Effect of operating conditions and fuel type on crevice hc emissions: Model results and comparison with experiments

A one-dimensional model for crevice HC post-flame oxidation is used to calculate and understand the effect of operating parameters and fuel type (propane and isooctane) on the extent of crevice hydrocarbon and the product distribution in the post flame environment. The calculations show that the main parameters controlling oxidation are: bulk burned gas temperatures, wall temperatures, turbulent diffusivity, and fuel oxidation rates. Calculated extents of oxidation agree well with experimental values, and the sensitivities to operating conditions (wall temperatures, equivalence ratio, fuel type) are reasonably well captured. Whereas the bulk gas temperatures largely determine the extent of oxidation, the hydrocarbon product distribution is not very much affected by the burned gas temperatures, but mostly by diffusion rates. Uncertainties in both turbulent diffusion rates as well as in mechanisms are an important factor limiting the predictive capabilities of the model. However, it seems well suited to sensitivity calculations about a baseline. Copyright © 1999 Society of Automotive Engineers, Inc.

Ferromagnetism in Mn and Cr doped GaN by thermal diffusion

Doping of magnetic element Mn and Cr in GaN was achieved by thermal diffusion. The conductivity of the samples, which were all n-type, did not change significantly after the diffusion doping. X-ray diffraction measurements revealed no secondary phase in the samples. Experiments using superconducting quantum interference device (SQUID) showed that the samples were ferromagnetic at 5 and 300 K, implying the Curie temperature to be around or over 300 K, despite their n-type conductivity. (c) 2004 Elsevier B.V. All rights reserved.

Diffusion and single molecule dynamics on biomolecular interface binding energy landscape

We propose a new approach to study the diffusion dynamics on biomolecular interface binding energy landscape. The resulting mean first passage time (MFPT) has 'U'curve dependence on the temperature. It is shown that the large specificity ratio of gap to roughness of the underlying binding energy landscape not only guarantees the thermodynamic stability and the specificity [P.A. Rejto, G.M. Verkhivker, in: Proc. Natl. Acad. Sci. 93 (1996) 8945; C.J. Tsai, S. Kumar, B. Ma, R. Nussinov, Protein Sci. 8 (1999) 1181; G.A. Papoian, P.G. Wolynes, Biopolymers 68 (2003) 333; J. Wang, G.M. Verkhivker, Phys. Rev. Lett. 90 (2003) 198101] but also the kinetic accessibility. The complex kinetics and the associated fluctuations reflecting the structures of the binding energy landscape emerge upon temperature changes. The theory suggests a way of connecting the models/simulations with single molecule experiments by analysing the kinetic trajectories.

First-passage time distribution and non-Markovian diffusion dynamics of protein folding

We study the kinetics of protein folding via statistical energy landscape theory. We concentrate on the local-connectivity case, where the configurational changes can only occur among neighboring states, with the folding progress described in terms of an order parameter given by the fraction of native conformations. The non-Markovian diffusion dynamics is analyzed in detail and an expression for the mean first-passage time (MFPT) from non-native unfolded states to native folded state is obtained. It was found that the MFPT has a V-shaped dependence on the temperature. We also find that the MFPT is shortened as one increases the gap between the energy of the native and average non-native folded states relative to the fluctuations of the energy landscape. The second- and higher-order moments are studied to infer the first-passage time distribution. At high temperature, the distribution becomes close to a Poisson distribution, while at low temperatures the distribution becomes a Levy-type distribution with power-law tails, indicating a nonself-averaging intermittent behavior of folding dynamics. We note the likely relevance of this result to single-molecule dynamics experiments, where a power law (Levy) distribution of the relaxation time of the underlined protein energy landscape is observed.

Diffusion dynamics, moments, and distribution of first-passage time on the protein-folding energy landscape, with applications to single molecules

We study the dynamics of protein folding via statistical energy-landscape theory. In particular, we concentrate on the local-connectivity case with the folding progress described by the fraction of native conformations. We found that the first passage-time (FPT) distribution undergoes a dynamic transition at a temperature below which the FPT distribution develops a power-law tail, a signature of the intermittent nonexponential kinetic phenomena for the folding dynamics. Possible applications to single-molecule dynamics experiments are discussed.

INFLUENCE ON THE THIN-LAYER SPECTROELECTROCHEMISTRY - DIFFUSION WITHIN A THIN-LAYER CELL

The potential step and cyclic voltammetric experiments in the thin layer cell were studied by the digital simulation method in this work. A relationship between the time needed for exhaustive electrolysis of the electroactive species and the thickness of the thin layer cell was obtained. On the basis of this formula, the lower time limit for a kinetic plot of the following chemical reaction can be estimated. For the cyclic voltammetry, a semiempirical formula was derived for the peak-peak potential difference (Delta Ep) in terms of the sweep rate (v), thickness of the cell (d), diffusion coefficient (D) and electron transfer number (n) 59 - n Delta Ep/n Delta Ep = 0.328(RT D/nF vd(2))(1.20).

CHRONOAMPEROMETRIC STUDIES ON MIGRATION AND DIFFUSION OF COUNTERION IN POLY(3-METHYLTHIOPHENE)

Small amplitude potential step experiments were carried out to study the counterion transfer process in oxidized poly(3-methylthiophene) (PMT) film. The results demonstrate that anion transfer process in PMT film is migration rather than diffusion. A porous metal electrode model-single hole model, which takes into account both the ionic resistance of the film and the uncompensated solution resistance, was found suitable to describe the potential step experiments. According to this model, the ionic resistivity of oxidized PMT film was calculated to be 5.0 x 10(4) OMEGA.cm, and, in turn, the diffusion coefficent of ClO4- ion in PMT film 3.7 x 10(-9) cm2/s.

BOLD signal compartmentalization based on the apparent diffusion coefficient.

Functional MRI (fMRI) can detect blood oxygenation level dependent (BOLD) hemodynamic responses secondary to neuronal activity. The most commonly used method for detecting fMRI signals is the gradient-echo echo-planar imaging (EPI) technique because of its sensitivity and speed. However, it is generally believed that a significant portion of these signals arises from large veins, with additional contribution from the capillaries and parenchyma. Early experiments using diffusion-weighted gradient-echo EPI have suggested that intra-voxel incoherent motion (IVIM) weighting inherent in the sequence can selectively attenuate contributions from different vessels based on the differences in the mobility of the blood within them. In the present study, we used similar approach to characterize the apparent diffusion coefficient (ADC) distribution within the activated areas of BOLD contrast. It is shown that the voxel values of the ADCs obtained from this technique can infer various vascular contributions to the BOLD signal.

Study of gene expression in thyrotropin-stimulated thyroid cells by cDNA expression array: ID3 transcription modulating factor as an early response protein and tumor marker in thyroid carcinomas.

Induction of cell proliferation by mitogen or growth factor stimulation leads to the specific induction or repression of a large number of genes. To identify genes differentially regulated by the cAMP-dependent transduction pathway, which is poorly characterized so far, we used the cDNA expression array technology. Hybridizations of Atlas human cDNA expression arrays with (32)P-labeled cDNA probes derived from control or thyrotropin (TSH)-stimulated dog thyrocytes in primary culture generated expression profiles of hundreds of genes simultaneously. Among the genes that displayed modified expression, we selected the transcription factor ID3, whose expression was increased by a cAMP-dependent stimulus. ID3 overexpression after TSH stimulation was first verified by Northern blotting analysis, and its mRNA regulation was then investigated in response to a variety of agents acting on thyrocyte proliferation and/or differentiation. We show that: (1) ID3 mRNA induction was stronger after stimulation of the cAMP cascade, but was not restricted to this signaling pathway, as phorbol myristate ester (TPA) and insulin also stimulated mRNA accumulation; (2) in contrast, powerful mitogens for thyroid cells, epidermal growth factor and hepatocyte growth factor, did not significantly modify ID3 mRNA levels; (3) ID3 protein levels closely parallelled mRNA levels, as revealed by immunofluorescence experiments showing a nuclear signal regulated by TSH; (4) in papillary thyroid carcinomas, ID3 mRNA was downregulated. Our results suggest that ID3 expression might be more related to the differentiating process induced by TSH than to the proliferative action of this hormone.

ATR-FTIR spectroscopy and spectroscopic imaging of solvent and permeant diffusion across model membranes

The uptake and diffusion of solvents across polymer membranes is important in controlled drug delivery, effects on drug uptake into, for example, infusion bags and containers, as well as transport across protective clothing. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy has been used to monitor the effects of different solvents on the diffusion of a model compound, 4-cyanophenol (CNP) across silicone membrane and on the equilibrium concentration of CNP obtained in the membrane following diffusion. ATR-FTIR spectroscopic imaging of membrane diffusion was used to gain an understanding of when the boundary conditions applied to Fick's second law, used to model the diffusion of permeants across the silicone membrane do not hold. The imaging experiments indicated that when the solvent was not taken up appreciably into the membrane, the presence of discrete solvent pools between the ATR crystal and the silicone membrane can affect the diffusion profile of the permeant. This effect is more significant if the permeant has a high solubility in the solvent. In contrast, solvents that are taken up into the membrane to a greater extent, or those where the solubility of the permeant in the vehicle is relatively low, were found to show a good fit to the diffusion model. As such these systems allow the ATR-FTIR spectroscopic approach to give mechanistic insight into how the particular solvents enhance permeation. The solubility of CNP in the solvent and the uptake of the solvent into the membrane were found to be important influences on the equilibrium concentration of the permeant obtained in the membrane following diffusion. In general, solvents which were taken up to a significant extent into the membrane and which caused the membrane to swell increased the diffusion coefficient of the permeant in the membrane though other factors such as solvent viscosity may also be important.

Finite difference time domain modeling of phase grating diffusion

In this paper, a method for modeling diffusion caused by non-smooth boundary surfaces in simulations of room acoustics using finite difference time domain (FDTD) technique is investigated. The proposed approach adopts the well-known theory of phase grating diffusers to efficiently model sound scattering from rough surfaces. The variation of diffuser well-depths is attained by nesting allpass filters within the reflection filters from which the digital impedance filters used in the boundary implementation are obtained. The presented technique is appropriate for modeling diffusion at high frequencies caused by small surface roughness and generally diffusers that have narrow wells and infinitely thin separators. The diffusion coefficient was measured with numerical experiments for a range of fractional Brownian diffusers.

Engineering plasmonic nanorod arrays for colon cancer marker detection

Engineering plasmonic nanomaterials or nanostructures towards ultrasensitive biosensing for disease markers or pathogens is of high importance. Here we demonstrate a systematic approach to tailor effective plasmonic nanorod arrays by combining both comprehensive numerical discrete dipole approximations (DDA) simulation and transmission spectroscopy experiments. The results indicate that 200×50 nm nanorod arrays with 300×500 nm period provide the highest FOM of 2.4 and a sensitivity of 310 nm/RIU. Furthermore, we demonstrate the use of nanorod arrays for the detection of single nucleotide polymorphism in codon 12 of the K-ras gene that are frequently occurring in early stages of colon cancer, with a sensitivity down to 10 nM in the presence of 100-fold higher concentration of the homozygous genotypes. Our work shows significant potential of nanorod arrays towards point-of-care applications in diagnosis and clinical studies.

CD44v8-10 Is a Cancer-Specific Marker for Gastric Cancer Stem Cells

The surface marker CD44 has been identified as one of several markers associated with cancer stem cells (CSC) in solid tumors, but its ubiquitous expression in many cell types, including hematopoietic cells, has hindered its use in targeting CSCs. In this study, 28 paired primary tumor and adjacent nontumor gastric tissue samples were analyzed for cell surface protein expression. Cells that expressed pan-CD44 were found to occur at significantly higher frequency in gastric tumor tissues. We identified CD44v8-10 as the predominant CD44 variant expressed in gastric cancer cells and verified its role as a gastric CSC marker by limiting dilution and serial transplantation assays. Parallel experiments using CD133 failed to enrich for gastric CSCs. Analyses of another 26 primary samples showed significant CD44v8-10 upregulation in gastric tumor sites. Exogenous expression of CD44v8-10 but not CD44 standard (CD44s) increased the frequency of tumor initiation in immunocompromised mice. Reciprocal silencing of total CD44 resulted in reduced tumor-initiating potential of gastric cancer cells that could be rescued by CD44v8-10 but not CD44s expression. Our findings provide important functional evidence that CD44v8-10 marks human gastric CSCs and contributes to tumor initiation, possibly through enhancing oxidative stress defense. In addition, we showed that CD44v8-10 expression is low in normal tissues. Because CD44 also marks CSCs of numerous human cancers, many of which may also overexpress CD44v8-10, CD44v8-10 may provide an avenue to target CSCs in other human cancers.

Le recours à des environnements numériques pour la diffusion de connaissances relatives au patrimoine bâti: une exploration du potentiel de la modélisation de systèmes typologiques

Un fichier intitulé Charbonneau_Nathalie_2008_AnimationAnnexeT accompagne la thèse. Il contient une séquence animée démontrant le type de parcours pouvant être effectué au sein des environnements numériques développés. Il s'agit d'un fichier .wmv qui a été compressé.

Comparison of epicardial mapping and noncontact endocardial mapping in dog experiments and computer simulations

La fibrillation auriculaire, l'arythmie la plus fréquente en clinique, affecte 2.3 millions de patients en Amérique du Nord. Pour en étudier les mécanismes et les thérapies potentielles, des modèles animaux de fibrillation auriculaire ont été développés. La cartographie électrique épicardique à haute densité est une technique expérimentale bien établie pour suivre in vivo l'activité des oreillettes en réponse à une stimulation électrique, à du remodelage, à des arythmies ou à une modulation du système nerveux autonome. Dans les régions qui ne sont pas accessibles par cartographie épicardique, la cartographie endocardique sans contact réalisée à l'aide d'un cathéter en forme de ballon pourrait apporter une description plus complète de l'activité auriculaire. Dans cette étude, une expérience chez le chien a été conçue et analysée. Une reconstruction électro-anatomique, une cartographie épicardique (103 électrodes), une cartographie endocardique sans contact (2048 électrodes virtuelles calculées à partir un cathéter en forme de ballon avec 64 canaux) et des enregistrements endocardiques avec contact direct ont été réalisés simultanément. Les systèmes d'enregistrement ont été également simulés dans un modèle mathématique d'une oreillette droite de chien. Dans les simulations et les expériences (après la suppression du nœud atrio-ventriculaire), des cartes d'activation ont été calculées pendant le rythme sinusal. La repolarisation a été évaluée en mesurant l'aire sous l'onde T auriculaire (ATa) qui est un marqueur de gradient de repolarisation. Les résultats montrent un coefficient de corrélation épicardique-endocardique de 0.8 (expérience) and 0.96 (simulation) entre les cartes d'activation, et un coefficient de corrélation de 0.57 (expérience) and 0.92 (simulation) entre les valeurs de ATa. La cartographie endocardique sans contact apparait comme un instrument expérimental utile pour extraire de l'information en dehors des régions couvertes par les plaques d'enregistrement épicardique.