Mn 3d bands and Y-O hybridization of hexagonal and orthorhombic YMnO3 thin films.

We report here the O K-edge x-ray absorption spectra of hexagonal and orthorhombic YMnO3 thin films, aiming at comparing the changes in the Mn 3d bands as well as the role of Y 4d-O 2p hybridization. The experimental results were analyzed using first principles (GGA) band structure calculations. The spectra present clear differences in the Mn 3d bands, which are attributed to changes in the Mn-O coordination and symmetry. A strong Y 4d-O 2p hybridization is observed in both the hexagonal and orthorhombic films, and its possible role on the occurrence of the observed ferroelectricity is discussed.

The infrared vibrational intensities and polar tensors of HFCO and DFCO.

The infrared vibrational intensities of HFCO and DFCO have been calculated at the B3LYP/cc-pVTZ, MP2(FC)/6-311++G(3d,3p) and QCISD(FU)/aug-cc-pVTZ levels. All calculations predict the isotopomers to have identical intensity sums, within about 1 km mol(-1). This is in contrast with experimental intensity sum results reported in the literature. Dipole moment derivative directions calculated by the three methods are in excellent agreement for all in-plane normal coordinates. All the theoretical polar tensor elements are also in good agreement with each other having standard deviations varying between 0.003 and 0.043 e. The oxygen and fluorine atoms have negative mean derivatives (approximately -0.6 e), whereas the carbon mean derivative is very positive (approximately +1.1e) and the hydrogen one is almost zero (approximately +0.03 e). The HFCO theoretical intensity sums calculated by all three methods as well as their carbon and oxygen mean dipole moment derivatives are in good agreement with those estimated from the experimental intensities and atomic mean derivatives of H2CO and F2CO.

The infrared intensities and polar tensors of the fluorochloromethanes.

The polar tensors of CF3Cl, CF2Cl2 and CFCl3 have been calculated using recent measurements of their gas phase infrared fundamental intensities. The polar tensors obtained for CF2Cl2 and CFCl3 are in very good agreement with those obtained previously since the more recent experimental intensity results are in good agreement with those reported earlier. For CF2Cl2 rhoC = +1.626, rhoF = -0.577 and rhoCl = -0.26e whereas rhoC = +1.369, 0.478 and rhoCl = 0.297e for CFCl3. However, two sets of significantly different mean dipole moment derivatives are obtained from the experimentally measured intensities of CF3Cl reported by two different laboratories. On the other hand, the differences in the mean derivatives of these two sets are not large enough so that results from electronegativity models, potential models for core ionization energies and quantum chemical calculations at the Moller-Plesset 2 and B3LYP density functional levels are sufficient to indicate which set is the correct one. As such average values of rhoC = +1.907+/-0.178e, rhoF = -0.590+/-0.056e and rhoCl = -0.139+/-0.013e obtained from both sets of polar tensor elements are recommended for the CF33Cl mean dipole moment derivatives.

Frequência de hemoglobinopatia S detectada no Instituto Adolfo Lutz Central e sua importãncia em saúde pública / Frequency of hemoglobinopathie S detected in Adolfo Lutz Institute and its importance on Public Health

A incidência de hemoglobia S foi investigada em 1575 amostras de sangue periférico da rotina hematológica do IAL de março a junho de 1994, através da pesquisa de células falciformes nos esfregaços sanguíneas corados por Leishman, pela prova de falcização com metabissulfito de sódio. No esfregaço de sangue periférico foi observada a presença de células falciformes em 21 lâminas (1,33%). A frequência de positividade nos testes de solubilidade e prova de falcização foi de 3,05% (48 casos), sendo todos confirmados por eletroforese de hemoglobina em acetato de celulose pH 8,6 e em gel de ágar citrato pH 6,2, onde observou-se 2,92% de HbAs e 0,06% de HbSC. Devido a grande miscigenação racial da população brasileira o diagnóstico laboratorial da hemoglobinopatia S torna-se de vital importância em termos de Saúde Pública.

Influencia do controle glicemico na hiperlipemia de mulheres diabeticas (tipo II) / Influency of hyperlipidemia in diabetics women (type II)

Estudamos os niveis sericos de glicose, HbA1c, alfa2 e beta globulinas em 46 mulheres entre 51 e 70 anos, para observar sua correlacao com o perfil lipidico no diabetes mellitus nao insulino dependente, para tentar estabelecer uma associacao entre a hiperlipemia e o controle glicemico inadequado. Dentre os parametros estudados o colesterol total, o HDL-colesterol e os triglicerides se correlacionaram positivamente com a glicemia e as proteinas glicadas nas diabeticas tipo II, o que pode ressaltar o efeito da hiperglicemia no metabolismo lipidico. No nosso estudo houve uma diminuicao de 20 por cento nos niveis de HDL-Col. nas mulheres diabeticas quando comparadas com o grupo controle nao diabetico. Este decrescimo se acentua com a obesidade. Estas diabeticas apresentaram um nivel pouco alterado de colesterol total, com media geral de 243 mg/dl com um risco maior para os problemas cardiovasculares. Observamos tambem um aumento de 2 vezes a media dos niveis de triglicerides, quando comparados com a populacao controle de mesmo sexo, idade e peso semelhantes