, A.G., Nagasundara, K.R., (2011) Polyhedron, 30, p. 1299Yang, H.W., Yue, F., Feng, S., Wang, J.D., Liu, H.A., Chen, H.M., Yu, K.B., Chin, Y.H., (2004) J. Org. Chem., 24, p. 792Xiao, B., Hou, H., Fany, Y., (2009) J. Coord. Chem., 62, p. 1827Hou, X.-Y., Wang, X., Fu, F., Wang, J.-J., Tang, L., (2013) J. Coord. Chem., 66, p. 3126Cui, Y., Yue, Y., Qian, G., Chen, B., (2012) Chem. Rev., 112, p. 112

A broad study of two new promising antimycobacterial drugs: Ag(I) and Au(I) complexes with 2-(2-thienyl)benzothiazole

Synthesis, characterization, DFT simulation and biological assays of two new metal complexes of 2-(2-thienyl)benzothiazole - BTT are reported. The complexes [Ag(BTT)(2)NO3] - AgBTT2 and [Au(BTT)Cl]center dot 1/2H(2)O - AuBTT were obtained by mixing the ligand with silver (I) nitrate or gold(I) chloride in methanolic solution. Characterization of the complexes were based on elemental (C, H, N and S), thermal (TG-DTA) analysis, C-13 and H-1 NMR, FT-IR and UV-Vis spectroscopic measurements, as well as the X-ray structure determination for AgBTT2. Spectroscopic data predicted by DFT calculations were in agreement with the experimental data for both complexes. The ligand BTT was synthesized by the condensation of 2-thiophenecarboxaldehyde and 2-aminothiophenol in a microwave furnace. AgBTT2 has a monomeric structure. Both complexes show a good activity against Mycobacterium tuberculosis. Free BIT shows low antitubercular activity. (C) 2012 Elsevier Ltd. All rights reserved