Crystal Structure Determination of Mebendazole Form A Using High-Resolution Synchrotron X-Ray Powder Diffraction Data

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

THE CRYSTAL-STRUCTURE OF BENZOYL-HISTIDINE MONOHYDRATE

The crystal structure of benzoyl-histidine monohydrate (BYLH hereafter), C-13H-12N-3O-3. H2O was determined from three dimensional data of 3012 independent reflections measured on a Enraf-Nonius (CAD4) single crystal diffractometer. The compound crystallizes in the orthorhombic space group P2(1)2(1)2(1) with cell dimensions alpha = 7.102(1) angstrom, b = 13.783(3) angstrom, c = 14.160(4) angstrom, V = 1385.92 angstrom-3, F.W. = 277.28, F(000) = 584 Q(calc) = 1.32 g cm-3 and Z = 4.The structure was solved with direct methods. All positional and anisotropic thermal parameters were refined by full-matrix least-squares calculations. The final reliability factor was R = 0.040, while the weighted one was Rw = 0.034. The H atoms found in the difference Fourier map were refined isotropically.The compound consists of a histidine molecule bound to a benzoyl group. There is also a cocrystallized water molecule stabilized through a hydrogen bridge.The 5-membered ring of the histidine has its tautomeric form, after the transfer of the H atom from the N(delta) to the N(epsilon) atom of the ring. There is an sp2 conformation around C6 while the conformation around C3 is that of sp3. The histidine ring forms with the benzene ring a dihedral angle of 109.8(1)-degree.All angle values and bond distances agree very well with the expected values in the literature.

Geological evolution of the basement rocks in the east-central part of the Rondonia Tin Province, SW Amazonian craton, Brazil: U-Pb and Sm-Nd isotopic constraints

On the basis of geologic, petrologic, and U-Pb geochronologic data the basement rocks in the east-central part of the Rondonia Tin Province (RTP, southwestern Amazonian craton) are grouped into five lithologic associations: (1) tonalitic gneiss (1.75 Ga); (2) enderbitic granulite (1.73 Ga); (3) paragneiss; (4) granitic and charnockitic augen gneisses (1.57-1.53 Ga); and (5) fine-grained granitic gneiss and charnockitic granulite (1.43-1.42 Ga). The first three are related to development of the Paleoproterozoic Rio Negro-Juruena Province and represent the oldest crust in the region. The tonalitic gneisses and enderbitic granulites show calc-alkaline affinities and Nd isotopic compositions (initial epsilon(Nd) = +0-1 to -1.5; T-DM of 2.2-2.1 Ga) that suggest a continental arc margin setting for the original magmas. The paragneisses yield T-DM values of 2.2-2.1 Ga suggesting that source material was primarily derived from the Ventuari-Tapajos and Rio Negro-Juruena crusts, but detrital zircon ages and an intrusive granitoid bracket deposition between 1.67 and 1.57 Ga. The granitic and charnockitic augen gneisses show predominantly A-type and within-plate granite affinities, but also some volcanic arc granite characteristics. The initial epsilon(Nd) values (+0.6 to +2.0) indicate mixing of magmas derived from depleted mantle and older crustal sources. These rocks are correlated to the 1.60-1.53 Ga Serra da Providencia intrusive suite that reflects inboard magmatism coeval with the Cachoeirinha orogen located to the southeast. The fine-grained granitic gneiss and charnockitic granulites represent the first record of widespread magmatism at 1.43-1.42 Ga in northern Rondonia. Their geochemical signatures and the slightly positive initial epsilon(Nd) values (+0.7 to +1.2) are very similar to those of the most evolved granites of the calc-alkaline Santa Helena batholith farther southeast. U-Pb monazite and Sm-Nd whole-rock-garnet ages demonstrate that a high-grade tectonometa-morphic episode occurred in this region at 1.33-1.30 Ga. This episode attained upper-amphibolite conditions and is interpreted as the peak of the Rondonian-San Ignacio orogeny. The U-Pb and Sm-Nd data presented here and data published on rapakivi granites elsewhere indicate that the east-central part of the RTP is a poly-orogenic region characterized by successive episodes of magmatism, metamorphism, and deformation between 1.75 and 0.97 Ga. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Vertical displacement during late-collisional escape tectonics (Brasiliano Orogeny) in the Ribeira Belt, São Paulo State, Brazil

During the Brasiliano-Pan-African Orogeny, West Gondwana formed by collisional processes around the Sao Francisco-Congo Craton. The Ribeira belt, in southeastern Brazil, resulted from northwestward collision (650-600 Ma), followed by large-scale northeast-southwest dextral strike-slip shear movements related to late-collisional escape tectonics (ca 600 Ma).In São Paulo State, three groups, also interpreted as terranes, are recognised in the Ribeira Belt, the Embu, Itapira and Sao Rogue Groups. The Embu and Itapira Groups are formed of sillimanite-gneisses, schists and migmatites intruded by Neoproterozoic calc-alkaline granitoids, all thrusted northwestward. The Sao Rogue Group is composed of metasediments and metavolcanics in greenschist-facies. Its deformation indicates a transpressional regime associated with tectonic escape. Sub-alkaline granites were emplaced in shallow levels during this regime. Microstructural studies along the Itu, Moreiras and Taxaquara Shear Zones demonstrate the coexistence of horizontal and Vertical displacement components during the transpressional regime. The vertical component is regarded as responsible for the lateral juxtaposition of different crustal levels. (C) 1999 Elsevier B.V. Limited. All rights reserved.

Os complexos granitoides Cunhaporanga e Tres Corregos (PR) zoneamento magmatico e implicacoes geotectonicas

Geological, petrographic, chemical and zircon typology data from the Cunhaporanga and Tres Corregos granitoid complexes are presented and discussed. Both complexes of Late Precambrian age evolved by crystal fractionation. By its zircon typology the Cunhaporanga is classified as a low temperature calc-alkaline batholith and the Tres Corregos as a medium temperature calc-alkaline complex. This classification implies a major participation of mantle material during the generation of the Tres Corregos magma in relation to the Cunhaporanga ones. In this way both complexes define a magmatic zoning from NW to SE done by a increasing in the depth of magma generation. -from English summary

Tipologia de zircao e razao inicial Sr87/86Sr em series granitoides

Sr87/86Sr initial ratio data based on the isochrons from 22 granitoid complexes of Brasiliano age (Late Precambrian) from S and E Brazil are presented. The complexes have been classified into different rock series with the aid of zircon typology. A correlation between the initial ratio and the zircon typology can be determined. Of particular interest is the systematic decrease of the Sr87/86Sr initial ratio in the range from the low, through medium to the high temperature calc-alkaline series which could indicate a gradual increasing of mantle material in the genesis of calc-alkaline granitoid of progressive greater depths. -from English summary

Chemistry of Biotites and Whole Rocks from the Rapakivi Itu Complex (Late Precambrian), State of São Paulo, SE Brazil

Chemical analyses for biotites and their host rocks from the Cabreúva (three facies) and Salto (five facies) intrusions from the multiple-centered rapakivi Itu Complex, State of São Paulo, Brazil, are presented and compared. The Cabreúva intrusion comprises different kinds of mainly even-grained biotite and hornblende-bearing syenogranites, monzogranites and quartz syenites and the Salto intrusion several types of mainly porphyritic biotite syenogranites, some of them hornblende-bearing. The biotites from the Salto intrusion (S-micas) show a more restricted composition than those from the Cabreúva intrusion (C-micas). This reflects the chemical variability of the two bodies which is smaller in the Salto intrusion and larger in the Cabreúva pluton. In the AlIV x Fet/(Fet+Mg) diagram the S- and C-micas show similar AlIV contents, around 2.2-2.3, but C-micas have higher Fet/(Fet+Mg) ratios (0.7-0.9) compared to those of S-micas (0.5-0.6). In the Mg:(Al+Fe+3+Ti):(Fe+2+Mn) diagram the S-micas are defined as Fe+2-biotites and the C-micas occupy the area between the Fe+2-biotites and the siderophyllite/lepidomelane fields, slightly overlapping the latter. In the Al2O3 × FeOt, MgO × FeOt, Al2O3 x MgO and Alt x Mg diagrams, the S-micas always lie on the calc-alkaline/alkaline boundary (or in the subalkaline field) whereas the C-micas systematically plot in the alkaline field, reflecting the higher alkalis content of the Cabreúva intrusion. In the Fet/(Fet+Mg) x SiO2 diagram, the S-micas lie on a smooth line whereas the C-micas from the different facies are separated by distinct chemical gaps reflecting the major or minor chemical overlapping of the facies from the Salto and Cabreúva intrusions.

Magmatismo há ca. 660 - 640 Ma no Domínio Socorro: Registros de convergência-colisional na Aglutinação do Gondwana Ocidental

Uranium-lead zircon ages between 660 and 640 Ma, obtained from a series of calc-alkaline orthogneisses and plutons in southeast Brazil's Central Mantiqueira Province, suggest that a significant period of magmatism occurred in this region prior to the collisional assembly of West Gondwana (presently constrained in the region between ca. 625 and 580 Ma). While the nature of this earlier magmatism is presently unclear, some preliminary Sm-Nd data suggest that these magmas were not solely derived from the Paleoproterozoic lithosphere, but appear to represent hybrid products of Paleoproterozoic and Neoproterozoic sources. As such hybrid mixtures have been most commonly observed in continental are settings, it is possible that the 660 to 640 Ma magmatism represents are magmatism that resulted from subduction of Neoproterozoic oceanic crust during early precollisional convergence and closure of a branch of either the Adamastor or Goianides oceans.

Geoquímica de gnaisses do arco magmático de goiás na região sul do estado de goiás

Granitic to trondhjemitic gneisses from the Pontalina region in the southern part of Goiás State, Central Brazil, have calcic to calc-alkaline, metaluminous to peraluminous compositions. They have low concentrations of alkaline elements, and are enriched in Ba, Sr, K, Rb in relation to Nb, Y, Zr and REE, and have negative anomalies of Nb and Ti, features which are similar to those of magmas generated in magmatic arc environments. Those rocks were previously interpreted as part of the basement of the Brasília Belt, attributed to the Archean to Paleoproterozoic, but new Sm - Nd isotopic data indicate a neoproterozoic age (TDM = 0,9 a 1,2 Ga), and the preliminary geochemical data reveal compositions similar to the gneisses of the other regions belonging to the Goiás Magmatic Arc.

Os granitóides brasilianos da faixa de dobramentos paraguai, MS e MT

The Brazilian Granitic Province from southeastern Mato Grosso do Sul and Mato Grosso region, central western Brazil, can be divided into two major groups and/or magmatic events related to the evolution of the Paraguay Fold Belt. The southern portion crops out in Mato Grosso do Sul State and is constituted by the Taboco, Rio Negro, Coxim and Sonora massifs forming NE-SW oriented, elongated small intrusions. The north portion crops out in Mato Grosso State and is constituted by the São Vicente, Araguaiana and Lajinha batholiths. Lithogeochemical aspects of the northern granites point to Type-I granites ranging from K calc-alkaline to high-K, peraluminous to metaluminous in composition, generated in an environment of continental collision and/or post- collision decompression. The southern granites are Type-I, from K calc-alkaline to high-K, peraluminous to subordinate metalummous, in a syn-collision continental arc environment with the exception of some pre-collisional facies from the Rio Negro Massif. The southern granites have less SiO 2 and K 2O, and are less differentiated and evolved than granites from the northern region. The four southern granites can be grouped into two subordinate sets with the degree of differentiation increasing from South (Taboco and Rio Negro) to North (Coxim and Sonora). The granitic rocks are characterized by a magmatism generated by melting of material from the lower crust which suggests that in this province the formation from non-cogenetic magmas with diversified compositions and distinct degrees of fractioning reaching more steady consolidated environments at the end of the collisional event in the southeastern Amazonian Craton.

Geologic e geoquímica do batólito Rapakivi Rio Branco, SW do Craton Amazônico - MT

The Rio Branco Rapakivi Batholith belongs to the Cachoeirinha Tectonic Domain, part of the Rio Negro-Juruena Geochronological Province located on the southwestern portion of the Amazonian Craton in Mato Grosso, Central Brasil. A systematic geological mapping on a 1:100.000 scale, coupled with petrographic and geochemical studies allowed to redefine this batholithic unit, to recognize faciological variations and to characterize the geochemical features of this rapakivi magmatism. The batholith is constituted by two major plutonic suites, the first forming a basic suite of fine-grained, equigranular, mesoto melanocratic gray to black lithotypes, with usually discontinuous porphyritic varieties located near the margins of the intrusion. The second one is characterized by acid to intermediate rocks constituted by porphyritic granites, in part granophyric, with rapakivi textures. They have K-feldspar phenocrysts of up to 4cm. Three distinct petrographic facies are recognized in this suite: 1. equigranular to pegmatitic monzogranites; 2. red rapakivi leuco-monzogranites; 3. dark red rapakivi monzogranites to quartz-monzonites. Rocks present SiO2 contents from 67% to 73%, show peraluminous to metaluminous compositions and define a high-K calc-alkaline to shoshonitic magmatism in an I- and A-type, post-orogenic to anorogenic intraplate environment. The magmatic processes are associated with the end of the collisional event that consolidated and stabilized the SW part of the Amazonian Craton.

Evolução geológica dos batólitos granitóides neoproterozóicos do sudeste do estado de são paulo

The Neoproterozoic granitogenesis related to the Central Mantiqueira Province comprise the calc alkaline to alkaline granitoid complexes of Sorocaba, San Francisco, São Roque, Ibiúna and Piedade. These complexes occur in a ruptil tectonic to tardi (Sn+3) event. The emplacement of the different facies in transtractives structures of the pull-apart type are characterized in the area by the main transcurrent shear zones of Taxaquara-Pirapora, Itu-Jundiuvira, Moreiras, Cangüera and Caucáia of ENE-WSW general direction. The massifs present complex internal architecture characterized by intrusions in restrict initial phase of intermediate equigranular nature. Also present a main phase of porfiroid monzo and sienogranite that fragments the previous phase, followed by lateral accretion of equi to inequigranular material, and in some cases by the accretion of late phases of circular bodies of porfiroid rapakivi granites, and a late to final phase of aplitic to pegmatitic composition. This magmatism grew with the intrusions of successive magmatic pulses, partially controlled by many reactivations of the shear zones. The REE also suggest that the magmatic phases are similar, synchronous and repetitive in four of the complexes in both domains, present in the São Francisco Complex. The crystallization starts from accretion processes, but compositionally quite different from the others. The variation in compositions and ages (TDM) for these granites reflect the derivation from different sources developed under different magmatic conditions, followed by processes of contamination that frequently occur in the crust.

Suíte vulcânica serra da bocaina, grupo amoguijá, maciço rio apa-MS

The Rio Apa Massif corresponds to the southeastern portion of the Amazonian Craton and crops out in the Mato Grosso do Sul State, Brazil. It is constituted by rocks of paleoproterozoic age of Rio Apa Complex, Alto Tererê Group and the plutonic-volcanic suites of the Amoguijá Group, subdivided in Alumiador Intrusive suits and Serra da Bocaina Volcanic. The Volcanic Suite is represented by São Francisco and Bocaina mountains and is constituted by terms of the composition of alkali - rhyolitic to rhyolitic, including in minor amounts riodacite, andesite and dacite. It consists of a variety of textual subvolcanic rocks, volcanic and varied volcanoclastics. The pyroclastic deposits are very expressive and consist of pyroclastic particle immerse in aphanitic matrix, fine grained or amorphous, where quartz, feldspar, chlorite, sericite, microlithes of carbonate, sparse spherulites and reliquiar volcanic glass can be distinguished. The pyroclastic rocks are represented by breccias, ignimbrites, agglomerate, tuffs, lapillistones and pumices and contain commonly vitroclasts, lithoclasts and crystalloclasts, pumices, fiammes, glass shards, spherulites, vesicles and amygdales. They are calc-alkaline rocks with dominant peraluminous character high to middle potassium series and define a sin-colisional dominant tectonic and are genetically associated to the evolution of the Amoguijá Magmatic Arc.

Cavas históricas de ouro do Jaraguá: o que resta para se preservar?

The Historical Jaraguá Gold Caves are vestiges of excavations in weathered rock, dating back to the Brazilian colonial times, situated NW of Jaraguá peak, in the São Paulo municipality (SP). The areas were investigated to support historical preservation innitiatives. The excavations have lateral steep slopes and a narrow fat bottom zone, occupied by dense vegetation. The trace of the excavations is sinuous, trending N40-50W, in accordance to a transition zone of Neoproterozoic rocks: metapelites and metapsamites by the SW side and calc-silicate rocks and amphybolites at NE. The structural control results from three successive deformation phases. Urban expansion and road construction, during the last 30 years, have strongly impacted the areas: (I) Base of Quebra-Pé hill; (II) Jardim Britânia; (III) Morro Doce; (IV) Nova Anhangüera Park. A 5 th site was disfgured by earthworks. The Jardim Britânia area is partly discharacterized by earthflls; this however does not impede further protection actions. This framework allows to recommend authorities: (1) to permit immediate preservation of these areas; (2) to develop programs to build an integrated site for scientifc diffusion or an educational center for exhibition of rocks, ores and mineral samples; (3) to support the interest of some owners to preserve the area called Morro Doce, (4) to put forward a few proposals for educational use of the excavations, by production of feld guides on the historic sites. The alternatives will help keeping alive the memory of mining in the São Paulo State.