1,3-dipolar cycloaddition of CS2 to the coordinated azide in the cyclopalladated [Pd(bzan)(mu-N-3)](2). Crystal and molecular structure of di(mu-N,S-1,2,3,4-thiatriazole-5-thiolate)bis[(benzylideneaniline-C-2,N)palladium(II)]

The compound [Pd(bzan)(mu -N-3)](2) 1, bzan = benzylideneaniline, was prepared from [Pd(bzan) (mu -OOCCH3)](2) by an anion exchange reaction. The 1,3-dipolar cycloaddition of carbon disulfide to the bridged coordinated azide in the cyclometallated compound I was investigated. The species resulting from this reaction, di(mu -N,S-1,2,3,4-thiatriazol-5-thiolate)bis[(benzylideneaniline)palladium(II)] 2, was characterized by IR spectroscopy and X-ray diffraction. The compound 2 is a dimer containing two [Pd(benzylideneaniline)] moieties connected by two vicinal bridging N,S-1,2,3,4-thiatriazole-5-thiolate anions in a square-planar coordination geometry for the palladium atoms.

Cycloaddition reaction of the azido-bridged cyclometallated complex [Pd(dmba)N-3](2) with CS2. Crystal and molecular structure of DI(mu, N,S-1,2,3,4-thiatriazole-5-thiolate) bis[(N,N-dimethylbenzyl-amine-C-2,N)palladium(II)]

The 1,3-dipolar cycloaddition of carbon disulfide to the coordinated azide in the cyclometallated compound [Pd(dmba)(N-3)](2) (1), dmba = N,N-dimethylbenzylamine, was investigated. The compound obtained di(mu, N,S-1,2,3,4-thiatriazole-5-thiolate)-bis[(N,N-dimethylbenzylamine-C-2,N)palladium(II)] (2), was characterized by IR spectroscopy and X-ray diffraction. Complex (2) is dimeric with the two [Pd(N,N-dimethylbenzylamine)] moieties being connected by the two vicinal bridging N,S-1,2,3,4-thiatriazole-5-thiolate anions in a square-planar coordination for the palladium atoms.

Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations

(1) C13H13N3O5, Mr = 291.26, P (1) over bar, a = 7.4629(9), b = 7.9203(9), c = 12.126(2) angstrom, alpha = 86.804(5), beta = 78.471(7), gamma = 69.401(8)degrees, V = 657.3(2)angstrom(3), Z = 2, R-1 = 0.0454; (2) C11H12N2O4, Mr=236.23, Pbca, a=7.2713(9), b=14.234(1), c=20.848(3)angstrom, V= 2157.8(4) angstrom(3), Z=8, R-1=0.0504; (3) C13H13N2O3Cl, Mr = 280.70, P2/n, a = 17.344(2), b = 9.237(1), c = 18.398(2) angstrom; beta = 92.61(2)degrees, V = 2944.4(6) angstrom(3), Z = 8, R-1 = 0.0714. The conformational features of three 4-substituted-3-4-dihydropyrimidin-2(1H)-ones were investigated by computational and single crystal X-ray crystallographic studies. The geometries were optimized using semiempirical (AM1) and first principle calculations (B3LYP/6-31G**) methods, the rotational barriers for important functional groups were studied. In all structures the pyrimidinone rings are in a more or less distorted boat conformation. The phenyl and the furane rings are almost perpendicular to the best least-squares plane through the dihydropyrimidinone ring.

NbCl5-Promoted Synthesis of 4-Aryl-3,4-dihydrocoumarins by Multicomponent Reaction

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

Caries and its association with infant feeding and oral health-related behaviours in 3-4-year-old Brazilian children

Objectives: To investigate the relationships between socio-demographic factors, infant feeding habits, oral hygiene and the prevalence and patterns of caries in Brazilian 3-4-year-olds. Methods: Systematic random sampling was used to select children enrolled in municipal nurseries in Araraquara, Brazil, in 1998. Clinical examinations were carried out by one examiner using dmft and dmfs indices and WHO criteria. Questionnaires for information related to the socio-demographic background, oral hygiene and dietary history of the children were completed by their mothers. Results: Caries was seen in 46% of the children; 17% of them had the more extensive pattern involving molars and incisors. Social class, mother's education, and age at which breast-feeding terminated showed statistically significant associations with caries. Feeding bottles with added sugars were still being given to 80% of the children. When the significant variables were taken into account only age at which breast-feeding terminated showed a significant relationship to the pattern of disease. Children who were never breast-fed or were breast-fed beyond the age of 24 months had a higher prevalence of the more extensive pattern of caries. Conclusions: The association between the length of time a mother breast-feeds and extensive caries should be a consideration in any local infant feeding policies or health promotion strategies. The duration for appropriate breast- or bottle-feeding should be emphasised.

2,3,4,6-Tetra-O-(3-nitropropanoyl)-O-β-D-glucopyranoside, a new antimicrobial from the roots of Heteropteris aphrodisiaca

A new 2,3,4,6-tetra-O-(3-nitropropanoyl)-O-β-D-glucopyranoside anomer was isolated from the roots of Heteropteris aphrodisiaca and characterized by spectroscopic methods. Activity against Staphylococcus aureus, Bacillus subtilis, Candida albicans, C. parapsilosis, C. krusei, and C. tropicalis was demonstrated.

Crustal growth in the 3.4-2.7Ga São José de Campestre Massif, Borborema Province, NE Brazil

The Archean (3.45-2.70Ga) rocks of the São José do Campestre Massif (SJCM) in the Borborema Province (NE Brazil) make up a small area (~6000km2) and are composed of granitoids and metasupracrustal rocks that define a complex magmatic and deformational history. The massif provides the opportunity to study mantle- and crustal-derived magmas generated since the Palaeoarchean. The orthogneisses of the SJCM are composed of: (1) tonalite to granodiorite with diorite enclaves (Bom Jesus gneiss, 3412±8Ma; TDM Nd model ages from 4.1 to 3.5Ga and negative epsilon Nd values); (2) biotite and ferroan-diopside monzogranite (Presidente Juscelino complex, 3356±21Ma and 3251±44Ma; TDM model ages range from 4.1 to 3.4Ga and epsilon Nd values that are slightly positive to negative); (3) hornblende tonalite to granodiorite (Brejinho complex, 3333±77Ma and 3187±8Ma; dominantly positive epsilon Nd values and TDM ages from 3.6 to 3.2Ga); (4) biotite monzogranite (São Pedro do Potengi gneiss, 3120±22Ma; TDM =3.5Ga; negative epsilon Nd value); (5) ferroan-diopside-grossular anorthosite and metagabbro (Senador Elói de Souza complex, 3033±3Ma); and (6) quartz diorite to syenogranite (São José do Campestre complex; 2685±9Ma and 2655±4Ma; negative epsilon Nd values and TDM ages from 3.9 to 3.3Ga). The orthogneisses are subalkaline to faintly alkaline, magnesian to ferroan, M- and I-type granitoids that follow either the K-enrichment or the trondhjemite trends. Each group has a subset with REE characteristics similar to Archean TTG and another that is analogous to Phanerozoic granitoids. They have negative Ta-Nb and Ti anomalies and have trace element contents of granitoids from subduction zones. Geochemical and Nd isotope data suggest that subducted oceanic crust and a depleted and metasomatised mantle wedge both acted as the magma sources. We propose a convergent tectonic model in which hybridisation of the upper mantle occurs through interactions with adakitic or trondhjemitic melts and recycling of earlier crust. The results imply that both the subducted oceanic crust and the mantle wedge played major roles in continent formation throughout successive episodes of arc accretion in Palaeo- and Mesoarchean times. The Archean rocks of the SJCM shares some similarities with the Pilbara, Kaapvaal, West African, and São Francisco cratons. However, the most reliable comparisons with the SJCM are with the neighbouring basement of the Nigeria and Cameroon shields. © 2012 Elsevier B.V.

Dose-response of diuron [3-(3,4-dichlorophenyl)-1,1-dimethylurea] in the urothelial mucosa of Wistar rats

Diuron [3-(3,4-dichlorophenyl)-1,1-dimethylurea] is a herbicide that induced urothelial tumors in the urinary bladder of Wistar rats fed 2500. ppm during a long-term study. The currently suggested non-genotoxic mode of action (MOA) of diuron encompasses in succession urothelial necrosis induced by direct cytotoxicity, regenerative cell proliferation and sustained urothelial hyperplasia that increases the likelihood of neoplasia development. This study evaluated the dose-response profile of urothelial histological and ultrastructural lesions induced by diuron. Sixty male Wistar rats were fed ad libitum diuron mixed in the diet at 0, 60, 125, 500, 1250, or 2500. ppm for 20 weeks. The incidences of urothelial simple hyperplasia and the cell proliferation index were significantly increased in the diuron-fed 1250 and 2500. ppm groups. By scanning electron microscopy, the incidences and severity of lesions were significantly increased in the 500 and 1250. ppm groups. The incidences of urothelial hyperplasia in the kidney pelvis were significantly increased in the 500, 1250 and 2500. ppm groups. The present study documents the dose-response influence of diuron on the rat urothelium, with a no observed effect level (NOEL) at 125. ppm; 1250. ppm was as effective as 2500. ppm at inducing urothelial lesions. © 2013 Elsevier B.V.

Estudo da correlação entre propriedades não-ôhmicas, processos de relaxação dielétrica e microestrutura de cerâmicas policristalinas do tipo (Ca IND. 1/4 Cu IND. 3/4)TiO IND. 3

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Avaliação do potencial cancerígeno do Diuron [3-(3,4-Diclorofenil)-1,1-Dimetiluréia] no modelo de iniciação-promoção cutânea em camundongos swiss

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo dose-resposta do herbicida diuron[3-(3,4-diclorofenil)-1,1-dimetiluréia] no epitélio da bexiga de ratos Wistar machos

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Adsorção dos íons cobre, cobalto e níquel na superfície organofuncionalizada 3(2-Amino-1,3,4-Tiadiazol) sílica gel, ATDSG

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudo sobre o uso do pentacloreto de nióbio em reações multicomponentes para síntese de derivados de 4-ARIL-3,4-DI-Hidrocumarinas

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Estudo dose-resposta e perfil de expressão gênica do herbicida diuron [3-(3,4-diclofenil)-1,1-dimetiluréia] em bexiga urinária de ratos wistar machos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Carcinogênese de mama em modelo experimental de exposição gestacional, juvenil e adulta ao herbicida Diuron [3(3,4-Diclorofenil)1,1, Dimetil uréia] em fêmeas Sprague-Dawley

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)