Temperature Dependence

The calculation of vibrational properties of materials from their electronic structure is an important goal for materials modeling. A wide variety of physical properties of materials depend on their lattice-dynamical behavior: specific heats, thermal expansion, and heat conduction; phenomena related to the electron-phonon interaction such as the resistivity of metals, superconductivity, and the temperature dependence of optical spectra, are just a few of them. Moreover, vibrational spectroscopy is a very important tool for the characterization of materials. Vibrational frequencies are routinely and accurately measured mainly using infrared and Raman spectroscopy, as well as inelastic neutron scattering. The resulting vibrational spectra are a sensitive probe of the local bonding and chemical structure. Accurate calculations of frequencies and displacement patterns can thus yield a wealth of information on the atomic and electronic structure of materials.

Changes in the dielectric breakdown field of polyimide (PI) films have been studied from 25 to 400 °C under dc ramps. Both the area (from 0.0707 to 19.635 mm 2 ) and thickness (from 1.4 to 6.7 µm) dependences of the dielectric breakdown field have been carried out using the Weibull distribution function. The 63%-breakdown field value (i.e. the -scale parameter) of PI shows a decrease with increasing area, thickness and temperature but always remains above 2 MV/cm. The -scale parameter of the distribution shows a typical decrease with increasing area, however, it exhibits an increase with increasing thickness. This 'curious' behavior is discussed on the basis of the percolation theory. No temperature-dependence is clearly observed. Moreover, physical interpretations are carried out using the pre-breakdown current analysis.

We test for and calibrate a proxy for ocean temperature based on the skeletal composition of the widely distributed, deepsea gorgonians in the family Isididae (bamboo corals), through use of three complementary methods: a short-term comparison of element/Ca ratios to a four-year temperature record, a long-term comparison with oceanographic records spanning forty years, and a geographic comparison of Isidids collected at sites ranging from the tropics to Antarctica. The assays consistently support a temperature-dependency for Mg/Ca ratios and suggest S/Ca is indirectly affected by temperature, but indicate little or no effect of temperature on P/Ca and Sr/Ca. The consensus relationship between Mg/Ca and temperature for Isidid calcite from the comparisons with the temperature time-series is T = À0.505 + 0.048 Mg/Ca, where T is in°C, Mg/Ca is in mmol/mol, and the applicable range is 3-6°C. The results of the geographic assay, though imprecise, suggest the applicable range extends to temperatures below freezing. The scatter of data points around the regression of temperature and Mg/ Ca is wide in all assays. This could reflect the effect of factors other than temperature on Mg/Ca ratios, but is also likely to reflect limitations of the field data, the effects of assumed constant growth rates in the corals and instrumental analytical error. The combined effects of micro-scale variability in growth rates and wide confidence intervals for each data point suggests that environmental reconstruction from Isidid internode calcite from sparse data or at time scales less than decades be done with caution. Comparisons within and among colonies do not indicate strong vital effects on ontogenetic variability in the corals, other than possibly close to the central pore of the coral. However, similar Mg/Ca ratios for Isidids from Antarctic and more temperate regions suggest adaptation to local conditions and hence a role for physiology at higher taxonomic levels, at least. Taxonomically higher level vital effects are also suggested by large differences between gorgonian families in their regressions between Mg/Ca and temperature, by Mg/Ca ratios that overlap over a wide temperature and habitat range, and for a nonlinear relationship between temperature and the slope of the Mg/Ca-temperature relationship across the order.

The compounds RPt 4 B, with (R ¼ La, Ce, Pr, Nd), were synthesized and their crystal structure was studied either by single crystal X-ray diffraction and/or by conventional and synchrotron X-ray powder diffraction. All four compounds of this family are isostructural and belong to the CeCo 4 B structure type. AC-susceptibility and magnetization studies show that: there is no magnetic ordering of the La compound down to 1.7 K; the Ce compound presents an antiferromagnetic-type-transition at 2.4 K; and both Pr and Nd compounds present a ferromagnetic-type transition at 4.2 and 4.9 K, respectively. Electrical resistivity studies show metallic behaviour for all compounds, the temperature dependence for the La compound being described by the Bloch Gruneisen relation. Thermopower studies as a function of temperature show that the thermopower is positive and small for these compounds, which is consistent with hole dominated metallic behaviour.

The long-range and molecular orders and dynamics in codispersions of egg sphingomyelin-cholesterol have been investigated by synchrotron x-ray diffraction and electron spin resonance using phosphatidylcholine spin-labeled at several positions on the sn-2 chain. Mixtures containing 0, 17, 33, 41, 50 mol% cholesterol exhibited a single phase by x-ray diffraction methods. The temperature dependence of the d-spacing between 20 and 50°C is attenuated with increasing proportions of cholesterol, becoming invariant for cholesterol contents of 41 and 50 mol% on completion of the liquid-ordered phase. Electron spin resonance revealed two sites for 17 and 33 mol% cholesterol. One site is highly ordered and the other is less ordered than the fluid phase of pure sphingomyelin as shown by the molecular and the intramolecular order parameters reflecting the segmental motions of the probe. The two-sites exchange rate indicates a mean lifetime of the sites of ;0.1 ms during which the lipid displacement is ;1 nm. The short lifetime of the sites probed by ESR and the single phase detected by x-ray diffraction support in this binary mixture, the building up of the Lo phase by a progressive accumulation of randomly distributed sphingomyelin-cholesterol condensed complexes rather than by diffusional exchange between extended domains.

Trenbolone acetate (TBA) is a synthetic androgenic steroid hormone administered as a subcutaneous implant for growth promotion in beef cattle. The primary metabolite excreted in manure from implanted cattle is 17a-trenbolone with lesser amounts of 17b-trenbolone and trendione also present. At 22°C and favorable moisture conditions in a controlled laboratory environment, trenbolone degrades to trendione in a few hours; however, these conditions are often not what exist in the field. Therefore, aerobic degradation rates of 17a-trenbolone, 17b-trenbolone and trendione were determined in a sandy soil and silty clay loam under a range of temperature and water availability combinations that may be expected in the field. A first-order exponential decay model was used to estimate rates and generally resulted in good model fits to the data. Degradation rates decreased with decreasing water availability (i.e., more negative soil matric potential) and decreasing temperature. However, when water availability was substantially reduced (À1.0 MPa), hotter temperatures (35°C) significantly reduced trenbolone degradation rates. Once temperature was low enough to limit microbial activity, no further changes were observed with decreasing matric potential. Trendione also exhibited similar moisture and temperature dependent degradation, but persisted longer than the parent trenbolone. The latter was discussed in light of extracellular versus intracellular enzymatic degradation and sorption. Half lives at colder temperatures (5°C) even under favorable moisture conditions were 2-3 d for the trenbolone isomers and approached 10 d for trendione.

N O R M A S E M É T O D O S Introdução Durante o processo de extrusão o polímero experimenta uma complicada história térmica . No trajeto inicial da extrusora, as partículas sólidas do polímero são aquecidas até o ponto de fusão. Na região intermediária, a temperatura do polímero fundido é aumentada até um nível considerável acima do ponto de fusão, enquanto as partículas sólidas remanescentes continuam sendo aquecidas até a sua fusão. Na região final da extrusora, o polímero fundido tem que alcançar um estado termicamente homogêneo. Quando o material deixa a extrusora ele é, então, resfriado normalmente até a temperatura ambiente. Pode-se concluir, portanto, que o conhecimento das propriedades térmicas de polímeros é crucial na descrição e análise do processo de extrusão.

We report pressure and temperature dependent electrical resistivity measurements in the Ce 2 Rh 1Àx Ir x In 8 alloys. Our results revealed two phases with zero resistance. One of these phases is induced by pressure, occurring for a range of compositions situated near the Rhrich extreme, consistent with the behavior observed for the pure Ce 2 RhIn 8 compound. The second transition occurs for intermediate concentrations ðx$0:520:7Þ, and in sharp contrast with the first transition, is progressively eliminated by the application of pressure. We compare the findings in the Ce 2 Rh 1Àx Ir x In 8 alloys to its related CeRh 1Àx Ir x In 5 , discussing how the occurrence of the superconducting phases may become unfavorable for the bi-layer alloys due to higher dimensionality and stronger disorder. r

Salmonella enteritidis (SE) is a common foodborne pathogen, the transmission of which is primarily associated with the consumption of contaminated Grade A shell eggs. In order to estimate the level of SE present in raw shell eggs, it is necessary to consider the protective effects of the egg albumin, which effectively inhibits SE growth in a time-and temperature-dependent manner. In this study, a SE growth model was produced by combining two mathematical equations that described both the extended lag phase of SE growth (food component) and a SE growth model (pathogen component). This biphasic growth model was then applied to various egg handling scenarios based on the farm-to-table continuum, including in-line and off-line processing facilities with consideration of key events in production, processing, transportation, and storage. Seasonal effects were also studied. Monte Carlo simulation was used to characterize variability in temperature and time parameter values influencing the level of SE to which individuals are exposed. The total level of SE consumed was estimated under best, most likely, and time -temperature abusive handling scenarios. The model estimated that, in most cases, there was no SE growth in contaminated eggs handled under most likely practices, because 10 -70% of the yolk membrane remained intact. Under abusive handling scenarios, complete loss of yolk membrane integrity frequently occurred by the time eggs reach the distribution phase, followed by subsequent SE growth, which was often quite rapid. In general, the effect of season and processing method (in-line vs. off-line) was minimal. Further sensitivity analysis demonstrated that the initial SE contamination level significantly influenced the final exposure levels only under no-abuse or mildly abusive conditions. The results of our study suggest that, for maximum reduction of SE exposure level, cooling strategies should not only focus on the on-farm or processing phases, but should emphasize the importance of cooling strategies at the distribution and consumer phases of the farm-to-fork continuum. D

An individual-based model of nesting smallmouth bass, Micropterus dolomieu, is used to predict the effects of water level fluctuations on reproductive success. The model simulates daily nest site selection, spawning, nest guarding, and development and survival of eggs, embryos, and larvae until dispersal. The model was configured for Brownlee Reservoir, Idaho-Oregon. Each reservoir bank is represented as a rectangular grid of cells, with each cell characterized by an assigned slope, substrate, and elevation, and by a water depth that varied daily. Nest site (cell) selection is determined from a habitat suitability index (HSI) based on substrate, slope, and depth. Development of young is temperature-dependent. Mortality of young occurs via attrition, abandonment by the guarding male, and probabilistic whole-nest catastrophe. Simulations were performed that used observed data for 1991 to 1996. Model predicted nest habitat selection and egg-to-dispersal survival rates were similar to observed values. Additional model simulations showed that: (1) nest habitat selection was best predicted when depth, slope, and substrate were considered together rather than singly, (2) egg-todispersal survival was related to the magnitude of water level fluctuations during the peak spawning period, (3) relating mortality to HSI values resulted in lower survival, while relating growth to HSI values resulted in higher survival, and (4) spawning habitat is not limiting in Brownlee Reservoir. Suggestions for future monitoring of reservoir-based smallmouth bass populations are discussed.

In this theoretical work the effects of the parameters governing the hydrogen permeation through the dense palladium membranes on the membrane reactor performances are studied. The model for the methane steam reforming was used as test reaction system and the effects of the parameters of the Richardson equation (n, P 0 and E a ), on the reactor performances were studied. The effect of the hydrogen flux pressure and temperature dependence factors on the methane conversion and on the hydrogen recovery for both the co-current and counter-current modes are reported and discussed. ᭧

This work investigated the shear and uniaxial extensional flow behaviour of aqueous casein and phosphated waxy maize starch systems as a function of the deformation rate, biopolymer concentration and the temperature. Trouton ratios were calculated to compare different responses of biopolymers to the shear and extensional deformation. It was found that the casein system (20% w/w) had a much higher and linearly increasing Trouton ratio against the log increase of strain rate. The starch system (35% w/w) had a Trouton ratio close to 3 at low strain rates, but increasing linearly once the strain rate exceeded 2 s À1 . The apparent shear and extensional viscosity showed an exponential increase with the concentration for both biopolymers, with casein being more concentration dependent. Their Trouton ratios were also very much concentration dependent: remained close to 3 at low biopolymer levels, but increased significantly at higher concentrations. Temperature variation experiments demonstrated that the flow properties of casein and waxy maize starch follow an Arrhenius relationship, with casein showing stronger temperature dependence than starch. While casein systems displayed a decrease in Trouton ratio with temperature increase, waxy maize starch had the opposite behaviour. The mixing of casein-waxy maize starch resulted in higher apparent extensional viscosities and higher Trouton ratios than single biopolymer systems. r

Temperature dependent normal modes and lattice thermal expansion of the Sr 2 B'UO 6 (B' = Ni, Co) double perovskites were investigated by Raman/infrared spectroscopies and synchrotron Xray diffraction, respectively. Monoclinic crystal structures with space group P2 1 /n were confirmed for both compounds, with no clear structural phase transition between 10 and 400 K. As predicted for this structure, the first-order Raman and infrared spectra show a plethora of active modes. In addition, the Raman spectra reveal an enhancement of the integrated area of an oxygen stretching mode, which is also observed in higher-order Raman modes, and an anomalous softening of ~1 cm -1 upon cooling below T* ~ 300 K. In contrast, the infrared spectra show conventional temperature dependence. The band profile phonon anomalies are possibly related to an unspecified electronic property of Sr 2 B'UO 6 (B' = Ni, Co).

Diffusion of mass in a solid cylinder with concentration dependent diffusivity (or temperature-dependent thermal conductivity in case of heat diffusion) does not admit of an analytical solution except in special cases. The 'shrinking core model' has been used to develop an approximate analytical solution in certain circumstances. The model, generally useful to describe heterogeneous solid-fluid reactions, is applied to theoretically analyze the adsorption-diffusion phenomena of methylene blue dye in a glass fiber in the present work. Theoretical equations have been derived for the case of diffusivity as an exponential function of concentration. The diffusivity parameters are evaluated by global minimization of the error between the experimental and the theoretical concentration history. Other forms of diffusivity, namely constant diffusivity and diffusivity varying linearly with concentration are found to involve larger errors. A parametric sensitivity analysis of the error has been done. The shrinking core model could satisfactorily interpret the experimental dye concentration profile in the substrate.

In this study, hydrogen sensing properties of nanoporous Pd films based on Anodic Aluminium Oxide (AAO) templates grown on a silicon substrate have been investigated at various temperatures (25–100°C) and hydrogen concentrations (100–1000 ppm) to determine the temperature-sensitivity relationship. For this purpose, a hexagonally shaped AAO template of approximately 50 nm in diameter and 700 nm in length with 80 nm interpore distances was fabricated using two-step anodization of an Al film deposited on an n-type (100) oriented oxidized Si substrate. Then, the nanoporous surface of the AAO template was used as a substrate for supporting a nanoporous Pd film of an approximately thickness of 60 nm. The morphologies of the AAO template and Pd film coated on the AAO template were studied mainly by Scanning Electron Microscopy (SEM). Hydrogen sensing properties of the nanoporous Pd film were measured using a resistance transient method. It was found that the sensor response of the nanoporous Pd films on the AAO template was better than the traditional Pd thin film sensors, the sensitivity of the sensor was approximately 1.8% for 1000 ppm H2, and the detection limit was lower than 100 ppm at room temperature. The highest sensitivity was measured at room temperature.

In the present paper an attempt has been made for the comparative study of different equations of state for silicon (Phase-1, cubic diamond structure) in the pressure range of 0-11 GPa. We compare the results of different equations of state (EOS) with available experimental data. The Kwon and Kim EOS is found to give far better agreement with the available experimental data. Results obtained by Poirier-Tarantola, Vinet, Tait and Suzuki's equations of state are not giving satisfactory agreement with the available experimental data. In the present study simple methods based on thermodynamic functions are presented to investigate the temperature dependence of thermal expansivity and bulk modulus for silicon. The results are reported for silicon. The calculated values of thermal expansivity are in good agreement with experimental data.

This work shows the experimental data of excess properties at several temperatures and the vapor–liquid equilibria (VLE) obtained for four binary systems of alkyl methanoates (methyl to butyl) with decane, all measured at constant pressure of 101.32kPa. The isobaric VLE data were thermodynamically consistent according to the Fredenslund test and did not present an azeotrope. The experimental data of HmE

Characterizing the low energy excited states in the energy landscape of a protein is one of the exciting and demanding problems in structural biology at the present time. These describe the adaptability of the protein structure to external perturbations. In this context, we used here non-linear dependence of amide proton chemical shifts on temperature to identify residues accessing alternative conformations in SUMO-1 in the native state as well as in the near-native states created by sub-denaturing concentrations of urea. The number of residues accessing alternative conformations increases and the profiles of curved temperature dependence also change with increasing urea concentration. In every case these alternative conformations lie within 2 kcal/mol from the ground state, and are separated from it by low energy barriers. The residues that access alternative conformations span the length of the protein chain but are located at particular regions on the protein structure. These include many of the loops, β2 and β5 strands, and some edges of the helices. We observed that some of the regions of the protein structure that exhibit such fluctuations coincide with the protein's binding surfaces with different substrate like GTPase effector domain (GED) of dynamin, SUMO binding motifs (SBM), E1 (activating enzyme, SAE1/SAE2) and E2 (conjugating enzyme, UBC9) enzymes of sumoylation machinery, reported earlier. We speculate that this would have significant implications for the binding of diversity of targets by SUMO-1 for the variety of functions it is involved in.

Four highly crystalline, cobalt-containing microporous aluminophosphates (CoAPO-5, CoAPO-11, CoAPO-44, and CoAPO-46) have been investigated by using liquid He X- and/or Q-band electron spin resonance(ESR) spectroscopy in order to investigate the coordination of high-spin cobalt before and after calcination. The ESR spectra of the four zeolite structures are characterized by an axial signal with an effective g^ ≈ 5.80-5.44 and gII

This paper compares the temperature-dependent Early voltage of a silicon germanium heterojunction bipolar transistor (HBT) to that of a silicon bipolar junction transistor (BJT) fabricated with identical geometry. Derived is an isothermal expression for the forward Early voltage specifically suited to the base composition of a SiGe HBT. The expression includes two fit factors, one for the Si 10x Ge x alloy and the other for the nonuniform doping density. The fit factors are functions of the device temperature and are determined through pulsed bias measurements.

The effect of traditional thermal water blanching, or its combination with a UV-C radiation pre-treatment (11 J/m 2 ), on the inactivation kinetics of peroxidase in zucchini (Cucurbita pepo L.) was carried out in the temperature range of 80 to 98°C, and up to 3 min of processing time. Peroxidase inactivation started being noticed only at temperatures around 85°C. For both treatments, the inactivation kinetics followed a first order reaction with the Arrhenius model describing the temperature dependence of the reaction rate. The obtained kinetic parameters (k Heat 89.6°C = 7.37 × 10 − 7 ± 3.47 × 10 − 7 min − 1 and E a Heat = 925 ± 69 kJ mol − 1 ; k Heat 89.6°C + UV-C = 2.42 × 10 − 5 ± 6.58 × 10 − 6 min − 1 and E a Heat + UV-C = 596 ± 48.8 kJ mol − 1 ) showed that UV-C radiation had a significant contribution to increase the peroxidase degradation rate. These results will help to design new pre-processing conditions for the production of frozen zucchini, using less severe thermal treatments and attempt to minimize quality losses. Industrial relevance: The use of UV-C radiation in processing creates novel methodologies, which can be complementary to classical techniques, providing reduced processing times and increased efficiency. Having been proved to be particularly useful in sterilization of liquids and surfaces, inhibition of microbial population and in decrease of protein synthesis, its application in combination with the traditional blanching may be in favor of less severe heating treatments. The evaluation of the kinetics of zucchini (Cucurbita pepo L.) peroxidase inactivation with the traditional blanching method and combined with ultraviolet radiation suggests that short UV-C treatments may be a useful non-chemical pre-freezing method, allowing the application of shorter blanching times, leading to a product with eventual higher quality retention which is highly relevant to industry.

We investigate the temperature dependence of germanium on silicon p-i-n photodetectors in terms of both dark current density and near-infrared responsivity. The dark current increases by nearly a factor 1.6 every 10 C, consistently with carrier generation in the space charge region. The responsivity has a complex trend, its temperature variation depending on wavelength and on the germanium quality. Detectors with a large defect density in the active layer exhibit a reduced responsivity as the temperature increases.

Dark dynamic impedance versus applied bias voltage characteristics of HgCdTe n þ -p junctions has been modelled here using a recently proposed [Infrared Phys. Technol. 43 (6) (2002) 317-326] analytical approach. The results of the analysis on two pixels from the same array are discussed to illustrate the advantage of this approach in identifying the possible source of variation of diode impedance among the diodes in an array. It has been shown that the contribution of dark current contributing mechanisms can be separated from each other in each diode. An idea of the dominant mechanism of the two sources of the ohmic current, namely surface leakage currents and contribution of dislocations intersecting the junction can also be had from temperature dependent study of shunt impedance.

We present the results of an experiment performed at PSI to investigate muon catalyzed fusion in pure deuterium gas of 5% density (LHD) at temperatures ranging from 28 K to 350 K. Using a new high pressure ionization chamber the reactions dd→ n+ 3 He and ...

Room temperature internal friction (Q sup-1) values of the 0.00002-0.00003 range were achieved with lunar rock 70215,85 by thorough outgassing procedures in ultrahigh vacuum. Results are presented on the temperature dependence of Q-1 as measured in the range 25 C to 600 C along with some data on the change in Q-1 with pressure in ultrahigh vacuum. The temperature dependence shows the existence of an internal friction peak at around 200 C followed at high temperatures by an extensive region with flat Q-1 (approximately 0.001); the work at ultrahigh vacuum shows decreases in the internal friction with decreases in ambient pressure even in the range 10 to the -8 to 10 to the -10 power torr.

This paper describes studies of relaxor ferroelectric Na 1/2 Bi 1/2 TiO 3 (NBT) by inelastic incoherent neutron scattering at temperatures from 50 to 300 K. Experimental time-of-¯ight spectra were recalculated into the generalized vibrational density of states (VDOS) function in terms of one-particle incoherent approximation and compared with the behavior of Raman spectra. It is shown that the VDOS of NBT in the ferroelectric phase has nontrivial temperature dependence. The relation between the temperature dependence of VDOS and the instability of the NBT crystalline lattice below room temperature is discussed.

In this study, rheological properties of several food hydrocolloids (carrageenan, pectin, gelatin, starch and xanthan) were evaluated using a rotational viscometer at three concentrations (1-6%, depending on the type of hydrocolloid) and four temperatures (20, 40, 60 and 80 C). Samples were subjected to a programmed shear rate increasing linearly from 0 to 300 s À1 in 3 min, followed by a steady shear at 300 s À1 for 10 min and finally a linearly decreasing shear rate from 300 s À1 to 0 in 3 min. Experiments were performed in duplicate. In general, the power law model fitted most of the experimental results. Xanthan gum and carrageenan (at 20 o C) were exceptions, characterized by a yield stress and hence the rheograms were fitted with the Herschel-Bulkley model. Furthermore, gelatin showed a Newtonian behavior. Three models (power, exponential and polynomial) were used to evaluate the concentration effect on apparent viscosity. Arrhenius model was used to describe the temperature effect. Among the samples, carrageenan showed the most temperature dependency and xanthan gum, the least.

Epitaxial growth of a metal (CoSi2)/insulator (CaF2) nanometer-thick layered structure on Si(lll) was demonstrated and the resistivity of CoSi2 epilayer in this structure was investigated. An epitaxial CoSi2 layer on CaF2 was obtained by the two-step growth technique, i.e. solid phase epitaxy with the epitaxial Si layer grown in the first step and Co deposited in the second step. This technique was shown to be effective to avoid the Co agglomeration on CaF2 layer observed in the co-evaporation of Si and Co. An epitaxial CaF2 layer was formed on CoSi2/CaF2 at low substrate temperature (450°C) with partially ionized and accelerated CaF2 beam, to avoid Co agglomeration in the CoSi2/CaF2 underlayer as well. Obtained results showed a single-crystalline nature in reflection high-energy electron diffraction (RHEED) and transmission electron microscopy (TEM) observations. The resistivity of a few nm-thickCoSi2 epilayers embedded by CaF2 has been investigated. We studied thickness and annealing temperature dependence of resistivity and showed that a minimum resistivity of 30~tD cm was obtained in a 2 nm-thickCoSi2 sample annealed at 860°C.

Clomipramine hydrochloride (CLP) is an antidepressant drug which shows temperature dependent phase separation, also known as the cloud point (CP). Increase in pH decreases the CP of the drug solution. Addition of ureas/thioureas at a fixed pH (6.25) decreases/increases the CP. In ureas, presence of >C O bond causes a decrease in repulsions among positively charged drug molecules. However, >C S bond (of thioureas) behaves oppositely and hence CP increases. Cationic and non-ionic surfactants form mixed micelles and hence increase the CP. Anionic surfactants, at low concentrations, retard micellization and increase the CP. At higher concentrations, these surfactants also form mixed micelles and, due to charge opposite to the drug molecules, reduce the repulsion among micelles and act as CP suppressors. Increase in solution pH/drug concentration at different fixed concentrations of CTAB causes the CP to decrease/increase. Dye solubilization results with the drug have provided proof to the above explanation.

Knowledge of single crystal and aggregate elastic moduli of materials at high temperature is important in the development of hightemperature structural ceramics as well as for other areas of material sciences. Sound velocities, and hence elastic moduli, can be readily measured on micro-crystals, polycrystalline aggregates and amorphous materials using Brillouin scattering. We have developed techniques for determining the elastic moduli at high temperatures, using both electric resistive heating (to 1800 K) and CO 2 laser heating (to T > 2500 K). The full set of elastic constants of transparent oxides at high temperatures can be measured on samples with dimensions of 100 × 100 × 20 m or even smaller. Compact resistance heaters of our design were used to study the temperature dependence of the elastic moduli of a variety of crystalline oxides and glasses, and can be used to observe high-temperature phase transitions involving elastic softening. The combination of Brillouin scattering with CO 2 laser heating allows measurements of the elastic moduli of oxides at even higher temperatures, approaching the melting points of refractory materials. The acoustic velocities of single-crystal MgO were measured to a maximum temperature exceeding 2500 ± 100 K. Both Brillouin and Raman measurements were performed on CO 2 laser-heated samples of single-crystal ␣-Al 2 O 3 to temperatures exceeding 2000 ± 100 K. Our results show that Brillouin scattering coupled with CO 2 laser heating is a viable means of performing sound velocity measurements at temperatures significantly higher than those readily made using resistance heating.

We have measured fission fragment-mass yields for neutron-induced fission of 232 Th and 238 U at energies 32.8, 45.3, and 59.9 MeV. The experiments were done at quasimonoenergetic neutron beams of the Cyclotron Research Center at Louvain-la-Neuve. To detect the fission fragments, a multisection Frisch-gridded ionization chamber was used. The measurement and data analysis techniques are discussed in detail. The obtained mass yields are compared to model calculations with the intermediate-energy nuclear reaction code MCFX. The MCFX code is used to calculate the fraction of fissioning nuclei after cascade, preequilibrium, and statistical reaction stages. The formation of mass distributions is considered as a result of oscillations of the mass-asymmetry degree of freedom in the potential well calculated with the temperature-dependent shell correction method. The experimental results as well as the results of the model calculations demonstrate that the probability of symmetric fission increases with incident neutron energy for both nuclei. The comparison also shows that the symmetric fission is more enhanced for thorium than for uranium with increasing neutron energy. We also compare 238 U results with available experimental data; the 232 Th data were measured for the first time.

Cryopreservation currently is the only method for long-term preservation of cellular viability and function for uses in cellular therapies. Characterizing the cryobiological response of a cell type is essential in the approach to designing and optimizing cryopreservation protocols. For cells used in therapies, there is significant interest in designing cryopreservation protocols that do not rely on dimethyl sulfoxide (Me 2 SO) as a cryoprotectant, since this cryoprotectant has been shown to have adverse effects on hematopoietic stem cell (HSC) transplant patients. This study characterized the cryobiological responses of the human erythroleukemic stem cell line TF-1, as a model for HSC. We measured the osmotic parameters of TF-1 cells, including the osmotically-inactive fraction, temperature-dependent membrane hydraulic conductivity and the membrane permeability to 1 M Me 2 SO. A two-step freezing procedure (interrupted rapid cooling with hold time) and a graded freezing procedure (interrupted slow cooling without hold time) were used to characterize TF-1 cell recovery during various phases of the cooling process. One outcome of these experiments was high recovery of TF-1 cells cryopreserved in the absence of traditional cryoprotectants. The results of this study of the cryobiology of TF-1 cells will be critical for future understanding of the cryobiology of HSC, and to the design of cryopreservation protocols with specific design criteria for applications in cellular therapies.

The irradiation response of PH13-8Mo stainless steel was measured up to 2.5 dpa at 200 and 300°C irradiation temperatures. The PH13-8Mo, a martensitic precipitation-hardened steel, was produced by Hot Isostatic Pressing at 1030°C. The fatigue tests (high cycle fatigue and fatigue crack propagation) showed a test temperature dependency but no irradiation effects. Tensile tests showed irradiation hardening (yield stress increase) of approximately 37% for 200°C irradiated material tested at 60°C and approximately 32% for 300°C irradiated material tested at 60°C. This contradicts the shift in reference temperature (T 0) measured in toughness tests (Master Curve approach), where the DT 0 for 300°C irradiated is approximately 170°C and the DT 0 for the 200°C irradiated is approximately 160°C. This means that the irradiation hardening of PH13-8Mo steel is not suitable to predict the shift in the reference temperature for the Master Curve approach.

Information about the times of thermal breakthrough and subsequent rates of thermal drawdown in enhanced geothermal systems (EGS) is necessary for reservoir management, designing fracture stimulation and well drilling programs, and forecasting economic return. Thermal breakthrough in heterogeneous porous media can be estimated using conservative tracers and assumptions about heat transfer rates; however, tracers that undergo temperature-dependent changes can provide more detailed information about the thermal profile along the flow path through the reservoir. To be effectively applied, the thermal reaction rates of such temperature sensitive traces must be well characterized for the range of conditions that exist in geothermal systems. Reactive tracers proposed in the literature include benzoic and

The amyloid b-peptide (Ab) is the major component of the amyloid plaques found in the extracellular compartment in the brains of patients suffering from Alzheimer's disease. The Ab-peptide is a 39-42-residue peptide with the sequence: DAEFRHDSGYEVHHQ KLVFFAEDVGSNKGAIIGLMVGGVVIA(1-42). It is cleaved from the Alzheimer's precursor protein by the proteases band c-secretase [1,2]. The Ab(1-40) peptide has a hydrophilic N-terminal region and a more hydrophobic C-terminal region. The peptide contains a central hydrophobic cluster, residues 17-21, which is suggested to play an important role in peptide aggregation [3]. There is experimental evidence that soluble oligomeric aggregates have toxic effects on neurons and synapses [1,4]. The aggregation involves a conformational change of the peptide structure to b-sheet. Solid state NMR spectroscopy has shown that fibrils of Ab contain parallel b-sheet structure, whereas shorter fragment fibrils consist of antiparallel b-sheet structure [5,6]. In vitro, the Ab monomer is in a dominating random coil secondary structure in solution at room temperature and physiological pH [7-9].

Spin-polarized photoemission was employed to investigate the temperature dependence of the exchange splitting of Gd(0001) for both the surface state near the Fermi level Fr and the 5d bulk bands. The bulk bands at 1-2 eV below EF show Stoner-like behavior where two peaks with opposite spin polarization shift toward each other as the temperature increases. In contrast, the temperature dependence of the surface state indicates spin-mixing behavior due to fluctuating local moments. These differences are attributed to the degree of itinerancy of the 5d electrons in the two cases.

Ablative materials can sustain very high temperatures in which surface thermochemical processes are significant enough to cause surface recession. Existence of moving boundary over a wide range of temperatures, temperature-dependent thermophysical properties of ablators, and no prior knowledge about the location of the moving surface augment the difficulty for predicting the exposed heat flux at the receding surface of ablators. In this paper, the conjugate gradient method is proposed to estimate the unknown surface recession and time-varying net surface heat flux for these kinds of problems. The first order Tikhonov regularization is employed to stabilize the inverse solution. Considering the complicated phenomena that are taking place, it is shown via simulated experiment that unknown quantities can be obtained with reasonable accuracy using this method despite existing noises in the measurement data.

This article presents an investigation of the temperature induced modification in the microstructure and dynamics of poly[2-methoxy-5-(2 0 -ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) cast films using Wide-Angle X-ray Scattering (WAXS), solid-state Nuclear Magnetic Resonance (NMR), and Fluorescence Spectroscopy (PL). MEH-PPV chain motions were characterized as a function of temperature by NMR. The results indicated that the solvent used to cast the films influences the activation energy of the side-chain motions. This was concluded from the comparison of the activation energy of the toluene cast film, E a = (54 ± 8) kJ/mol, and chloroform cast film, E a = (69 ± 5) kJ/mol, and could be attributed to the higher side-chain packing provided by chloroform, that preferentially solvates the side chain in contrast to toluene that solvates mainly the backbone. Concerning the backbone mobility, it was observed that the torsional motions in the MEH-PPV have average amplitude of $10°at 300 K, which was found to be independent of the solvent used to cast the films. In order to correlate the molecular dynamics processes with the changes in the microstructure of the polymer, in situ WAXS experiments as a function of temperature were performed and revealed that the interchain spacing in the MEH-PPV molecular aggregates increases as a function of temperature, particularly at temperatures where molecular relaxations occur. It was also observed that the WAXS peak associated with the bilayer spacing becomes narrower and its intensity increases whereas the peak associated with the interbackbone planes reduces its intensity for higher temperatures. This last result could be interpreted as a decrease in the number of aggregates and the reduction of the interchain species during the MEH-PPV relaxation processes. These WAXS results were correlated with PL spectra modifications observed upon temperature treatments.

Intermediate conformations are crucial to our understanding of how proteins fold into their native structures and become functional. Conventional spectroscopic measurements of thermal denaturation transitions allow the detection of equilibrium intermediates but often provide little structural detail; thus, application of more informative techniques is required. Here we used small-angle X-ray scattering (SAXS) to study the thermal denaturation of four variants of Anabaena PCC 7119 flavodoxin, including the wild-type apo and holo forms, and two mutants, E20K/E72K and F98N. Denaturation was monitored from changes in SAXS descriptors. Although the starting and final points of the denaturation were similar for the flavodoxin variants tested, substantial differences in the unfolding pathway were apparent between them. In agreement with calorimetric data, analysis of the SAXS data sets indicated a three-state unfolding equilibrium for wild-type apoflavodoxin, a two-state equilibrium for the F98N mutant, and increased thermostability of the E20K/E72K mutant and holoflavodoxin. Although the apoflavodoxin intermediate consistently appeared mixed with significant amounts of either native or unfolded conformations, its SAXS profile was derived from the deconvolution of the temperature-dependent SAXS data set. The apoflavodoxin thermal intermediate was structurally close to the native state but less compact, thereby indicating incipient unfolding. The residues that foster denaturation were explored by an ensemble of equilibrium ϕ-value restrained molecular dynamics. These simulations pointed to residues located in the cofactor and partner-protein recognition regions as the initial sites of *Corresponding authors. denaturation and suggest a conformational adaptation as the mechanism of action in apoflavodoxin.