Modeling a system of phosphated cross-linked high amylose for controlled drug release. Part 1: Synthesis and polymer characterization

High amylose was cross-linked with sodium trimetaphosphate (STMP) using 2% and 4% solutions of NaOH at room temperature with reaction contact times of 0.5, 1, 2 and 4 h. The different polymers obtained were analyzed by FT IR, C-13 and P-31 solid state NMR, SEM and C, H and P elemental analysis. The results were used to propose a two-stage mechanism for phosphate incorporation, the first being kinetically controlled. (C) 2008 Elsevier Ltd. All rights reserved.

Cutting forces in turning of gray cast iron using silicon nitride based cutting tool

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Discoloration process modeling by neural network

The photo-oxidation of acid orange 52 dye was performed in the presence of H2O2, utilizing UV light, aiming the discoloration process modeling and the process variable influence characterization. The discoloration process was modeled by the use of feedforward neural network. Each sample was characterized by five independent variables (dye concentration, pH, hydrogen peroxide volume, temperature and time of operation) and a dependent variable (absorbance). The neural model has also provided, through Garson Partition coefficients and the Pertubation method, the independent variable influence order determination. The results indicated that the time of operation was the predominant variable and reaction mean temperature was the lesser influent variable. The neural model obtained presented coefficients of correlation on the order 0.98, for sets of trainability, validation and testing, indicating the power of prediction of the model and its character of generalization. (c) 2007 Elsevier B.V. All rights reserved.

Mathematical modeling of the ester oil-refrigerant R134A mixture two-phase flow with foam formation through a small diameter tube

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modeling the dielectric response of lanthanum modified lead zirconate titanate ferroelectric ceramics-an approach to the phase transitions in relaxor ferroelectrics

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

Ultrasonic versus high-speed cavity preparation: Analysis of increases in pulpal temperature and time to complete preparation

Statement of problem. The use of ultrasonic tips has become an alternative for cavity preparation. However, there are concerns about this type of device, particularly with respect to intrapulpal temperatures and cavity preparation time.Purpose. The purpose of this study was to analyze pulpal temperature increases generated by an ultrasonic cavity preparation with chemical vapor deposition (CVD) tips, in comparison to preparation with a high-speed handpiece with a diamond rotary cutting instrument. The time required to complete the cavity preparation with each system was also evaluated.Material and methods. Thermocouples were positioned in the pulp chamber of 20 extracted human third molars. Slot-type cavities (3 x 3 x 2 mm) were prepared on the buccal and the lingual surfaces of each tooth. The test groups were: high-speed cavity preparation with diamond rotary cutting instruments (n = 20) and ultrasonic cavity preparation with CVD points (n = 20). During cavity preparation, the increases In pulpal temperature, and the time required for the preparation, were recorded and analyzed by Student's t test for paired samples (alpha = .05).Results. The average pulpal temperature increases were 4.3 degrees C for the high-speed preparation and 3.8 degrees C for the ultrasonic preparation, which were statistically similar (P = .052). However, significant differences were found (P < .001) for the time expended (3.3 minutes for the high-speed bur and 13.77 minutes for the ultrasound device).Conclusions. The intrapulpal temperatures produced during cavity preparation by ultrasonic tips versus high-speed bur preparation were similar. However, the use of the ultrasonic device required 4 times longer for the completion of a cavity preparation.

Growth mechanism of octahedron-like BaMoO4 microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modeling thermal conductivity, specific heat, and density of milk: A neural network approach

The accurate determination of thermophysical properties of milk is very important for design, simulation, optimization, and control of food processing such as evaporation, heat exchanging, spray drying, and so forth. Generally, polynomial methods are used for prediction of these properties based on empirical correlation to experimental data. Artificial neural networks are better Suited for processing noisy and extensive knowledge indexing. This article proposed the application of neural networks for prediction of specific heat, thermal conductivity, and density of milk with temperature ranged from 2.0 to 71.0degreesC, 72.0 to 92.0% of water content (w/w), and 1.350 to 7.822% of fat content (w/w). Artificial neural networks presented a better prediction capability of specific heat, thermal conductivity, and density of milk than polynomial modeling. It showed a reasonable alternative to empirical modeling for thermophysical properties of foods.

Clustering of rare earth in glasses, aluminum effect: experiments and modeling

Luminescent spectra of Eu3+-doped sol-gel glasses have been analyzed during the densification process and compared according to the presence or not of aluminum as a codoping ion. A transition temperature from hydrated to dehydroxyled environments has been found different for doped and codoped samples. However, only slight modifications have been displayed from luminescence measurements beyond this transition. To support the experimental analysis, molecular dynamics simulations have been performed to model the doped and codoped glass structures. Despite no evidence of rare earth clustering reduction due to aluminum has been found, the modeled structures have shown that the luminescent ions are mainly located in aluminum-rich domains. The synthesis of both experimental and numerical analyses has lead us to interpret the aluminum effect as responsible for differences in structure of the luminescent sites rather than for an effective dispersion of the rare earth ions. (C) 2004 Elsevier B.V. All rights reserved.

Photoluminescence of crystalline and disordered BTO : Mn powder: Experimental and theoretical modeling

Disordered and crystalline Mn-doped BaTiO3 (BTO:Mn) powders were synthesized by the polymeric precursor method. After heat treatment, the nature of visible photoluminescence (PL) at room temperature in amorphous BTO:Mn was discussed, considering results of experimental and theoretical studies. X-ray diffraction (XRD), PL, and UV-vis were used to characterize this material. Rietveld refinement of the BTO:Mn from XRD data was used to built two models, which represent the crystalline BTO:Mn (BTO:Mn,) and disordered BTO:Mn (BTO:Mn-d) structures. Theses models were analyzed by the periodic ab initio quantum mechanical calculations using the CRYSTAL98 package within the framework of density functional theory at the B3LYP level. The experimental and theoretical results indicated that PL is related with the degree of disorder in the BTO:Mn powders and also suggests the presence of localized states in the disordered structure. (c) 2006 Elsevier B.V. All rights reserved.

Modeling hourly diffuse solar-radiation in the city of São Paulo using a neural-network technique

dIn this work, a perceptron neural-network technique is applied to estimate hourly values of the diffuse solar-radiation at the surface in São Paulo City, Brazil, using as input the global solar-radiation and other meteorological parameters measured from 1998 to 2001. The neural-network verification was performed using the hourly measurements of diffuse solar-radiation obtained during the year 2002. The neural network was developed based on both feature determination and pattern selection techniques. It was found that the inclusion of the atmospheric long-wave radiation as input improves the neural-network performance. on the other hand traditional meteorological parameters, like air temperature and atmospheric pressure, are not as important as long-wave radiation which acts as a surrogate for cloud-cover information on the regional scale. An objective evaluation has shown that the diffuse solar-radiation is better reproduced by neural network synthetic series than by a correlation model. (C) 2004 Elsevier Ltd. All rights reserved.

Artificial neural networks for machining processes surface roughness modeling

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Characterization of glycerol kinase from baker's yeast: Response surface modeling of the enzymatic reaction

The present study describes a methodology of dosage of glycerol kinase (GK) from baker's yeast. The standardization of the activity of the glycerol kinase from baker's yeast was accomplished using the diluted enzymatic preparation containing glycerol phosphate oxidase (GPO) and glycerol kinase. The mixture was incubated at 60 degrees C by 15 min and the reaction was stopped by the SDS solution addition. A first set of experiments was carried out in order to investigate the individual effect of temperature (7), pH and substrate concentration (S), on GK activity and stability. The pH and temperature stability tests showed that the enzyme presented a high stability to pH 6.0-8.0 and the thermal stability were completely maintained up to 50 degrees C during 1 h. The K(m) of the enzyme for glycerol was calculated to be 2 mM and V(max) to be 1.15 U/mL. In addition, modeling and optimization of reaction conditions was attempted by response surface methodology (RSM). Higher activity values will be attained at temperatures between 52 and 56 degrees C, pH around 10.2-10.5 and substrate concentrations from 150 to 170 mM.This low cost method for glycerol kinase dosage in a sequence of reactions is of great importance for many industries, like food, sugar and alcohol. RSM showed to be an adequate approach for modeling the reaction and optimization of reaction conditions to maximize glycerol kinase activity. (C) 2007 Elsevier B.V. All rights reserved.

Experimental and theoretical study of workpiece temperature when end milling hardened steels using (TiAl)N-coated and PcBN-tipped tools

The present work shows an experimental and theoretical study on heat flow when end milling, at high-speed, hardened steels applied to moulds and dies. AISI H13 and AISI D2 steels were machined with two types of ball nose end mills: coated with (TiAl)N and tipped with PcBN. The workpiece geometry was designed to simulate tool-workpiece interaction in real situations found in mould industries, in which complex surfaces and thin walls are commonly machined. The compressed and cold air cooling systems were compared to dry machining Results indicated a relatively small temperature variation, with higher range when machining AISI D2 with PcBN-tipped end mill. All cooling systems used demonstrated good capacity to remove heat from the machined surface, especially the cold air. Compressed air was the most indicated to keep workpiece at relatively stable temperature. A theoretical model was also proposed to estimate the energy transferred to the workpiece (Q) and the average convection coefficient ((h) over bar) for the cooling systems used. The model used a FEM simulation and a steepest decent method to find the best values for both variables. (c) 2007 Elsevier B.V. All rights reserved.

Modeling metabolizable energy utilization in broiler breeder pullets

The objective of this study was to determine models for ME requirements for broiler breeder pullets using the factorial method. The influence of the temperature on maintenance ME requirements was determined by experiments conducted in three environmental rooms with temperature kept constant at 15, 22, and 30°C, using the comparative slaughter technique. The energy requirements for weight gain were determined based on the body energy content and efficiency of energy utilization for weight gain. Two ME requirement models for each age were developed using the coefficients for maintenance and weight gain. The models for 3 to 8 wk were ME = W 0.75 (186.52 - 1.94T) + 2.47WG, and ME = W 0.75 (174 - 1.88T) + 2.83WG; for 9 to 14 wk, ME = W 0.75 (186.52 - 1.94T) + 2.69WG, and ME = W 0.75 (174 - 1.88T) + 2.50WG; and 15 to 20 wk, ME = W 0.75 (186.52 - 1.94T) + 2.76WG, and ME = W 0.75 (174 - 1.88T) + 3.24WG. In these equations, W is BW (kg), T is temperature (°C), and WG is daily weight gain (g). These models were compared to the breeder's recommendations in a feeding trial from 5 to 20 wk of age. Models 1 and 2 provided energy intakes that promoted BW smaller than the breeder's recommendation. However, all breeder pullets had weights above the standard recommendation. Model 2 gave the smallest ME intake and BW close to the standard recommendation and provided the best prediction of ME requirements.