2-(4-Methylsulfanylphenyl)-1H-benzimidazol-3-ium bromide

In the cation of the title compound, C14H13N2S+center dot Br-, the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 angstrom) is substituted with a 4-methylsulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methylsulfanylphenyl ring is 2.133 (2)degrees. The crystal structure is characterized by strong and highly directional intermolecular N-H center dot center dot center dot Br hydrogen bonds involving the bromide ion. Moreover, C-H center dot center dot center dot S interactions result in chains of molecules along the c axis. The supramolecular assembly is further stabilized by pi-pi stacking interactions between the benzimidazole system and 4-methylsulfanylphenyl rings centroid-centroid distance = 3.477 (4) angstrom].

Facial Coordination in BIS[BIS(Benzimidazol-2-Ylmethyl)Amine]Copper(II) Perchlorate Dihydrate - Synthesis, Structure, Spectra and Redox Behavior

The 1:1 and 1:2 cooper(II) complexes with the tridentate compound bis(benzimidazol-2-ylmethyl)amine (L(1)) and its benzimidazole (L(2)) and amine (L(3)) N-methyl-substituted derivatives have been prepared and their spectroscopic properties studied. While the 1:1 complexes are of the type CuLX(2) nH(2)O (X = C/O-4(-), NO3-, Cl- or Br-), the 1:2 complexes are of the type CuL(2) (ClO4)(2) nH(2)O (L = L(1) or L(3), n = 0-4). In all these complexes L acts as a tridentate ligand with the amine nitrogen and both the benzimidazole nitrogens co-ordinating to Cu-II. The complex [CuL(2)(1)][ClO4](2) 2H(2)O crystallises in the monoclinic space group P2(1)/c with a = 9.828(2), b = 9.546(2) and c = 19.906(2) Angstrom and beta = 95.71(1)degrees, for Z = 2. The R value is 0.0635 for 2180 significant reflections. The copper(II) ion has an elongated octahedral geometry with four equatorial benzimidazole and two long-distance axial amine N donors. The Cu-N-bzim and Cu-N-amine distances are 2.011(4) and 2.597(6) Angstrom respectively. Factors favouring facial co-ordination to tridentate ligands are discussed. The 1:1 complexes involve meridonal co-ordination of the ligands, with square-based geometry as revealed by ligand-field and EPR spectral properties. The NMe substitution as in CuL(3)(ClO4)(2) confers low V ($) over tilde$$(max) and high E(1/2) for the cu(II)-Cu-I couple. Most of the 1:1 complexes are less reversible but exhibit E(1/2) values more positive than those of the corresponding 1:2 complexes.

Bis{2-4-(methylsulfanyl)phenyl]-1H-benzimidazol-3-ium} tetrabromidocuprate(II) dihydrate

The asymmetric unit of the title compound, (C14H13N2S)(2)CuBr4]center dot 2H(2)O, contains two cations, one anion and two solvent water molecules that are connected via O-H center dot center dot center dot Br, N-H center dot center dot center dot Br and N-H center dot center dot center dot O hydrogen bonds into a two-dimensional polymeric structure. The cations are arranged in a head-to-tail fashion and form stacks along 100]. The central Cu-II atom of the anion is in a distorted tetrahedral environment.

Docking e análise do modo de ligação de três moléculas pequenas, um benzimidazol e dois compostos de crômio, nos sulcos do DNA 5'-CGCGAATTCGCG-3

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Wasserfreie Protonenleiter für Brennstoffzellen auf der Basis von Imidazol und Benzimidazol

Mit Hilfe von Brennstoffzellen wird eine effiziente Energieumwandlung von chemischer in elektrische Energie möglich. Die kommerziellen PEM-Brennstoffzellen benutzen Membra-nen, die zum Erreichen hoher Leitfähigkeiten eine wässrige Phase erfordern, in der der Proto-nentransport stattfindet. Somit wird die Betriebstemperatur durch den Siedepunkt des Wassers limitiert. Die verwendeten Pt-Katalysatoren zeigen bei niedrigen Temperaturen eine höhere Empfindlichkeit gegenüber CO, dass im Reformierungsprozess bei der Erzeugung von Was-serstoff entsteht. Austausch der wässrigen Phase gegen Heterozyklen, die ein zu Wasser ver-gleichbares Wasserstoffbrückennetzwerk aufbauen, in dem der Protonentransport stattfinden kann, ermöglicht eine höhere Betriebstemperatur. Durch das im Laufe des Brennstoffzellen-betriebs gebildete Wasser, können die Heterozyklen verdünnt bzw. komplett aus der Memb-ran ausgewaschen werden. Daher ist es erforderlich, die Ladungsträger an ein Polymerrück-grat zu binden, so dass sie eine hohe Beweglichkeit und Konzentration, die denen in der flüs-sigen Phase einer konventionellen Membran entsprechen, aufweisen. Diese Arbeit beschreibt die Synthese und Charakterisierung von Protonenleitern, die ohne eine flüssige Phase auskommen, da sie bereits protonische Leitfähigkeit als intrinsische Ei-genschaft zeigen. Es wurden verschiedene imidazol- bzw. benzimidazolhaltige Dimere und Polythiophene, in denen Benzimidazol in der Seitenkette über verschieden flexible Spacer mit dem Polymerrückgrat verbunden ist, synthetisiert. Die Materialien wurden in undotierten Zu-stand und nach Dotierung mit geringen Mengen Phosphorsäure umfassend charakterisiert und auf thermisches Verhalten, Stabilität und Leitfähigkeit untersucht. Die benzimidazolhaltigen Dimere weisen mit 250 °C die höchsten Zersetzungstemperaturen auf. Mit zunehmender Temperatur kann in allen Fällen eine Erhöhung der Leitfähigkeit beobachtet werden, die sich in der Arrhenius-Auftragung durch eine Gerade anpassen lässt, somit kann der Protonentrans-port durch einen Protonen-hüpfmechanismus beschrieben werden. Die höchste beobachtete Leitfähigkeit liegt im Bereich von 10-6 S/cm bei 160 °C. Durch Zusatz von Phosphorsäure kann die Leitfähigkeit z.T. um einige Größenordnungen gesteigert werden. Eine Ausnahme bilden die Polythiophene, die sowohl protonische als auch elektronische Leitfähigkeit besit-zen. Hier führt die Säure zu einer Lokalisierung der Ladungsträger, so dass die elektronische Leitfähigkeit eingeschränkt wird.

Untersuchungen uber das Methyl-Benzimidazol /

Thesis (doctoral)--Universitat Marburg, 1898.

Síntese e caracterização de complexos de Co(II) e Ni(II) com l-dopa, carbidopa e benzimidazol

Were synthesized in this work in the following aqueous solution coordination compounds: [Ni(LDP)(H2O)2Cl2].2H2O, [Co(LDP)Cl2].3H2O, [Ni(CDP)Cl2].4H2O, [Co(CDP)Cl2].4H2O, [Ni(BDZ)2Cl2].4H2O and [Co(BDZ)2Cl2(H2O)2]. These complexes were synthesized by stoichiometric addition of the binder in the respective metal chloride solutions. Precipitation occurred after drying the solvent at room temperature. The characterization and proposed structures were made using conventional analysis methods such as elemental analysis (CHN), absorption spectroscopy in the infrared Fourier transform spectroscopy (FTIR), X-ray diffraction by the powder method and Technical thermoanalytical TG / DTG (thermogravimetry / derivative thermogravimetry) and DSC (differential scanning calorimetry). These techniques provided information on dehydration, coordination modes, thermal performance, composition and structure of the synthesized compounds. The results of the TG curve, it was possible to establish the general formula of each compound synthesized. The analysis of X-ray diffraction was observed that four of the synthesized complex crystal structure which does not exhibit the complex was obtained from Ldopa and carbidopa and the complex obtained from benzimidazole was obtained crystal structures. The observations of the spectra in the infrared region suggested a monodentate ligand coordination to metal centers through its amine group for all complexes. The TG-DTG and DSC curves provide important information and on the behavior and thermal decomposition of the synthesized compounds. The molar conductivity data indicated that the solutions of the complexes formed behave as a nonelectrolyte, which implies that chlorine is coordinated to the central atom in the complex.

Síntese e caracterização de complexos de Co(II) e Ni(II) com l-dopa, carbidopa e benzimidazol

Were synthesized in this work in the following aqueous solution coordination compounds: [Ni(LDP)(H2O)2Cl2].2H2O, [Co(LDP)Cl2].3H2O, [Ni(CDP)Cl2].4H2O, [Co(CDP)Cl2].4H2O, [Ni(BDZ)2Cl2].4H2O and [Co(BDZ)2Cl2(H2O)2]. These complexes were synthesized by stoichiometric addition of the binder in the respective metal chloride solutions. Precipitation occurred after drying the solvent at room temperature. The characterization and proposed structures were made using conventional analysis methods such as elemental analysis (CHN), absorption spectroscopy in the infrared Fourier transform spectroscopy (FTIR), X-ray diffraction by the powder method and Technical thermoanalytical TG / DTG (thermogravimetry / derivative thermogravimetry) and DSC (differential scanning calorimetry). These techniques provided information on dehydration, coordination modes, thermal performance, composition and structure of the synthesized compounds. The results of the TG curve, it was possible to establish the general formula of each compound synthesized. The analysis of X-ray diffraction was observed that four of the synthesized complex crystal structure which does not exhibit the complex was obtained from Ldopa and carbidopa and the complex obtained from benzimidazole was obtained crystal structures. The observations of the spectra in the infrared region suggested a monodentate ligand coordination to metal centers through its amine group for all complexes. The TG-DTG and DSC curves provide important information and on the behavior and thermal decomposition of the synthesized compounds. The molar conductivity data indicated that the solutions of the complexes formed behave as a nonelectrolyte, which implies that chlorine is coordinated to the central atom in the complex.

Synthesis, characterisation and superoxide dismutase activity of a manganese(II) complex

A potent superoxide dismutase mimic; Mn-II(HL)(2) [H(2)L = 2,6-bis(benzimidazol-2-yl)pyridine] has been synthesised and characterised by its crystal structure determination and EPR spectroscopy.

Structure, Spectra and Redox Behaviour of Copper(11) Complexes of Bis( benzimidazoly1)diamine Ligands

The linear quadridentate ligand N,N'-bis(benzimidazoI-2-ylethyl)ethane-l,2-diamine (L') and its 1 - methylbenzimidazole analogue (L2) and homologues form 1 : 1 complexes with Cu(CIO,),; L' also forms complexes of the types CuL'X, where X = NO,, PF,, Br or CI and CuL'(X)Y where X = CI or Br and Y = CIO, or Br. Deep blue CuL1Br,*2H20 crystallizes in the monoclinic space group C2/c with Z = 4, a = 9.91 9(2), b = 16.626(3), c = 14.1 02(3) le\ and p = 94.39(2)". The structure was solved by Patterson and Fourier difference methods and refined by the least-squares technique to R = 0.064 for 2195 independent reflections with / > 1.50(/). The molecule lies on a two-fold axis symmetrically around Cu". The co-ordination around Cu" is found to be square planar with two amino nitrogens and two benzimidazole nitrogens forming the equatorial plane [CU-N 1.983(3) and 2.037(4) A]. The bromides are at longer distances [3.349(1) A] in axial sites. Ligand field and EPR spectra indicate that one bromide or chloride ion is axially co-ordinated to Cu" in [CuL1l2+. This ion exhibits quasi-reversible redox behaviour. Electrochemical studies of the dihalides in methanol have established the presence of [CuL'X,], [CuL'(X)]+ and [CuL'I2+ in equilibrium. In complexes with 565 [CuL4I2+ [L4 = N,Nbis( benzimidazol-2-ylmethyl)ethane-l,2-diamine] and 555 [CuL3] [L3 = N,N'-bis(1 -methylbenzimidazol- 2-ylmethyl)propane-l,3-diamine] chelate rings, Cull does not seem to lie in the N, square plane, as revealed by their low A values and irreversible electrochemical behaviour. The Cu"-Cu' redox potentials in methanol are in the order [CuL1I2+ < [CuL3I2+ < [CuL4I2+; this illustrates that sixmembered chelate rings are suitable to stabilize Cu", when CU-N 0 interactions are favourable.

Mitochondria-Targeting Oxidovanadium(IV) Complex as a Near-IR Light Photocytotoxic Agent

Oxidovanadium(IV) complexes VO(L-1)(phen)]Cl (1) and VO(L-2)(L-3)]Cl (2), in which HL1 is 2-{(benzimidazol-2-yl)methylimino]-methyl}phenol (sal-ambmz), HL2 is 2-({1-(anthracen-9-yl)methyl]-benzimidazol-2-yl}methylimino)-met hyl]phenol (sal-an-ambmz), phen is 1,10-phenanthroline and L-3 is dipyrido3,2-a:2,3-c]phenazine (dppz) conjugated to a Gly-Gly-OMe dipeptide moiety, were prepared, characterized, and their DNA binding, photoinduced DNA-cleavage, and photocytotoxic properties were studied. Fluorescence microscopy studies were performed by using complex 2 in HeLa and HaCaT cells. Complex 1, structurally characterized by X-ray crystallography, has a vanadyl group in VO2N4 core with the VO2+ moiety bonded to N,N-donor phen and a N,N,O-donor Schiff base. Complex 2, having an anthracenyl fluorophore, showed fluorescence emission bands at 397, 419, and 443nm. The complexes are redox-active exhibiting the V(IV)/V(III) redox couple near -0.85V versus SCE in DMF 0.1M tetrabutylammonium perchlorate (TBAP). Complex 2, having a dipeptide moiety, showed specific binding towards poly(dAdT)(2) sequence. The dppz-Gly-Gly-OMe complex showed significant DNA photocleavage activity in red light of 705nm through a hydroxyl radical ((OH)-O-.) pathway. Complex 2 showed photocytotoxicity in HaCaT and HeLa cells in visible light (400-700nm) and red light (620-700nm), however, the complex was less toxic in the dark. Fluorescence microscopy revealed the localization of complex 2 primarily in mitochondria. Apoptosis was found to occur inside mitochondria (intrinsic pathway) caused by ROS generation.

Mitochondria-Targeted Photoinduced Anticancer Activity of Oxidovanadium( IV) Complexes of Curcumin in Visible Light

Oxidovanadium(IV) complexes VO(py-aebmz)(B)]Cl (1, 2) and VO(napth-py-aebmz)(cur)]Cl 3; py-aebmz = 2-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethylene)ethanamine, HB = acetylacetone (Hacac, 1) and curcumin (Hcur, 2), napth-py-aebmz = naphthalimide conjugated to py-aebmz ] have been prepared, characterized and their photoinduced DNA cleavage activities and photocytotoxicities studied. Complexes 1-3 each exhibited an irreversible cyclic voltammetric response of the V-IV/V-III redox couple at around -0.85 V versus SCE in dmf/0.1 M tbap. The complexes showed DNA photocleavage activity in visible light of 454, 530 and 647 nm through hydroxyl radical and singlet oxygen pathways. Fluorescence microscopy data suggest mitochondrial localization of complex 3 bearing a naphthalimide with a two-fold increase in photocytotoxicity in HaCaT cells with an IC50 value of 6.3 M and a three-fold increase in MCF-7 cells with an IC50 of 5.4 M compared with complex 2. Both 2 and 3 were non-toxic in the dark.

DFT/TDDFT Studies on the Electronic Structures and Spectral Properties of Rhenium(I) Pyridinybenzoimidazole Complexes

The electronic structures and spectral properties of three Re(I) complexes [Re(CO)(3)XL] (X = Br, Cl; L = 1-(4-5 '-phenyl-1.3,4-oxadiazolylbenzyl)-2-pyridinylbenzoimidazole (1), 1-(4-carbazolylbutyl)-2-pyridinylbenzoimidazole (2), and 2-(1-ethyl benzimidazol-2-yl)pyridi ne (3)) were investigated theoretically. The ground and the lowest lying triplet excited states were full optimized at the B3LYP/LANL2DZ and CIS/LANL2DZ levels, respectively. TDDFT/PCM calculations have been employed to predict the absorption and emission spectra starting from the ground and excited state geometries, respectively.

Resumos...

Custo do controle químico da ferrugem asiática da soja na safra 2006/07; Estimativa do custo de produção de semente de soja no Triângulo Mineiro e Alto Paranaíba safra 2006/07; Programa de difusão de cultivares de soja desenvolvida pela Embrapa Soja, para os Estados do Paraná, de Santa Catarina, do Mato Grosso do Sul e de São Paulo - safra 06/07; Índices fisiológicos de cultivares de soja em diferentes épocas de semeadura no oeste da Bahia; Acúmulo de matéria seca e área foliar de cultivares de soja em diferentes épocas de semeadura no oeste da Bahia; Resistência à penetração, densidade e umidade de um latossolo vermelho distroférrico sob diferentes sistemas de produção; Monitoramento de insetos-pragas na cultura da soja, no Estado do Tocantins; Efeito de diferentes práticas de controle de pragas sobre a população de lagartas, percevejos e seus inimigos naturais, na cultura da soja; Avaliação de inseticidas e enxofre no controle de percevejo castanho e de corós, na cultura da soja; Diferentes inseticidas e doses no controle da lagarta falsa medideira (Pseudoplusia includens Walker, 1857), na cultura da soja; Eficiência de inseticidas/acaricidas no controle do ácaro verde, Mononychellus planki, na cultura da soja; Seletividade do inseticida flubendiamide e dos inseticidas spirotetramat & imidacloprid m mistura de pronto uso sobre artropodos predadores naturalmente encontrados no agroecossistema soja; Principais problemas fitossanitários detectados na cultura da soja no nordeste paraense - safra 2006/2007; Quais as causas da soja louca? Avaliação da reação de genótipos de soja ao nematóide das lesões radiculares; Avaliação da reação de espécies vegetais ao nematóide das lesões radiculares; Efeito do tratamento de sementes + aplicação foliar de fungicidas no manejo da ferrugem asiática da soja; Eficiência de fluquinconazole, via tratamento de sementes, no controle da ferrugem asiática da soja; Tratamento de sementes de soja com fluquinconazole associado à pulverização de fungicidas visando o controle da ferrugem asiática e da mancha parda; Aplicação aérea de tebuconazole + benzimidazol para o controle da ferrugem asiática da soja; Eficiência de triazóis nos ensaios em rede para controle da ferrugem asiática da soja (Phakopsora pachyrhizi); Eficiência de estrobilurinas, misturas de triazóis e estrobilurinas e triazóis e benzimidazóis nos ensaios em rede para controle da ferrugem asiática da soja (Phakopsora pachyrhizi); Resultados sumarizados dos ensaios em rede para controle da mela da soja (Rhizoctonia solani AG1); BRS Charrua RR: cultivar de soja indicada para o sul do Estado de Mato Grosso do Sul; ? BRS Pampa RR: cultivar de soja indicada para o sul do Estado de Mato Grosso do Sul; BRS 232: extensão de indicação para a região sul do Estado de Mato Grosso do Sul; BRS 243RR: extensão de indicação para a região sul do Estado de Mato Grosso do Sul; BRS 245RR: extensão de indicação para a região sul do Estado de Mato Grosso do Sul; BRS 246RR: extensão de indicação para a região sul do Estado de Mato Grosso do Sul; Recomendação da cultivar de soja CD 224 para os Estados do Paraná, São Paulo e região sul do Estado do Mato Grosso do Sul; Recomendação da cultivar de soja CD 225RR para o Estado do Paraná ; Recomendação da cultivar de soja CD 226RR para o Estado do Paraná e região sul do Estado do Mato Grosso do Sul; Recomendação da cultivar de soja CD 227 para os Estados de Goiás e Minas Gerais e região sul e norte do Estado do Mato Grosso; Extensão da cultivar de soja CD 219RR para o Estado da Bahia; Cultivar de soja BRSMG 810C; Cultivar de soja BRSMG 850GRR: indicação para o Estado de Goiás e Distrito Federal; Cultivar de soja BRSMG 750SRR: indicação para os estados de São Paulo, Goiás e Distrito Federal; Análise discriminante na caracterização de novos descritores em soja [Glycine max (L.) Merrill]; Influência do tamanho de semente na caracterização de descritores adicionais de soja; ? Estimativa de repetibilidade da avaliação de resistência ao oídio em genótipos de soja adaptados ao Estado de Goiás; Indicação da cultivar de soja BRSGO Graciosa para os Estados de Goiás e Distrito Federal; Reação de genótipos de soja à síndrome da morte súbita, causada pelo fungo Fusarium solani f. sp. Glicynes; Reação de genótipos de soja à ferrugem asiática, causada pelo fungo Phakopsora pachyrhizi Sydow; Indicação da cultivar de soja EMGOPA 302 RR,para o Estado de Goiás e Distrito Federal; Indicação da cultivar de soja emgopa 315 RR, para o Estado de Goiás e Distrito Federal; Indicação da cultivar de soja EMGOPA 316 RR, para o Estado de Goiás e Distrito Federal; GT - 8901: nova cultivar de soja para os Estados de Goiás e Distrito Federal; GT - 8901: nova cultivar de soja para as regiões norte e nordeste; Comportamento de cultivares de soja sob condições de várzea irrigada no sul do Estado do Tocantins, entressafra 2005; Extensão de indicação da cultivar BRS Barreiras para o Piauí, sul do Maranhão e norte de Tocantins; Cultivar de soja BRS 270RR: descrição, comportamento e indicação para cultivo; Cultivar de soja BRS 271RR: descrição, comportamento e indicação para cultivo; Extensão de indicação da cultivar BRS 252 para cultivo no cerrado de Roraima; Extensão de indicação da cultivar BRS Carnaúba para cultivo em cerrado de Roraima; Produtividade e qualidade de sementes de genótipos de soja hortaliça em cerrado de Roraima 2006/2007; Influência da adubação potássica e umidade do solo na produção da soja; Resposta da cultura de soja a diferentes níveis de adubação potássica em cobertura; Teores de potássio em amostras foliares de soja obtidos por digestão nitroperclórica e por extração com água; Nível crítico de manganês trocável no solo, para soja em latossolo vermelho de textura argilosa do Mato Grosso; Nível crítico de manganês trocável no solo, para a soja, em latossolo vermelho de textura argilosa do Maranhão; Nível crítico de manganês trocável no solo, para a soja em latos-solo vermelho amarelo de textura média do Maranhão; Aplicação foliar de soluções de ácidos húmicos sobre a produ-tividade de soja; Avaliação de extratores de boro em solos cultivados com soja; Fontes e doses de molibdênio para enriquecimento de sementes e seus efeitos no rendimento da soja; Monitoramento de plantas daninhas na cultura da soja no Estado do Tocantins; Manejo de plantas daninhas em cultivos orgânicos de soja por meio de descarga elétrica; Controle de plantas daninhas em soja orgânica com uso da roçadeira articulada; Estudo da interação entre glifosato, micronutrientes e fungicida em soja RR; BRS Juliana RR - variação da cor do hilo de sementes de soja; Desperdícios na colheita mecânica da soja no Paraná e no Brasil na safra 2006/07; Efeito da antecipação e do retardamento de colheita na qualidade fisiológica e nos teores de óleo e proteina das sementes de soja cultivar Valiosa RR; Antecipação de colheita de sementes de soja com dessecação em pré-colheita; Efeito da aplicação de glyphosate como dessecante em pré-colheita sobre a qualidade de semente de soja; Aplicação de glyphosate como dessecante em pré-colheita em semente de soja: efeito sobre a produtividade; Suscetibilidade de genótipos de soja à produção de semente esverdeada, produzidos em condições de estresses hídrico e térmico; Qualidade e produtividade de sementes de soja em função de doses de potássio produzidas em cerrado de Roraima em 2006; Qualidade e produtividade de sementes de soja produzidas em cerrado de Roraima, em plantio direto sobre braquiária; Desempenho fisiológico de semente de soja em função do volume de calda no seu tratamento.