Variable temperature x-ray crystal structure analysis of a type I langbeinite: Rb2Cd2(SO4)(3)

The structure of a type I langbeinite, Rb2Cd2(SO4)(3), displays three different phases, cubic with a = 10.378(5) Angstrom (space group P2(1)3) at room temperature, monoclinic at 120 K with a = 10.328(3), b = 10.322(3), c = 10.325(3) Angstrom, beta = 89.975(1)degrees (space group P2(1)), and orthorhombic at 85 K with a = 10.319(2), b = 10.321(2), c = 10.320(2) Angstrom (space group P2(1)2(1)2(1)), respectively. Precise single-crystal analyses of these phases indicate that Rb2Cd2(SO4)(3) distorts initially from cubic to monoclinic upon cooling followed by a significant reorientation of the SO4 tetrahedra, resulting in an orthorhombic symmetry upon further cooling. The three structures have been established unequivocally using the same crystal. There is no indication of the formation of an intermediate triclinic phase or any lattice disorder as conjectured in several earlier reports on compounds belonging to the type I langbeinite. The bond valence sum analyses of the coordination around the Rb sites indicate asymmetry in the bond strengths which could be the driving force of the ferroelectric behavior in these materials.

Quaternary association in beta-prism I fold plant lectins: Insights from X-ray crystallography, modelling and molecular dynamics

Dimeric banana lectin and calsepa, tetrameric artocarpin and octameric heltuba are mannose-specific beta-prism I fold lectins of nearly the same tertiary structure. MD simulations on individual subunits and the oligomers provide insights into the changes in the structure brought about in the protomers on oligomerization, including swapping of the N-terminal stretch in one instance. The regions that undergo changes also tend to exhibit dynamic flexibility during MD simulations. The internal symmetries of individual oligomers are substantially retained during the calculations. Energy minimization and simulations were also carried out on models using all possible oligomers by employing the four different protomers. The unique dimerization pattern observed in calsepa could be traced to unique substitutions in a peptide stretch involved in dimerization. The impossibility of a specific mode of oligomerization involving a particular protomer is often expressed in terms of unacceptable steric contacts or dissociation of the oligomer during simulations. The calculations also led to a rationale for the observation of a heltuba tetramer in solution although the lectin exists as an octamer in the crystal, in addition to providing insights into relations among evolution, oligomerization and ligand binding.

Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: special emphasis on their interactions with DNA

4-(p-X-phenyl)thiosemicarbazone of napthaldehyde {where X = Cl (HL1) and X = Br (HL2)}, thiosemicarbazone of quinoline-2-carbaldehyde (HL3) and 4-(p-fluorophenyl) thiosemicarbazone of salicylaldehyde (H2L4) and their copper(I) {Cu(HL1)(PPh3)(2)Br]center dot CH3CN (1) and Cu(HL2)(PPh3)(2)Cl]center dot DMSO (2)} and copper(II) {((Cu2L2Cl)-Cl-3)(2)(mu-Cl)(2)]center dot 2H(2)O (3) and Cu(L-4)(Py)] (4)} complexes are reported herein. The synthesized ligands and their copper complexes were successfully characterized by elemental analysis, cyclic voltammetry, NMR, ESI-MS, IR and UV-Vis spectroscopy. Molecular structures of all the Cu(I) and Cu(II) complexes have been determined by X-ray crystallography. All the complexes (1-4) were tested for their ability to exhibit DNA-binding and - cleavage activity. The complexes effectively interact with CT-DNA possibly by groove binding mode, with binding constants ranging from 10(4) to 10(5) M-1. Among the complexes, 3 shows the highest chemical (60%) as well as photo-induced (80%) DNA cleavage activity against pUC19 DNA. Finally, the in vitro antiproliferative activity of all the complexes was assayed against the HeLa cell line. Some of the complexes have proved to be as active as the clinical referred drugs, and the greater potency of 3 may be correlated with its aqueous solubility and the presence of the quinonoidal group in the thiosemicarbazone ligand coordinated to the metal.

Soberania e acumulação de capital: uma análise crítica de Hugo Grotius, Pasquale Mancini e Hans Kelsen

A soberania já foi conceituada de diversos modos ao longo da história. Apesar disso, não deixou de ser a categoria mais elementar do direito internacional; expressando o fundamento de atuação dos Estados, foi através da soberania que o direito internacional se desenvolveu do Século XVII até os dias de hoje. Isso evidencia uma distinção entre o conteúdo da soberania, quer dizer, o seu modo de manifestação, o seu conceito, que se altera em cada período histórico, de um lado, e, do outro, a forma jurídica internacional expressa pela soberania, que se mantém intacta e que existe independentemente do conteúdo que lhe é dado, quer dizer, o lugar que ela ocupa no direito internacional. Através da análise do conceito de soberania fornecido por três autores clássicos de diferentes períodos históricos Hugo Grotius, Pasquale Mancini e Hans Kelsen o presente trabalho tem por objetivo demonstrar o caráter ideológico de cada teoria e, conseqüentemente, sua inexatidão. Para fazê-lo, foi adotado o método materialista dialético, através do qual a produção de idéias por parte do homem deve ser observada nos limites das suas condições de existência e as idéias produzidas como um reflexo consciente do mundo real. Cuida-se, assim, de observar o direito de superioridade afirmado por Grotius nos limites das condições de existência humana que se alteravam com a transição do feudalismo para capitalismo, e extrai-se o seu sentido da luta entre a Igreja e os monarcas que iam centralizando sob si o poder. Da mesma forma, observa-se o direito de nacionalidade de Mancini sob as condições de existência propiciadas pelo amadurecimento das classes sociais do capitalismo na Europa Ocidental como fruto da Revolução Industrial, extraindo-se seu sentido das lutas revolucionárias por libertação nacional que ali se desenrolavam. O caráter essencialmente limitado da soberania de Kelsen, enfim, será observado no contexto da passagem do capitalismo para sua época imperialista, como um reflexo consciente dos desenvolvimentos experimentados pelo direito internacional no fim do Século XIX e início do Século XX, após a Primeira Guerra Mundial. Assim, além de demonstrar o caráter ideológico e a inexatidão dos conceitos mencionados, busca-se demonstrar que o conteúdo da soberania em cada período histórico analisado encontra sua razão de ser na correspondente fase de desenvolvimento do capitalismo e que a forma jurídica soberania, isto é, o lugar que ela ocupa no direito internacional, é determinado pela necessidade do capitalismo de um instrumento de força que assegure a acumulação de capital, o Estado soberano.

Studies on the submerged plant community in Lake Biwa. I. Distribution and productivity of Egeria densa. A submerged plant invader in the south basin [Translation from: Physiol.Ecol.Japan 17, 283-290, 1976]

Egeria densa (PLANCH.) ST. JOHN, a submerged plant invader, forms a wide submerged plant zone, particularly along the west coast of the south basin, Lake Biwa. The macrophyte occupies over 82% of the plant zone in the basin and its biomass reaches 93% of the total. The estimated annual net production was approximately 1 kg dry wt./m2 in a dense area, which is about 4.5 times as much as the net production by phytoplankton in an offshore area of the basin. Although the area covered by the macrophyte is only 5.8% of the total of the basin, it produced about one-tenth of the total annual primary production. In the most productive season Egeria produced 46% of the total primary productivity. Thus, the macrophyte never be neglected when one considers the energy flow or material circulation in the basin. This study was initiated in order to clarify the role of submerged macrophytes, particularly E. densa, in Lake Biwa. The following points are reported in this paper: the distribution of macrophytes in the south basin; seasonal change in standing crop of E. densa; seasonal change in values related to production, utilizing a model proposed by Ikushima with its parameters experimentally determined.

A estranha nação de Moacyr Scliar: a ficcionalização de lugares, identidades e imaginários judaicos e brasileiros

Esta tese trata da ficcionalização das questões de identidades, lugares e imaginários judaicos e brasileiros nos romances contos e novelas de temática judaica escritos pelo gaúcho Moacyr Scliar. Na introdução, apresento os objetivos e pressupostos gerais do trabalho, bem como proponho uma divisão da obra em questão em duas fases. No primeiro capítulo, analiso os romances A Guerra no Bom Fim (1972) e O Exército de um Homem Só (1973), sob o ponto de vista da testagem de lugares judaicos clássicos enquanto fontes de inspiração para a resolução dos dilemas que emergem na diáspora brasileira e o início de um processo de dotação de legitimidade ao viver judaico na diáspora sul-americana. No segundo capítulo, analiso o conto A Balada do Falso Messias (1976) e o romance Os Voluntários (1979), sob o ponto de vista da tematização do Messianismo, do Sionismo e do papel que Jerusalém exerce no imaginário judaico moderno e de sua adequação ou não para alimentar o imaginário judaico na contemporaneidade. No terceiro capítulo, trato da ficcionalização das construções identitárias das personagens judias da primeira fase da obra scliariana (1972 a 1980), sob o ponto de vista das noções de hibridismo, aculturação e assimilação. Neste capítulo, analiso as personagens centrais dos romances A Guerra no Bom Fim, O Exército de um Homem Só, Os Deuses de Raquel (1975), (O Ciclo das Águas) (1975), Os Voluntários e O Centauro no Jardim (1980). No quarto capítulo, analiso o romance A Estranha Nação de Rafael Mendes (1983), tentando demonstrar que esta narrativa representa um divisor de águas na obra do autor, por tematizar as raízes judaicas da cultura brasileira através dos marranos, cristãos-novos e cripto-judeus que aqui aportaram com os portugueses em 1500. No quinto e último capítulo, analiso os romances da Segunda fase scliariana: Cenas da Vida Minúscula (1991), A Majestade do Xingu (1997) e A Mulher que Escreveu a Bíblia (1999). Neste capítulo, tento demonstrar que nestas narrativas dá-se o início de uma tentativa de construção de um imaginário judaico-brasileiro próprio, formado por uma fusão de motivos tipicamente brasileiros e outros especificamente judaicos, o que seria o corolário do já mencionado processo de dotação de legitimidade e viabilidade da diáspora judaico-brasileira frente à concretude e a reificação do Israel moderno. Na conclusão, teço algumas considerações sobre o todo do trabalho e levanto algumas questões relativas à construções de imaginários coletivos nas diásporas judaicas, mais especificamente na brasileira

Low temperature X-ray structures of two crystalline forms (I) and (II) of the pyrimidine derivative and sodium channel blocker BW1003C87: 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine

The X-ray crystal structures of two crystalline forms of 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine, C10H7Cl3N4 (code name BW1003C87) (I) and (II), have been carried out at liquid nitrogen temperature. A detailed comparison of the two structures is given. Both are centrosymmetric, with structure (I) in the triclinic space group P (1) over bar unit cell a = 6.4870(10), b = 9.216(2), c = 12.016(2) angstrom, alpha = 75.78(3)degrees, beta = 89.95(3)degrees, gamma = 83.45(3)degrees, V = 691.5(2) angstrom(3), Z = 2 and density (calculated) = 1.544 Mg/m(3); and (II) in the monoclinic space group P2(1)/c, unit cell a = 12.000(2), b = 7.518(2), c = 13.450(3) angstrom, beta = 97.87(3)degrees, V = 1202.0(5) angstrom(3), Z = 4, Density (calculated) = 1.600 Mg/m(3). Structure (I) includes a solvated CH3OH in the lattice. Final R indices [I > 2sigma(I)] are R1 = 0.0427, wR2 = 0.1075 for (I) and R1 = 0.0487, wR2 = 0.1222 for (II). R indices (all data) are R1 = 0.0470, wR2 = 0.1118 for (I) and R1 = 0.0623, wR2 = 0.1299 for (II). 5-Phenyl-2,4 diaminopyrimidine and 6-phenyl-1,2,4 triazine derivatives, which include lamotrigine (3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine), have been investigated for some time for their effects on the central nervous system. Both lamotrigine and 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine (code name BW1003C87), the subject of the present study, are anticonvulsant as well as neuroprotective in models of brain ischaemia and in a model of white matter ischaemia. BW1003C87 is a sodium channel blocker which also reduces the release of the neurotransmitter glutamate. The three dimensional structures reported here form part of a newly developed data base for the detailed investigation of members of this drug family and their biological activities.

X-ray crystallographic structures of two lamotrigine analogues: (I) 3,5-diamino-6-(2-chlorophenyl)-1,2,4-triazine water solvate and (II) 3,5-diamino-6-(3,6-dichlorophenyl)-1,2,4-triazine methanol solvate

The X-ray crystal structures of two lamotrigine derivatives (I) 3,5-diamino-6-(2-chlorophenyl)-1,2,4-triazine, C9H8ClN5, (465BL) as a hydrate, and (II) 3,5-diamino-6-(3,6-dichlorophenyl)-1,2,4-triazine, C9H7Cl2N5, (469BR) as a methanol solvate, have been carried out at liquid nitrogen temperature and room temperature, respectively. A detailed comparison of the two structures is given. Both are centrosymmetric with (I) in the orthorhombic space group Pbca, a = 12.2507(3), b = 15.7160(6), c = 21.71496(9) angstrom, Z = 16, and (II) in the monoclinic space group C2/c, a = 38.553(3), b = 4.9586(2), c = 14.546(2) angstrom, beta = 111.59(1)degrees, Z = 8. Final R indices [I > 2sigma(I)] for (I) are R1 = 0.0670, wR2 = 0.1515 and for (II) R1 = 0.0434, wR2 = 0.1185. Structure (I) has water of crystallization in the lattice and (II) includes a solvated CH3OH. Structure (I) is characterized by having two crystallographically independent molecules, A and B, of 465BL, per asymmetric unit. Molecule B has a very unusual feature in that the 2-chlorophenyl ring is statistically disordered, occupying site (1) in 87.5% of the structure and site (2) in 12.5% of the structure. Sites (1) and (2) are related by an exact 180 degrees pivot of the phenyl ring about the ring linkage bond. The presence of two independent molecules per asymmetric unit provides an ideal opportunity for the conformational flexibility of the molecule 465BL to be studied. Structure (I) also includes a further unusual feature in that the lattice contains one fully occupied water molecule and an additional solvated water which is only 33% occupied.

Low temperature X-ray crystallographic structures of two lamotrigine analogues: (I) 2-methyl,3-amino, 5-imino-6-(2,3-dichlorophenyl)-1,2,4-triazine water solvate and (II) 2-methyl,3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate, hemi-hydrate

The X-ray crystal structures of two lamotrigine derivatives (I) 2-methyl, 3-amino, 5-imino-6-(2, 3-dichlorophenyl)-1,2,4-triazine, C10H9Cl2N5, as the hemi hydrate and (II) 2-methyl,3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine, C10H10Cl2N5, as the isethionate-water solvate, have been carried out at liquid nitrogen temperature. A detailed comparison of the two structures is given. Both are monoclinic and centrosymmetric, with (I) in space group C2/c, and (II) in space group P2(1)/n. For (I) the unit cell dimensions are a = 19.5466(10), b = 7.5483(4), c = 15.7861(8) angstrom, beta = 91.458(3)degrees, volume = 2328.4(2) angstrom(3), Z = 8, density = 1.590 Mg/m(3); for (II). For (II) the unit cell dimensions are a = 6.0566(2), b = 11.0084(4) c = 23.9973(9) angstrom, beta = 92.587(3)degrees, volume = 1598.35(10) angstrom(3), Z = 4, density = 1.597 Mg/m(3). For (I) final R indices [I > 2sigma(I)] are R1 = 0.0356, wR2 = 0.0782 and R indices (all data) are R1 = 0.0424, wR2 = 0.0817. For (II) final R indices [I > 2sigma(I)] are R1 = 0.0380, wR2 = 0.0871 and R indices (all data) R1 = 0.0558, wR2 = 0.0949. Both structures have a molecule of water of crystallization and (II) also includes a solvated CH3SO3. Comparisons are made between the two structures. Structure (I) is very unusual in having a = NH group at position C5' on the triazine ring. No other examples of this particular substitution, which is usually -NH2, have been reported.

X-ray crystallographic structures of neuroprotective pyrimidine derivatives: (I) the mesylate salt of BW1003C87 and (II) sipatrigine base

Drugs based on 5-phenyl-2,4 diamino pyrimidine and 6-phenyl-1,2,4 triazine derivatives are well known for their effects on the central nervous system. The study presented here provides detailed crystal structures of two pyrimidine derivatives which have neuroprotective properties in models of both grey and white matter ischemia. Recently published studies suggest that the compounds lamotrigine (a triazine derivative), and the two pyrimidines BW1003C87 (I) and sipatrigine (II) mediate their primary in vivo mode of action by inhibiting voltage-gated Na+ channels. The X-ray crystal structures will contribute valuable data for applications involving binding and modelling studies of the biological actions of these drugs.

La otra Ley de Foucault. Una lectura crítica

Few studies have addressed the relationship between law and power in the works of Michel Foucault. Some authors emphasize that law performs a completely secondary role in the diagram of power of modernity, while others argue that there is a close link between power relations and the law. Foucault's Law by Golden and Fitzpatrick aims to renew these discussions and reconstruct another law of Foucault. In this paper I make a critical reading of this work, highlighting the faulty presentation that the authors carried out of the works of Foucault.

El idiotismo de la sociedad tradicionalista tecnificada de principios de siglo XX en Colombia: La crítica de Luis Vidales a través de "Suenan timbres"

En este artículo tratamos, por medio de Suenan timbres de Luis Vidales, el idiotismo de la sociedad tradicionalista tecnificada de principios de siglo XX en Colombia. Estudio que realizamos desde el concepto de idiotismo de Vidales, en estrecha relación con el de cultura de viñeta de Rafael Gutiérrez Girardot, para plantear la burla del poeta a la sociedad capitalista, que cuestiona la presencia de la Iglesia católica y la política conservadora en todos los estadios de la vida nacional.