Simulation of alpha particle emitted by 222Rn from natural spring water in Puebla, México.

A computational simulation of alpha-particle expansion, emitted by 222Rn naturally diluted in the water of a spring located in the state of Puebla Mexico, is presented. This simulation provided information on the volume of expansion of the alpha particles in the vicinity of the spring and thus awareness if there was a radiological risk for the users or the population that lived near to it. Before performing the simulation, several measurements were made to water samples with a dynamic measurement system. This in order to know the level of radon concentration and compare the results obtained with the levels recommended by the United States Environmental Protection Agency (US-EPA) and the World Health Organization (WHO). In addition, to know if there was a radiological risk due to the presence of gamma emitting radionuclides, complementary water analyses were carried out using gamma-ray spectrometry techniques. The simulation was developed using the scientific software of particle interaction with matter, Geant4. The different variables declared for the software parameters are presented in this document. The results of the radon measurements in the water and the computational simulation, determined that there was no radiological risk due to alpha radiation. Furthermore, the results from the gamma-ray spectrometer showed that there was no presence of other hazardous radionuclides in the water.

Green chemistry synthesis of nano-cuprous oxide.

Green chemistry and a central composite design, to evaluate the effect of reducing agent, temperature and pH of the reaction, were employed to produce controlled cuprous oxide (Cu2O) nanoparticles. Response surface method of the ultraviolet-visible spectroscopy is allowed to determine the most relevant factors for the size distribution of the nanoCu2O. X-ray diffraction reflections correspond to a cubic structure, with sizes from 31.9 to 104.3 nm. High-resolution transmission electron microscopy reveals that the different shapes depend strongly on the conditions of the green synthesis.

Simple one-step ultrasonic synthesis of anatase titania/polypyrrole nanocomposites.

In this work, hybrid nanocomposites based on anatase titania:polypyrrole (TiO(2):PPy) were directly obtained from a simple, one-step, ultrasonic (UT)-assisted synthesis. The properties of these crystalline nanocomposites were compared with those of others fabricated using cold (Cold)-assisted synthesis without any UT assistance, which required a hydrothermal treatment (HT) to yield crystalline anatase titania in the nanocomposite (TiO(2):PPy) at low temperature (130°C) and in a short time (3h). The SEM results demonstrated that the UT-assisted synthesis is a feasible method to obtain anatase TiO(2):PPy nanocomposites with controlled morphology using low energy. The Fourier transform infrared (FT-IR) bands of the crystalline nanocomposites exhibited a shift with respect to neat components, which was attributed to the strong interaction between the secondary amine groups (N-H) of PPy and the oxygen from TiO(2). The acceptable absorption in the visible region (λ(max)=670nm) indicates that these nanocomposites are good candidates for harvesting energy in solar cells. Devices based on these nanocomposites were built to evaluate their electrical properties. An increase in the photocurrent was observed for the devices prepared with the nanocomposites from the UT-assisted synthesis.

Novel Crystalline SiO(2) Nanoparticles via Annelids Bioprocessing of Agro-Industrial Wastes.

The synthesis of nanoparticles silica oxide from rice husk, sugar cane bagasse and coffee husk, by employing vermicompost with annelids (Eisenia foetida) is reported. The product (humus) is calcinated and extracted to recover the crystalline nanoparticles. X-ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM) and dynamic light scattering (DLS) show that the biotransformation allows creating specific crystalline phases, since equivalent particles synthesized without biotransformation are bigger and with different crystalline structure.

Synthesis of conducting polyaniline nanofibers from single and binary dopant agents.

Conducting polyaniline nanofibers (nf-PANI) were successfully synthesized by simple polymerization of aniline in presence of single and binary dopant agents. Strong hydrochloride acid (HCl), two weak organic acids (poly acrylic acid, PAA, 2-acrylamido-2-methyl-1-propanesulfonic acid, AMPSA) and one anionic surfactant (sodium dodecyl sulfate, SDS) were used to form the binary dopant agents. The binary dopant agent PAA modified the morphology of the single doped PANI, whereas AMPSA and SDS modified the dimensions of the nanofibers: the length size single nanofibers is reduced 1.72 times with binary-doped AMPSA and increased by a factor of 0.7 with SDS. The surface roughness of the films decreases when the dimensions of the nanofibers increase: PANI-SDS film is flatter than PANI-AMPSA film. In general, the conductivity of the single-doped PANI nanofibers (nf-PANI-HCl) was improved by one order of magnitude with binary dopant agents (HCI-PAA, HCl-AMPSA, HCl-SDS). The influence of the binary dopant agents in the nf-PANI-HCl properties is analyzed by Transmission Electron Microscope (TEM), Atomic Force Microscopy (AFM), UV-VIS absorption spectra, thermogravimetric analysis (TGA) and Fourier-Transform infrared spectra (FT-IR).

Thermoluminescence of Tequila-based nanodiamond.

Nanodiamond thin films were deposited onto Si (100) substrates using Tequila as precursor by pulsed-liquid injection chemical vapour deposition at 850 degrees C. Some samples were exposed to beta particle irradiation in the dose range from 100 to 1600 Gy, and it was found that the thermoluminescence (TL) response is a linear function of dose. The glow curve displays two maxima centred at 170 and 350 degrees C, which does not shift when dose changes, indicating that first-order kinetics processes are involved. From the results, it is concluded that the new nanodiamond films are promising high-dose TL dosimeters.

Indomethacin polymorphs: Experimental and conformational analysis.

Thermal analysis of indomethacin alpha and gamma polymorphs presents a temperature transition at 429.2 and 435.8 K, respectively, although with X-ray diffraction or near infra-red spectroscopy phase transformations were not registered. DSC method for the indomethacin amorphous solid shows an endothermic event; however, the conformational analysis at higher temperature shows a rotational change which may explain such endothermic peak. By heating the gamma polymorph at 483 K (210 degrees C) for 30 min and then quenching into liquid nitrogen the amorphous solid was obtained. The alpha form shows the highest intrinsic dissolution rate, while the lowest rate was for the amorphous indomethacin. Theoretical calculations (ab initio, Hartree-Fock and density functional theory, DFT) indicate that the double interaction is responsible for the observed difference in solubility.

Acoustic behavior of ordered droplets in a liquid: a phase space approach.

The transmission of an acoustical signal through a spatial arrangement consisting of a bidimensional crystal of droplets (liquid spheres) immersed into another liquid is analyzed. As a first approximation, the paraxial case is solved by considering a set of acoustical lenses which allow us to model the effect of each droplet on the signal. An expression for the Wigner distribution function that lets us evaluate the corresponding image, diffraction pattern, and even the output signal of any given paraxial input signal to that crystalline substrate is obtained, with particular emphasis on the case of an incoming plane wave. To solve the nonparaxial situation, a generalization of the concept of focal distance interpreting every sphere as a superposition of concentric rings of different radius, which permits us to find a general expression for the Wigner distribution function is proposed.

Fourier transform infrared and Raman spectra. Semi empirical AM1 and PM3; MP2/DZV and DFT/B3LYP-6-31G(d) ab initio calculations for dimethylterephthalate (DMT).

Fourier transform infrared and Raman spectra of dimethylterephthalate (DMT), as microcrystalline powder, have been investigated. The vibrational spectra were calculated using the AM1 and PM3 semi empirical procedures, and the Møller-Plesset (MP2/DZV), and the Becke-Lee, Yang and Parr gradient-corrected correlation functional: B3LYP/6-31G(d) ab initio calculations. On this basis, and assisted with the FT-IR and Raman spectra of the terephthalic acid, an assignment of the vibrational spectra of dimethylterephthalate was proposed. In the calculations, remarkable differences concerning the assignments of the vibrational spectra were noted between the AM1 and PM3 methods. Also, the ab initio procedure shows differences in interpreting the spectra compared with the semi empiric procedures, and among themselves. Calculated geometrical parameters were compared with the experimental values of dimethylterephthalate, diethylterephthalate and terephthalic acid.

Characterization of bones by speckle interferometry.

Speckle photography interferometry (SPI) is used to evaluate the stress-strain behaviour of animal bones under loads by recording the speckle fields generated on the bone surface and thus finding the relationship between the fractal dimension D(s) and the compression load P. The procedure consists of application of slow and monotonous compression loads, and recording of the deformation levels and vertical displacements of the specimen. A He-Ne laser beam directed at the surface of bone specimen produces light scattering which generates the speckle. The optical fields show significant differences before and after fracture, due to the changes of the bone surface generated by the strain. Our results support previous suggestions of a relationship between fractal characteristics and parameters related to the mechanical behaviour of materials.

Nanoparticle-enhanced thermoluminescence in silica gels.

The results of transmission electron microscopy and thermoluminescence (TL) studies in silica samples containing Fe and Cu nanosized particles show an important enhancement of their TL response when compared with known reports for pure silica samples. The effect of surface electronic states in the nanoparticles, interacting with the matrix, may be responsible for this new size-dependent effect.

Fourier transform infrared and raman spectra, vibrational assignment and ab initio calculations of terephthalic acid and related compounds.

The Fourier transform infrared and Raman spectra of solid terephthalic acid, p-C6H4(COOH)2, have been recorded, and the Fourier transform Raman spectra for the terephthalate anion were measured. The wavenumbers for the band positions have been calculated in order to assign them. Moller-Plesset (MP2) and Density functional theory (DFT) calculations have been carried out with Huzinaga-Dunning basis sets (DZV). Also, a normal coordinate analysis through the Wilson-El'yashevich method was performed. The differences between the calculated ab initio spectra and the spectra of the solid phase have been interpreted with respect to the different C(2h) and C(i) local symmetry in the gas and in the solid phase, respectively, and considering also the formation of long-chains of terephthalic acid in the solid phase. In spite to the absence of experimental data for the cis conformation, calculations have been carried out and structural parameters and infrared intensities have been evaluated for the trans and cis conformations of terephthalic acid.

Hydroxyapatite spheres with controlled porosity for eye ball prosthesis: processing and characterization.

Porous hydroxyapatite spheres were prepared by a modified gelcasting method producing a ceramic prosthesis with controled porosity. The spheres are approximately 2.2 cm in diameter with a relatively homogeneous pore size distribution from 10 to 40 microm in diameter. The samples were characterized by X-ray powder diffractometry (XRD) and Fourier transform infra-red spectroscopy (FTIR) to identify the phases both prior to and after the gelcasting process. Surface morphology analysis and porosity evaluations were performed with scanning electron microscopy (SEM), while surface area measurements were carried out by the BET technique.

Particle-induced X-ray emission and scanning electron microscopic analyses of the effects of CO2 laser irradiation on dentinal structure.

OBJECTIVES: The purpose of this study was to analyze the physico-chemical changes present on the dentinal surface after using CO2 laser irradiation, and to determine whether or not it is possible to seal the dentinal tubules. METHODS: Thirty human-extracted first premolars were obtained for this study. A Class V cavity was prepared on the buccal surface of all the specimens with a carbide pear-shaped bur, using a conventional high speed handpiece. Fifteen premolars (experimental group) were irradiated with a CO2 laser (with a wavelength of 10.6 microm, 2 W, 10 J, 0.2 s, 25 pulses). The remaining 15 premolars were used as the control group. RESULTS: Scanning electron microscopy showed that the effect of laser energy on dentin varied from charring, cratering, poring, fissuring, fracturing and cracking up to melting; also, the dentinal tubules were not sealed, in contrast with the control group in which the dentinal surfaces were more homogeneous. Particle-induced X-ray emission results showed that the irradiated dentinal surface presented a decrease in calcium content and an increase in phosphorous content, possibly due to a vaporization process which occurred during the irradiation. CONCLUSION: The physicochemical changes observed on the irradiated dentinal surface suggest that changes in the hydroxyapatite crystal structure take place, and that these structural changes may be responsible for the observed effects.

In vitro quantitative assessment of enamel microhardness after exposure to eroding immersion in a cola drink.

Studies assessing the erosive potential of soft drinks have employed long time intervals of immersion that may not accurately depict the impact of frequent soft drink consumption on enamel. This in vitro study assessed the effect of a cola drink on enamel, replicating an actual drinking pattern. Six groups of 4 human enamel slabs were immersed (5 min each bath) in fresh cola drink, with immersions taking place with or without agitation, and under 3 regimes of frequency intake (low intake, 1 immersion/day; medium, 5/day; high, 10/day). Quantitative assessments of surface erosion were done over an 8-day interval using surface microhardness testing (Vickers). Results showed a sharp decrease from baseline (mean value 352.1 Vickers Hardness Number, SD 32.5) to day 1 (269.3, SD 41.0) and then continued decreasing throughout the assay, although less markedly, to reach 204.5, SD 45.4 on day 8. Microhardness decreased regardless of frequency regime, except on day 8, on which slabs from the low intake group were harder (233.2, SD 25.0) than slabs from the high intake group (169.8, SD 49.5; p < 0.05). Results from the ANOVA on the factorial experiment indicated that the role of agitation was statistically significant (d.f. = 1, F = 7.2, p = 0.020) while the level of intake was of borderline significance (d.f. = 2, F = 3.2, p = 0.075). The main effect resulting from the joint roles of agitation and intake indicated that there was an important interaction between the two variables (d.f. = 3, F = 4.5, p = 0.023).

High resolution electron microscopy of bis-(-2-hydroxyethyl)terephthalate crystalline polymers.

High resolution transmission electron microscopy (HRTEM) studies of Bis-(2-hydroxyethyl)terephthalate (BHET) crystals, prepared by a novel method which allows one to obtain large crystallites (of the order of several centimeters) are reported. The details of the crystallography, including polymorphism, as determined by X-ray diffractometry and infrared spectroscopy and their relation to the micrographs and electron diffraction results are discussed.

Chemistry and sintering behaviour of thin hydroxyapatite ceramics with controlled porosity.

Hydroxyapatite ceramic tapes (several hundred micrometres thick), have been prepared at different porosity levels, using the tape casting technique. The reactions, which occur during processing and sintering of the tapes, have been characterized by power X-ray diffraction analysis, differential thermal analysis (DTA), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). Volume changes have been measured during different stages of heat treatment. These can be attributed to phase transformations of the starting materials, which determine the sintering behaviour and final porosity of the samples. Measurements of the elastic modulus were performed by the resonant frequency method. A cubic dependence on the relative density is found. Finally, some possible improvements for the technique and selection of powders are suggested, based on the reported results.

A phase-space approach to x-ray optics.

The basic concepts and properties of some phase-space mathematical functions, in particular of the Wigner distribution function, are reviewed. Then, the propagation and diffraction of x rays are considered from the point of view of the Wigner function, resulting in a simple method consisting in coordinate shifts in phase space, which can be easily implemented in a personal computer. The applications of this tool to x-ray technology are also discussed.