Proton magnetic relaxation times and molecular motions in polydimethylsiloxane

The NMR relaxation times T₁ and T₂ have been measured for fractionated samples of polydimethylsiloxane with different molecular weights in the amorphous state and in tetrachloroethylene solutions. The results are interpreted on the basis of the anisotropic reorientation model proposed by Woessner for small molecules. A correlation time characteristic of the diffusional rotation of chain segments is calculated and shown to be proportional to the square root of the bulk viscosity.     

Irreducible representations of the full linear group

We obtain some results on Young diagrams. Based on these results, we construct bases for Young symmetry classes of tensors. Using these bases, we obtain a complete reduction of the representation A ??^mA [A∈GL(n,$\text{C}$] and irreducible matrix representations of the full linear group.     

Antioedematogenic activity,acetylcholinesterase inhibition and antimicrobial properties of Jacaranda oxyphylla

Jacaranda oxyphylla Cham. (Bignoniaceae) is a shrub found in the Brazilian cerrado and used in folk medicine to treat microbial infections. The aim of this study was to carry out a phytochemical screening and evaluate antioedematogenic, antimicrobial and antiacetylcholinesterase properties of J. oxyphylla crude extracts. All extracts analysed showed presence of terpenoids, which are potentially active chemical substances. A high AChE inhibitory activity for hexane extract from leaves and for the extracts from twigs was found. Ethanol extract from leaves of J. oxyphylla showed activity against Gram-positive (Staphylococcus aureus and Bacillus cereus) and Gram-negative (Escherichia coli) bacteria. This extract was also effective in inhibiting the stages of inflammation evaluated. Biological investigation and phytochemical screening of J. oxyphylla extracts provided additional evidence of its traditional medicinal value.     

A high-affinity metal-binding peptide from Escherichia coli HypB

The high-affinity nickel-binding site of the Escherichia coli [NiFe]-hydrogenase accessory protein HypB was localized to residues at the immediate N-terminus of the protein. Modification of a metal-binding fusion protein, site-directed mutagenesis experiments, and DFT calculations were used to identify the N-terminal amine as a ligand as well as the three cysteine residues in the CXXCGCXXX motif. This sequence can be removed from the protein and both a synthesized peptide and a protein fusion bind nickel with a similar affinity and the same structure as the parent metalloprotein, indicating the self-sufficiency of this high-affinity nickel-binding sequence.     

Synthesis and spectral investigation of Al(III) catechin/beta-cyclodextrin and Al(III) quercetin/beta-cyclodextrin inclusion compounds

Al-catechin/beta-cyclodextrin and Al-quercetin/beta-cyclodextrin (beta-CD) inclusion compounds were synthesized and characterized by IR, UV-vis, 1H and 13C NMR and TG and DTA analyses. Because quercetin is sparingly soluble in water, the stability constants of the Al-quercetin/beta-CD and Al-catechin/beta-CD compounds were determined by phase solubility studies. The AL-type diagrams indicated the formation of 1:1 inclusion compounds and allowed calculation of the stability constants. The thermodynamic parameters were obtained from the dependence of the stability constants on temperature and results indicated that the formation of the inclusion compounds is an enthalpically driven process. The thermal decomposition of the solid Al-quercetin/beta-CD and Al-catechin/beta-CD inclusion compounds took place at different stages, compared with the respective precursors, proving that an inclusion complexation process really occurred.     

Phase transition in niobium pentoxide supported on silica-alumina

Nb₂O₅ supported on SiO₂-Al₂O₃ were prepared with a wide loading range (2, 5, 10, 15, 20 and 25 mass%) and analyzed by simultaneous thermogravimetric (TG) and differential thermal analysis (DTA). The materials presented a phase transition close to 1364°C. This phase transition was studied by XRD, FTIR and Raman spectroscopy. Amixture of orthorhombic (T) andmonoclinic (H andM) crystalline phases was evidenced in the supported samples, which is coverage dependent, in contrast to the formation of only the monoclinic phase (H and M) when pure Nb₂O₅ is heated under the same conditions. These results indicate the stabilization of Nb₂O₅ on silica-alumina surface.     

Non-isothermal decomposition kinetics of the interaction of poly(ethylene terephthalate) with alkyd varnish

The recycling of soft drink bottles poly(ethylene terephthalate) (PET) has been used as an additive in varnish containing alkyd resin. The PET, called to recycled PET (PET-R), was added to the varnish in increasing amounts. Samples of varnish containing PET-R (VPET-R) were used as a film onto slides and its thermal properties were evaluated using thermogravimetry (TG). Throughout the visual analysis and thermal behavior of VPET-R it is possible to identify that the maximum amount of PET-R added to the varnish without changing in the film properties was 2%. The kinetic parameters, such as activation energy (E) and the pre-exponential factor (A) were calculated by the isoconversional Flynn-Wall-Ozawa method for the samples containing 0.5 to 2.0% PET-R. A decrease in the values of E was verified for lower amounts of PET-R for the thermal decomposition reaction. A kinetic compensation effect (KCE) represented by the lnA=−13.42+0.23E equation was observed for all samples. The most suitable kinetic model to describe this decomposition process is the autocatalytic Šesták-Berggren, being the model applied to heterogeneous systems.     

Geometric construction of quintic parametric B-splines

The aim of this paper is to present a new class of B-spline-like functions with tension properties. The main feature of these basis functions consists in possessing C³$C^3$ or even C⁴$C^4$ continuity and, at the same time, being endowed by shape parameters that can be easily handled. Therefore they constitute a useful tool for the construction of curves satisfying some prescribed shape constraints. The construction is based on a geometric approach which uses parametric curves with piecewise quintic components.     

A Preparation of enantiomerically enriched axially chiral beta-diketimines: synthesis of (-)- and (+)-IAN amine

The preparation of an enantiomerically enriched beta-diketimine composed of isoquinoline and 2-aminonaphthalene (IAN amine) is described, thereby offering new opportunities in the synthesis of nonracemic beta-diketimine- and pyridine-based chiral catalysts.