Avaliação da liberação de íon fluoreto de cimentos ionoméricos antes e após a recarga e com proteção da superfície

Objective: To evaluate fluoride ion release from two anhydrous glass ionomer cements (GICs) and two resin-modified GICs (RMGICs) before and after recharge with 2% neutral sodium fluoride for 4 min and after surface protection of the Maxxion R GIC with an adhesive system, a cavity varnish and a colorless nail polish. Method: A stainless steel 2x6 mm matrix was used for fabricating 5 specimens of each material, which were immersed in 5 mL of deionized water, renewed every 24 h. Measurements with a potentiometer were performed on days 1, 2, 9 and 17, in the 1st and 2nd phases, and the specimens were buffered with a TISAB III solution. In the 2nd phase, the specimens were subjected to recharge and immersed again in 5 mL of deionized water. In the 3rd phase, the GIC surfaces were protected and readings were made at 5 min, 24 h, 48 h and 72 h. Tukey's post-hoc and Student's t tests were used for statistical analyses (p<0.05). Results: There was statistically significant difference in the comparison between the 1st and 2nd phases for all materials, except at day 2 for Vidrion R and VitroFil LC. In the 3rd phase, it was observed that for all materials, comparison of the first 5 min with the other times revealed statistically significant differences among the means of fluoride ion release. In the comparison with the other times, both the varnish and the colorless nail polish presented statistically significant difference between 24 and 48 h as well as between 24 and 72 h. Conclusion: The anhydrous GICs were more effective in fluoride ion release and recharge compared with the RMGICs. Maxxion R presented a homogeneous and statistically significant behavior in both phases. All materials for surface protection were efficient and the colorless nail polish had the best behavior.

Avaliação, in vitro, da atividade antibacteriana, liberação de fluoreto e capacidade de recarga de cimentos de ionômero de vidro para base forradora

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Kinetic role of a histidine residue in the T1 copper site of the laccase from Rigidoporus lignosus

Laccases (benzendiol:oxygen oxidoreductases; EC 1.10.3.2) catalyze the oxidation of a broad range of substrates, such as polyphenols, dyes and pollutants, and thus these enzymes are widely applied in industrial, biotechnological and environmental fields. In order to improve their biotechnological applications, a deep knowledge of structural factors involved in controlling their activity, in various experimental conditions and on different substrates, is required. In the present study, a laccase from the mushroom Rigidoporus lignosus was kinetically characterized. In particular, the stability, the effects of pH, ionic strength and fluoride ion concentration on the kinetic parameters were investigated, using three di-hydroxy-benzene isomers (1,2-dihydroxy-benzene, 1,3-dihydroxy-benzene and 1,4-dihydroxy-benzene) as substrates. The catalytic constant values of the laccase showed a bell-shaped pH profile, with the same optimum pH and pK(a) values for all tested substrates. This behavior appears to be due to the presence of an ionizable residue in the enzyme active site. To identify this residue, the enzyme was derivatized with diethylpyrocarbonate to modify accessible histidine residues, which, according to structural data, are present in the active site of this enzyme. The kinetic behavior of the derivatized laccase was compared with that of the native enzyme and the derivatized residues were identified by mass spectrometry. Mass spectrometry and kinetic results suggest the main role of His-457 in the control of the catalytic activity of laccase from R. lignosus. (C) 2013 Elsevier B.V. All rights reserved.

Theoretical study of molecular and electronic structures of 5(1) knot systems: two-layered ONIOM calculations

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

Fluoretação das águas de abastecimento público em um município com diferentes fontes de captação

Maintaining the levels of fluoride ion in public water supply within the parameters of adequacy it becomes essential so the measure carries a greater impact on caries prevention and control, without increasing the prevalence of dental fluorosis. Thus, it is necessary a rigorous control of the process, avoiding the undesired effects at levels above recommended levels, as well as avoiding levels below the recommended that do not offer the highest benefit. The aim of this study was to analyze the content of fluoride in public water supply in the city of Birigui, SP, with different sources of supply, checking if the fluoride levels are within the recommended. The samples were collected monthly from points previously established, with the knowledge of the distribution network of water and identifying the amount and location of supply sources and water treatment plant. Analyses were performed in duplicate in the period from January to December of 2009, in the laboratory - NEPESCO - of the Dental School of Araçatuba, Univ Estadual Paulista – UNESP, using an ion analyzer coupled to a specific electrode for fluoride. Of the total samples (n = 512), 44% (n = 224) had adequate levels and 56% (n = 288) inadequate levels, 10% (n = 49) lower levels and 46% (n = 239) showed levels above the recommended. There were differences in results when comparing the analysis of different sources. The fluoride concentration in the majority of the samples from deep wells was classified as inadequate not offering the desired benefit, or exposing the population to the risk of dental fluorosis.

Incorporation of PbF2 into Heavy Metal Oxide Borate Glasses. Structural Studies by Solid State NMR

A series of heavy metal oxide (HMO) glasses with composition 26.66B(2)O(3)-16GeO(2)-4 Bi2O3-(53.33-x)PbO-xPbF2 (0 <= x <= 40) were prepared and characterized with respect to their bulk (glass transition and crystallization temperatures, densities, molar volumes) and spectroscopic properties. Homogeneous glasses are formed up to x = 30, while crystallization of beta-PbF2 takes place at higher contents. Substitution of PbO by PbF2 shifts the optical band gap toward higher energies, thereby extending the UV transmission window significantly toward higher frequencies. Raman and infrared absorption spectra can be interpreted in conjunction with published reference data. Using B-11 and F-19 high-resolution solid state NMR as well as B-11/F-19 double resonance methodologies, we develop a quantitative structural description of this material. The fraction of four-coordinate boron is found to be moderately higher compared to that in glasses with the same PbO/B2O3 ratios, suggesting some participation of PbF2 in the network transformation process. This suggestion is confirmed by the F-19 NMR spectra. While the majority of the fluoride ions is present as ionic fluoride, similar to 20% of the fluorine inventory acts as a network modifier, resulting in the formation of four-coordinate BO3/2F- units. These units can be identified by F-19{B-11} rotational echo double resonance and B-11{F-19} cross-polarization magic angle spinning (CPMAS) data. These results provide the first unambiguous evidence of B-F bonding in a PbF2-modified glass system. The majority of the fluoride ions are found in a lead-dominated environment. F-19-F-19 homonuclear dipolar second moments measured by spin echo decay spectroscopy are quantitatively consistent with a model in which these ions are randomly distributed within the network modifier subdomain consisting of PbO, Bi2O3, and PbF2. This model, which implies both the features of atomic scale mixing with the network former borate species and some degree of fluoride ion clustering is consistent with all of the experimental data obtained on these glasses.

Effect of whitening toothpaste on titanium and titanium alloy surfaces

Dental implants have increased the use of titanium and titanium alloys in prosthetic applications. Whitening toothpastes with peroxides are available for patients with high aesthetic requirements, but the effect of whitening toothpastes on titanium surfaces is not yet known, although titanium is prone to fluoride ion attack. Thus, the aim of the present study was to compare Ti-5Ta alloy to cp Ti after toothbrushing with whitening and conventional toothpastes. Ti-5Ta (%wt) alloy was melted in an arc melting furnace and compared with cp Ti. Disks and toothbrush heads were embedded in PVC rings to be mounted onto a toothbrushing test apparatus. A total of 260,000 cycles were carried out at 250 cycles/minute under a load of 5 N on samples immersed in toothpaste slurries. Surface roughness and Vickers microhardness were evaluated before and after toothbrushing. One sample of each material/toothpaste was analyzed by Scanning Electron Microscopy (SEM) and compared with a sample that had not been submitted to toothbrushing. Surface roughness increased significantly after toothbrushing, but no differences were noted after toothbrushing with different toothpastes. Toothbrushing did not significantly affect sample microhardness. The results suggest that toothpastes that contain and those that do not contain peroxides in their composition have different effects on cp Ti and Ti-5Ta surfaces. Although no significant difference was noted in the microhardness and roughness of the surfaces brushed with different toothpastes, both toothpastes increased roughness after toothbrushing.

Selectivity and Mechanisms Driven by Reaction Dynamics: The Case of the Gas-Phase OH-+CH3ONO2 Reaction

Well-established statistical approaches such as transition-state theory based on high-level calculated potential energy profiles are unable to account for the selectivity observed in the gas-phase OH- + CH3ONO2 reaction. This reaction can undergo bimolecular nucleophilic displacement at either the carbon center (S(N)2@C) or the nitrogen center (S(N)2@N) as well as a proton abstraction followed by dissociation (E(CO)2) pathway. Direct dynamics simulations yield an S(N)2:E(CO)2 product ratio in close agreement with experiment and show that the lack of reactivity at the nitrogen atom is due to the highly negative electrostatic potential generated by the oxygen atoms in the ONO2 group that scatters the incoming OH-. In addition to these dynamical effects, the nonstatistical behavior of these reactions is attributed to the absence of equilibrated reactant complexes and to the large number of recrossings, which might be present in several ion-molecule gas-phase reactions.