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Sample records for dpd utilizando estrategias

  1. Efficient Algorithms for Langevin and DPD Dynamics.

    PubMed

    Goga, N; Rzepiela, A J; de Vries, A H; Marrink, S J; Berendsen, H J C

    2012-10-09

    In this article, we present several algorithms for stochastic dynamics, including Langevin dynamics and different variants of Dissipative Particle Dynamics (DPD), applicable to systems with or without constraints. The algorithms are based on the impulsive application of friction and noise, thus avoiding the computational complexity of algorithms that apply continuous friction and noise. Simulation results on thermostat strength and diffusion properties for ideal gas, coarse-grained (MARTINI) water, and constrained atomic (SPC/E) water systems are discussed. We show that the measured thermal relaxation rates agree well with theoretical predictions. The influence of various parameters on the diffusion coefficient is discussed.

  2. [Dihydropirymidine dehydrogenase (DPD)--a toxicity marker for 5-fluorouracil?].

    PubMed

    Jedrzychowska, Adriana; Dołegowska, Barbara

    2013-01-01

    In proceedings relating to patients suffering from cancer, an important step is predicting response and toxicity to treatment. Depending on the type of cancer, physicians use the generally accepted schema of treatment, for example pharmacotherapy. 5-fluorouracil (5-FU) is the most widely used anticancer drug in chemotherapy for colon, breast, and head and neck cancer. Patients with dihydropyrimidine dehydrogenase (DPD) deficiency, which is responsible for the metabolism of 5-FU, may experience severe side effects during treatment, and even death. In many publications the need for determining the activity of DPD is discussed, which would protect the patient from the numerous side effects of treatment. However, in practice these assays are not done routinely, despite the high demand. In most cases, a genetic test is used to detect changes in the gene encoding DPD (such as in the USA), but because of the large number of mutations the genetic test cannot be used as a screening test. Dihydropyrimidine dehydrogenase activity has been shown to have high variability among the general population, with an estimated proportion of at least 3-5% of individuals showing low or deficient DPD activity. In this publication we presents data about average dihydropirymidine dehydrogenase activity in various populations of the world (e.g. Japan, Ghana, Great Britain) including gender differences and collected information about the possibility of determination of DPD activity in different countries. Detection of reduced DPD activity in patients with planned chemotherapy will allow a lower dosage of 5-FU or alternative treatment without exposing them to adverse reactions.

  3. Single-particle hydrodynamics in DPD: A new formulation

    NASA Astrophysics Data System (ADS)

    Pan, W.; Pivkin, I. V.; Karniadakis, G. E.

    2008-10-01

    We present a new formulation of dissipative particle dynamics (DPD) that leads to correct hydrodynamics in flows around bluff bodies represented by a single particle. In particular, we introduce a shear drag coefficient and a corresponding term in the dissipative force, which along with the angular momentum incorporate non-central shear forces between particles and preserve angular momentum. We consider several prototype flows to verify the performance of the proposed formulation with comparisons against theoretical and continuum-based simulation results. Our method is similar to the Fluid Particle Method (FPM) of Espanol (Phys. Rev. E, 57 (1998) 2930) and it has the computational and implementation simplicity of the standard DPD approach.

  4. Reducing the effects of compressibility in DPD-based blood flow simulations through severe stenotic microchannels

    NASA Astrophysics Data System (ADS)

    Gao, Chao; Zhang, Peng; Marom, Gil; Deng, Yuefan; Bluestein, Danny

    2017-04-01

    Viscous fluid flow simulations based on dissipative particle dynamics (DPD) may bear compressible flow effects when flowing through severe stenotic geometries. This is caused by the soft repulsive potential employed in the DPD force field, which limits the particle-based fluid system ability to sustain a large degree of compression. To mitigate this problem, a Morse potential was added to the DPD force field. We studied the fluid properties of the modified fluid model (DPD-Morse) and compared it with a previously published conventional DPD based fluid model. Our DPD-Morse model demonstrated reduced compressibility while preserving other fluid properties such as the fluid density and viscosity. We further investigated the fluid flow properties for a severe 3D stenotic microchannel with a 67% stenosis, using the two models. The DPD fluid model presented a significant density gradient along the flow direction, where the fluid density increased upstream towards the stenosis and decreased downstream from the stenosis before regaining its initial value. In contrast, the DPD-Morse model demonstrated a far better uniform fluid density distribution along the flow direction. We compared both solutions with CFD simulations. The DPD-Morse fluid resembled the behavior of the continuum fluid model whereas DPD fluid deviated from it. To estimate the effect that the difference between the two DPD formulations may have on the platelet activation potential, we have further embedded a platelet model within the flow field and investigated the shear stress accumulation along the platelet transport trajectory. In the stenotic section, the DPD fluid demonstrated a larger stress gradient than the DPD-Morse fluid. The platelet transport period was shorter for the DPD fluid as it generated a larger fluid density gradient that overestimated the acceleration of the platelet through the stenosis. With reduced fluid compressibility, our modified DPD-Morse fluid model was more accurate than the

  5. Entanglement effect in polymer melts by Dissipative Particle Dynamics (DPD)

    NASA Astrophysics Data System (ADS)

    Khani, Shaghayegh; Maia, Joao

    2015-03-01

    Dissipative Particle Dynamics (DPD) is a mesoscale simulation method that has shown a very good potential in modeling different soft matter systems from colloidal suspensions to highly entangled polymers. Like any other simulation technique DPD is associated with some deficiencies, for instance in the case of entangled polymers soft repulsions used in DPD allow particle overlap which may result in topology violations that prevent the correct capturing of the entanglement effect. Therefore, in the present work in order to properly reproduce the dynamics and viscoelastic properties of polymers the soft repulsions between the particles are substituted with a repulsive potential between non-adjacent bonds of different FENE chains. Also, DPD is a coarse-grained simulation method that can be used to model time and length scales longer than atomistic models; however, due to the existence of an upper level limit for the level of coarse graining this method is not applicable for the whole mesoscopic range. Thus, this work represents a new approach for tuning the level of coarse-graining by adjusting the simulation parameters. The ability of the method in capturing the entanglement effects is validated by simulating dynamic and viscoelastic properties of polymers.

  6. Comparison of Facts and DPD-Steadifac Procedures for Free and Combined Chlorine in Aqueous Solution.

    DTIC Science & Technology

    1980-01-01

    of Nitrogen Trichloride. 13 2. Interference of Monochloramine on the DPD Procedure in Synthetic Waters ........... ... ..... ... .. 17 3. Comparison... Monochloramine with the FACTS Procedure Using Synthetic Waters ..... ..... ......................... 14 2. Interference of Monochloramine with the DPD...Procedure in Synthetic W.aters .......... ......................... 16 3. Interference of Monochloramine with the DPD-STEADIFAC Modified Procedure in

  7. Etiology of amyloidosis determines myocardial 99mTc-DPD uptake in amyloidotic cardiomyopathy.

    PubMed

    Longhi, Simone; Bonfiglioli, Rachele; Obici, Laura; Gagliardi, Christian; Milandri, Agnese; Lorenzini, Massimiliano; Guidalotti, Pier Luigi; Merlini, Giampaolo; Rapezzi, Claudio

    2015-05-01

    Tc-DPD (Tc-3,3-diphosphono-1,2-propanodicarboxylic acid) has a high affinity for transthyretin (TTR)-infiltrated myocardium, allowing a differential diagnosis with light chain cardiac amyloidosis and other nonamyloidotic cardiomyopathies with a hypertrophic phenotype, in which myocardial tracer uptake is low or absent. Myocardial bone tracer uptake in the rarer forms of amyloidosis (eg, apolipoprotein-related) has been rarely studied. We present 4 cases of cardiac amyloidosis that underwent Tc-DPD scintigraphy; myocardial DPD uptake was present in patients with ATTR, wtTTR and apolipoprotein AI and negative in cases with AL and apolipoprotein AII-related disease.

  8. 99mTc DPD is the preferential bone tracer for diagnosis of cardiac transthyretin amyloidosis.

    PubMed

    Rossi, Pascal; Tessonnier, Laurent; Frances, Yves; Mundler, Olivier; Granel, Brigitte

    2012-08-01

    We emphasize the role of Tc-99m-3,3-diphosphono-1,2-propanodicarboxylicacid (DPD) scintigraphy as a noninvasive tool to distinguish transthyretin (TTR)-related cardiac amyloidosis from other forms of cardiac amyloidosis. We report the case of a 76-year-old male patient suffering from congestive heart failure in whom imaging investigation by DPD scintigraphy showed a strong cardiac uptake highly suggestive of TTR amyloidosis variant. TTR-related cardiac amyloidosis was confirmed on myocardial biopsies by immunohistochemistry analysis. This case supports the growing interest in DPD scintigraphy for typing cardiac amyloidosis and for its contribution in the place of invasive myocardial biopsy.

  9. Dihydropyrimidine dehydrogenase (DPD) expression is negatively regulated by certain microRNAs in human lung tissues.

    PubMed

    Hirota, Takeshi; Date, Yuko; Nishibatake, Yu; Takane, Hiroshi; Fukuoka, Yasushi; Taniguchi, Yuuji; Burioka, Naoto; Shimizu, Eiji; Nakamura, Hiroshige; Otsubo, Kenji; Ieiri, Ichiro

    2012-07-01

    Dihydropyrimidine dehydrogenase (DPD) is important to the antitumor effect of 5-fluorouracil (5-FU). DPD gene (DPYD) expression in tumors is correlated with sensitivity to 5-FU. Because the 5-FU accumulated in cancer cells is also rapidly converted into inactivated metabolites through catabolic pathways mediated by DPD, high DPD activity in cancer cells is an important determinant of the response to 5-FU. DPD activity is highly variable and reduced activity causes a high risk of 5-FU toxicity. Genetic variation in DPYD has been proposed as the main factor responsible for the variation in DPD activity. However, only a small proportion of the activity of DPD can be explained by DPYD mutations. In this study, we found that DPYD is a target of the following microRNAs (miRNA): miR-27a, miR-27b, miR-134, and miR-582-5p. In luciferase assays with HepG2 cells, the overexpression of these miRNAs was associated with significantly decreased reporter activity in a plasmid containing the 3'-UTR of DYPD mRNA. The level of DPD protein in MIAPaca-2 cells was also significantly decreased by the overexpression of these four miRNAs. The results suggest that miR-27a, miR-27b, miR-134, and miR-582-5p post-transcriptionally regulate DPD protein expression. The levels of miRNAs in normal lung tissue and lung tumors were compared; miR-27b and miR-134 levels were significantly lower in the tumors than normal tissue (3.64 ± 4.02 versus 9.75 ± 6.58 and 0.64 ± 0.75 versus 1.48 ± 1.39). DPD protein levels were significantly higher in the tumors. Thus, the decreased expression of miR-27b would be responsible for the high levels of DPD protein. This study is the first to show that miRNAs regulate the DPD protein, and provides new insight into 5-FU-based chemotherapy.

  10. Investigation of particles size effects in Dissipative Particle Dynamics (DPD) modelling of colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Mai-Duy, N.; Phan-Thien, N.; Khoo, B. C.

    2015-04-01

    In the Dissipative Particle Dynamics (DPD) simulation of suspension, the fluid (solvent) and colloidal particles are replaced by a set of DPD particles and therefore their relative sizes (as measured by their exclusion zones) can affect the maximal packing fraction of the colloidal particles. In this study, we investigate roles of the conservative, dissipative and random forces in this relative size ratio (colloidal/solvent). We propose a mechanism of adjusting the DPD parameters to properly model the solvent phase (the solvent here is supposed to have the same isothermal compressibility to that of water).

  11. Morphological transformations in polymer brushes in binary mixtures: DPD study.

    PubMed

    Cheng, Jianli; Vishnyakov, Aleksey; Neimark, Alexander V

    2014-11-04

    Morphological transformations in polymer brushes in a binary mixture of good and bad solvents are studied using dissipative particle dynamics simulations drawing on a characteristic example of polyisoprene natural rubber in an acetone-benzene mixture. A coarse-grained DPD model of this system is built based on the experimental data in the literature. We focus on the transformation of dense, collapsed brush in bad solvent (acetone) to expanded brush solvated in good solvent (benzene) as the concentration of benzene increases. Compared to a sharp globule-to-coil transition observed in individual tethered chains, the collapsed-to-expanded transformation in brushes is found to be gradual without a prominent transition point. The transformation becomes more leveled as the brush density increases. At low densities, the collapsed brush is highly inhomogeneous and patterned into bunches composed of neighboring chains due to favorable polymer-polymer interaction. At high densities, the brush is expanded even in bad solvent due to steric restrictions. In addition, we considered a model system similar to the PINR-acetone-benzene system, but with the interactions between the solvent components worsened to the limit of miscibility. Enhanced contrast between good and bad solvents facilitates absorption of the good solvent by the brush, shifting the collapsed-to-expanded transformation to lower concentrations of good solvent. This effect is especially pronounced for higher brush densities.

  12. cDPD: A new dissipative particle dynamics method for modeling electrokinetic phenomena at the mesoscale

    NASA Astrophysics Data System (ADS)

    Deng, Mingge; Li, Zhen; Borodin, Oleg; Karniadakis, George Em

    2016-10-01

    We develop a "charged" dissipative particle dynamics (cDPD) model for simulating mesoscopic electrokinetic phenomena governed by the stochastic Poisson-Nernst-Planck and the Navier-Stokes equations. Specifically, the transport equations of ionic species are incorporated into the DPD framework by introducing extra degrees of freedom and corresponding evolution equations associated with each DPD particle. Diffusion of ionic species driven by the ionic concentration gradient, electrostatic potential gradient, and thermal fluctuations is captured accurately via pairwise fluxes between DPD particles. The electrostatic potential is obtained by solving the Poisson equation on the moving DPD particles iteratively at each time step. For charged surfaces in bounded systems, an effective boundary treatment methodology is developed for imposing both the correct hydrodynamic and electrokinetics boundary conditions in cDPD simulations. To validate the proposed cDPD model and the corresponding boundary conditions, we first study the electrostatic structure in the vicinity of a charged solid surface, i.e., we perform cDPD simulations of the electrostatic double layer and show that our results are in good agreement with the well-known mean-field theoretical solutions. We also simulate the electrostatic structure and capacity densities between charged parallel plates in salt solutions with different salt concentrations. Moreover, we employ the proposed methodology to study the electro-osmotic and electro-osmotic/pressure-driven flows in a micro-channel. In the latter case, we simulate the dilute poly-electrolyte solution drifting by electro-osmotic flow in a micro-channel, hence demonstrating the flexibility and capability of this method in studying complex fluids with electrostatic interactions at the micro- and nano-scales.

  13. User Manual and Source Code for a LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics (DPD-E)

    DTIC Science & Technology

    2014-06-01

    Distribution List 20 iv INTENTIONALLY LEFT BLANK. 1 The constant energy dissipative particle dynamics ( DPD -E) method is implemented into the Large-Scale...User Manual and Source Code for a LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics ( DPD -E) by James P. Larentzos...Energy Dissipative Particle Dynamics ( DPD -E) James P. Larentzos Engility Corporation John K. Brennan, Joshua D. Moore, and William D. Mattson

  14. Hydrogen bonding in DPD: application to low molecular weight alcohol-water mixtures.

    PubMed

    Kacar, Gokhan; de With, Gijsbertus

    2016-04-14

    In this work we propose a computational approach to mimic hydrogen bonding in a widely used coarse-grained simulation method known as dissipative particle dynamics (DPD). The conventional DPD potential is modified by adding a Morse potential term to represent hydrogen bonding attraction. Morse potential parameters are calculated by a mapping of energetic and structural properties to those of atomistic scale simulations. By the addition of hydrogen bonding to DPD and with the proposed parameterization, the volumetric mixing behavior of low molecular weight alcohols and water is studied and experimentally observed negative volume excess is successfully predicted, contrary to the conventional DPD implementation. Moreover, the density-dependent DPD parameterization employed provides the asymmetrical shapes of the excess volume curves. In addition, alcohol surface enrichment at the air interface and self-assembly in the bulk is studied. The surface concentrations of alcohols at the air interface compare favorably with the experimental observations at all bulk-phase alcohol fractions and, in consonance with experiment, some clustering is observed.

  15. Delayed Presentation of DPD Deficiency in Colorectal Cancer.

    PubMed

    Law, Lindsey; Rogers, Jane; Eng, Cathy

    2014-05-01

    L, his hemoglobin was 13.1 g/dL, his hematocrit was 39.2%, and his platelet count was 68,000/ìL. He was admitted to the inpatient service and started on empiric antibiotics. His blood cultures remained negative during hospitalization, but stool cultures were positive for C. difficile. His antimicrobial regimen was deescalated to oral vancomycin once his stool volume decreased. He was treated with an institutional compounded mouthwash of diphenhydramine, aluminum/magnesium hydroxide, and viscous lidocaine for the mucositis, which also slowly improved. He was given a dose of growth factor. Neutropenia eventually resolved, with an absolute neutrophil count of 4,820/ìL on the day of discharge. He was discharged 26 days after initiating cycle 1, at which time his myelosuppression and mucositis were also resolved. Throughout his course, he did not report any neurotoxicity. DPD Testing  Due to his severe symptoms of neutropenia, mucositis, and diarrhea, Mr. D. was tested for dihydropyrimidine dehydrogenase (DPD) deficiency. Testing confirmed a heterozygous IVS14+IG>A mutation. For this reason, all further adjuvant therapy was withheld, and he was followed on clinical surveillance only.

  16. Delayed Presentation of DPD Deficiency in Colorectal Cancer

    PubMed Central

    Law, Lindsey; Rogers, Jane; Eng, Cathy

    2014-01-01

    to 160/ìL, his hemoglobin was 13.1 g/dL, his hematocrit was 39.2%, and his platelet count was 68,000/ìL. He was admitted to the inpatient service and started on empiric antibiotics. His blood cultures remained negative during hospitalization, but stool cultures were positive for C. difficile. His antimicrobial regimen was deescalated to oral vancomycin once his stool volume decreased. He was treated with an institutional compounded mouthwash of diphenhydramine, aluminum/magnesium hydroxide, and viscous lidocaine for the mucositis, which also slowly improved. He was given a dose of growth factor. Neutropenia eventually resolved, with an absolute neutrophil count of 4,820/ìL on the day of discharge. He was discharged 26 days after initiating cycle 1, at which time his myelosuppression and mucositis were also resolved. Throughout his course, he did not report any neurotoxicity. DPD Testing  Due to his severe symptoms of neutropenia, mucositis, and diarrhea, Mr. D. was tested for dihydropyrimidine dehydrogenase (DPD) deficiency. Testing confirmed a heterozygous IVS14+IG>A mutation. For this reason, all further adjuvant therapy was withheld, and he was followed on clinical surveillance only. PMID:25089219

  17. Translating DPYD genotype into DPD phenotype: using the DPYD gene activity score.

    PubMed

    Henricks, Linda M; Lunenburg, Carin A T C; Meulendijks, Didier; Gelderblom, Hans; Cats, Annemieke; Swen, Jesse J; Schellens, Jan H M; Guchelaar, Henk-Jan

    2015-01-01

    The dihydropyrimidine dehydrogenase enzyme (DPD, encoded by the gene DPYD) plays a key role in the metabolism of fluoropyrimidines. DPD deficiency occurs in 4-5% of the population and is associated with severe fluoropyrimidine-related toxicity. Several SNPs in DPYD have been described that lead to absent or reduced enzyme activity, including DPYD*2A, DPYD*13, c.2846A>T and c.1236G>A/haplotype B3. Since these SNPs differ in their effect on DPD enzyme activity, a differentiated dose adaption is recommended. We propose the gene activity score for translating DPYD genotype into phenotype, accounting for differences in functionality of SNPs. This method can be used to standardize individualized fluoropyrimidine dose adjustments, resulting in optimal safety and effectiveness.

  18. Application of DPD in the design of polymeric nano-micelles as drug carriers.

    PubMed

    Ramezani, Mohammad; Shamsara, Jamal

    2016-05-01

    Developing new drug carrier systems are of a great importance in the treatment approach for a wide range of diseases. The simulation techniques can be valuable for decreasing the time and cost of developing novel drug carriers. Among the simulation methods there are a vast number of studies using dissipative particle dynamics (DPD) method for the prediction of different aspects of polymeric nano-micelles for encapsulating drugs. Here, we reviewed the results of the studies employing DPD for the simulation of drug loading and release in different polymeric micelles carriers. In some cases the simulation results were compared with the experimental results by the authors that were demonstrated the reliability of the DPD predictions.

  19. (99m)Tc-DPD uptake reflects amyloid fibril composition in hereditary transthyretin amyloidosis.

    PubMed

    Pilebro, Björn; Suhr, Ole B; Näslund, Ulf; Westermark, Per; Lindqvist, Per; Sundström, Torbjörn

    2016-01-01

    Aims In transthyretin amyloid (ATTR) amyloidosis various principal phenotypes have been described: cardiac, neuropathic, or a mixed cardiac and neuropathic. In addition, two different types of amyloid fibrils have been identified (type A and type B). Type B fibrils have thus far only been found in predominantly early-onset V30M and in patients carrying the Y114C mutation, whereas type A is noted in all other mutations currently examined as well as in wild-type ATTR amyloidosis. The fibril type is a determinant of the ATTR V30M disease phenotype. (99m)Tc-DPD scintigraphy is a highly sensitive method for diagnosing heart involvement in ATTR amyloidosis. The objective of this study was to determine the relationship between ATTR fibril composition and (99m)Tc-DPD scintigraphy outcome in patients with biopsy-proven ATTR amyloidosis. Methods Altogether 55 patients with biopsy-proven diagnosis of ATTR amyloidosis and amyloid fibril composition determined were examined by (99m)Tc-DPD scintigraphy. The patients were grouped and compared according to their type of amyloid fibrils. Cardiovascular evaluation included ECG, echocardiography, and cardiac biomarkers. The medical records were scrutinized to identify subjects with hypertension or other diseases that have an impact on cardiac dimensions. Results A total of 97% with type A and none of the patients with type B fibrils displayed (99m)Tc-DPD uptake at scintigraphy (p < 0.001). Findings from analyses of cardiac biomarkers, ECG, and echocardiography, though significantly different, could not differentiate between type A and B fibrils in individual patients. Conclusion In ATTR amyloidosis, the outcome of (99m)Tc-DPD scintigraphy is strongly related to the patients' transthyretin amyloid fibril composition.

  20. Development of DPD coarse-grained models: From bulk to interfacial properties

    NASA Astrophysics Data System (ADS)

    Solano Canchaya, José G.; Dequidt, Alain; Goujon, Florent; Malfreyt, Patrice

    2016-08-01

    A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG and atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.

  1. Development of DPD coarse-grained models: From bulk to interfacial properties.

    PubMed

    Solano Canchaya, José G; Dequidt, Alain; Goujon, Florent; Malfreyt, Patrice

    2016-08-07

    A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG and atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.

  2. Electronic structure and mesoscopic simulations of nonylphenol ethoxylate surfactants. a combined DFT and DPD study.

    PubMed

    Valencia, Diego; Aburto, Jorge; García-Cruz, Isidoro

    2013-08-07

    The aim of this work was to gain insight into the effect of ethylene oxide (EO) chains on the properties of a series of nonylphenol ethoxylate (NPE) surfactants. We performed a theoretical study of NPE surfactants by means of density functional theory (DFT) and dissipative particle dynamics (DPD). Both approximations were used separately to obtain different properties. Four NPEs were selected for this purpose (EO = 4, 7, 11 and 15 length chains). DFT methods provided some electronic properties that are related to the EO units. One of them is the solvation Gibbs energy, which exhibited a linear trend with EO chain length. DPD calculations allow us to observe the dynamic behavior in water of the NPE surfactants. We propose a coarse-grained model which properly simulates the mesophases of each surfactant. This model can be used in other NPEs applications.

  3. New modified weight function for the dissipative force in the DPD method to increase the Schmidt number

    NASA Astrophysics Data System (ADS)

    Yaghoubi, S.; Shirani, E.; Pishevar, A. R.; Afshar, Y.

    2015-04-01

    To simulate liquid fluid flows with high Schmidt numbers (Sc), one needs to use a modified version of the Dissipative Particle Dynamics (DPD) method. Recently the modifications made by others for the weight function of dissipative forces, enables DPD simulations for Sc, up to 10. In this paper, we introduce a different dissipative force weight function for DPD simulations that allows achieving a solution with higher values of Sc and improving the dynamic characteristics of the simulating fluid. Moreover, by reducing the energy of DPD particles, even higher values of Sc can be achieved. Finally, using the new proposed weight function and kBT =0.2 , the Sc values can reach up to 200.

  4. DPD Simulation of Protein Conformations: From α-Helices to β-Structures.

    PubMed

    Vishnyakov, Aleksey; Talaga, David S; Neimark, Alexander V

    2012-11-01

    We suggest a coarse-grained model for DPD simulations of polypeptides in solutions. The model mimics hydrogen bonding that stabilizes α-helical and β-structures using dissociable Morse bonds between quasiparticles representing the peptide groups amenable to hydrogen bonding. We demonstrate the capabilities of the model by simulating transitions between coil-like, globular, α-helical, and β-hairpin configurations of model peptides, varying Morse potential parameters, the hydrophobicities of residue side chains, and pH, which determines the charges of residue side chains. We construct a model triblock polypeptide mimicking the sequence of residues α-synuclein at two different pHs. The conformations of this model polypeptide depend on pH similarly to the behavior observed experimentally. The suggested approach to accounting for hydrogen bond formation within the general DPD framework may make the DPD method a competitive alternative to CGMD for modeling equilibrium and dynamic properties of proteins and polypeptides, especially during their transport in confined environments.

  5. Adsorption of SDS surfactant inside and around carbon nanotubes with DPD simulation

    NASA Astrophysics Data System (ADS)

    Vo, Minh; Papavassiliou, Dimitrios

    The inner diameter of a carbon nanotube (CNT) is generally from 1 to 20 nm, while its inner space could be filled by certain compounds. In our study, Dissipative Particle Dynamics (DPD) simulations were utilized to investigate the ability of sodium dodecyl sulfate (SDS) to adsorb inside a single-walled CNT. First of all, the DPD interaction parameters for SDS surfactants were validated by determining the CMC of surfactants from DPD calculation. The SDS micelle shape and size in water were also calculated. Water-CNT interactions were obtained from a prior study. When the SDS aqueous system reached equilibrium, an open-ended, hydrophobic CNT (a hollow cylinder in the simulation) was inserted into the solution. The diameter of the CNT varied from 1 to 5 nm. All simulations were run up to 2x106 time steps at room temperature. For the system of water and CNT, the radial and axial density profiles of water were computed and compared with published Molecular Dynamics results. In the presence of SDS, the distribution of water and SDS inside the CNT was found to be comparable to that in bulk solution after the system reached equilibrium. In addition, the diffusivity and residence time of water and SDS inside CNTs of different were calculated. This study would give insights into the dynamics and morphology of surfactants in nanoconfined structures.

  6. [Prevention of severe toxicity from capecitabine, 5-fluorouracil and tegafur by screening for DPD-deficiency].

    PubMed

    Deenen, Maarten J; Cats, Annemieke; Mandigers, Caroline M P W; Soesan, Marcel; Terpstra, Wim E; Beijnen, Jos H; Schellens, Jan H M

    2012-01-01

    Capecitabine, 5-fluorouracil and tegafur form the group called the fluoropyrimidines, which is one of the most frequently prescribed group of anti-cancer drugs for the treatment of (metastatic) colorectal, gastric and breast cancer. The primary enzyme responsible for the inactivation of the fluoropyrimidines is dihydropyrimidine dehydrogenase (DPD). Consequently, patients with an inborn partial DPD deficiency, induced, for example by the polymorphism DPYD*2A, are highly prone to severe, potentially lethal toxicity following a standard dose of fluoropyrimidines. In this article, based on three representative case reports and our prospective study in patients with cancer, we demonstrate the clinical value of prospective screening for DPD deficiency in patients being treated with fluoropyrimidine-based anti-cancer therapy. The results show that upfront genotyping for DPYD*2A followed by a fluoropyrimidine dose reduction of 50% (on average) in patients heterozygous polymorphic for DPYD*2A, significantly reduces the incidence of severe to potentially lethal toxicity compared to historical control patients given full-dose therapy.

  7. Severe fluoropyrimidine toxicity due to novel and rare DPYD missense mutations, deletion and genomic amplification affecting DPD activity and mRNA splicing.

    PubMed

    van Kuilenburg, André B P; Meijer, Judith; Maurer, Dirk; Dobritzsch, Doreen; Meinsma, Rutger; Los, Maartje; Knegt, Lia C; Zoetekouw, Lida; Jansen, Rob L H; Dezentjé, Vincent; van Huis-Tanja, Lieke H; van Kampen, Roel J W; Hertz, Jens Michael; Hennekam, Raoul C M

    2017-03-01

    Dihydropyrimidine dehydrogenase (DPD) is the initial and rate-limiting enzyme in the catabolism of 5-fluorouracil (5FU). Genetic variations in DPD have emerged as predictive risk factors for severe fluoropyrimidine toxicity. Here, we report novel and rare genetic variants underlying DPD deficiency in 9 cancer patients presenting with severe fluoropyrimidine-associated toxicity. All patients possessed a strongly reduced DPD activity, ranging from 9 to 53% of controls. Analysis of the DPD gene (DPYD) showed the presence of 21 variable sites including 4 novel and 4 very rare aberrations: 3 missense mutations, 2 splice-site mutations, 1 intronic mutation, a deletion of 21 nucleotides and a genomic amplification of exons 9-12. Two novel/rare variants (c.2843T>C, c.321+1G>A) were present in multiple, unrelated patients. Functional analysis of recombinantly-expressed DPD mutants carrying the p.I948T and p.G284V mutation showed residual DPD activities of 30% and 0.5%, respectively. Analysis of a DPD homology model indicated that the p.I948T and p.G284V mutations may affect electron transfer and the binding of FAD, respectively. cDNA analysis showed that the c.321+1G>A mutation in DPYD leads to skipping of exon 4 immediately upstream of the mutated splice-donor site in the process of DPD pre-mRNA splicing. A lethal toxicity in two DPD patients suggests that fluoropyrimidines combined with other therapies such as radiotherapy might be particularly toxic for DPD deficient patients. Our study advocates a more comprehensive genotyping approach combined with phenotyping strategies for upfront screening for DPD deficiency to ensure the safe administration of fluoropyrimidines.

  8. A DPYD variant (Y186C) in individuals of african ancestry is associated with reduced DPD enzyme activity.

    PubMed

    Offer, S M; Lee, A M; Mattison, L K; Fossum, C; Wegner, N J; Diasio, R B

    2013-07-01

    5-Fluorouracil (5-FU) is used to treat many aggressive cancers, such as those of the colon, breast, and head and neck. The responses to 5-FU, with respect to both toxicity and efficacy, vary among racial groups, potentially because of variability in the activity levels of the enzyme dihydropyrimidine dehydrogenase (DPD, encoded by the DPYD gene). In this study, the genetic associations between DPYD variations and circulating mononuclear-cell DPD enzyme activity were evaluated in 94 African-American and 81 European-American volunteers. The DPYD-Y186C variant was unique to individuals of African ancestry, and DPD activity was 46% lower in carriers as compared with noncarriers (279 ± 35 vs. 514 ± 168 pmol 5-FU min(-1) mg(-1); P = 0.00029). In this study, 26% of the African Americans with reduced DPD activity were carriers of Y186C. In the African-American cohort, after excluding Y186C carriers, homozygous carriers of C29R showed 27% higher DPD activity as compared with noncarriers (609 ± 152 and 480 ± 152 pmol 5-FU min(-1) mg(-1), respectively; P = 0.013).

  9. Relationship Between the DPD and TS mRNA Expression and the Response to S-1-Based Chemotherapy and Prognosis in Patients with Advanced Gastric Cancer.

    PubMed

    Shen, Xiao-Ming; Zhou, Chong; Lian, Lian; Li, Li-Qun; Li, Wei; Tao, Min

    2015-04-01

    The aim was to determine changes in dihydropyrimidine dehydrogenase (DPD) and thymidylate synthase (TS) mRNAs in the blood of advanced gastric cancer (AGC) patients to see whether these enzymes affected the patients' response to S-1-based chemotherapy and prognosis. For this purpose, pretreatment DPD/TS mRNA expressions were determined in 40 AGC patients using RT-PCR. The patients were then administered with S-1-based regimen (S-1 + cisplatin) and toxicities were recorded. The relationship between the DPD/TS mRNA expressions and the chemotherapy response, drug resistance, and prognosis was analyzed. The data show that DPD mRNA expression correlated significantly with Lauren type while TS mRNA expression correlated with distant metastasis. Patients with higher DPD and/or TS mRNA expression(s) showed poor response, while those with low DPD mRNA expression showed better response to the chemotherapy. Pooled analysis showed that the patients with low DPD/TS mRNA expressions had better therapeutic response. The incidence of bone marrow suppression, diarrhea, and oral mucositis was high in patients with low DPD mRNA expression. Median overall survival (OS) in 40 patients was 13.5 months. It was 17 months for low and 10 months for high DPD (P = 0.044) and TS mRNA expression (P = 0.047). Pooled analysis showed that the patients with both low DPD/TS mRNA expressions had longer OS (P = 0.001). In conclusion, the detection of DPD and/or TS mRNA expression can be used to predict the response to S-1-based chemotherapy, drug resistance, and prognosis in AGC patients as well as to help guide the individualized treatment of gastric cancer.

  10. Parametric study on phase separation of binary mixtures in a lid driven cavity: A DPD study

    NASA Astrophysics Data System (ADS)

    Gidituri, Harinadha; Anand, Vijay; Panchagnula, Mahesh; Vedantam, Srikanth

    2016-11-01

    We investigate the phase separation behavior of binary mixtures in two dimensional periodic and lid driven cavity domains using dissipative particle dynamics (DPD). The effect of DPD parameters like repulsion coefficient, dissipative coefficient, cut-off radius, and weight function exponent on domain size growth has been studied. The phase separation is delayed for low values of repulsion coefficient. Under these conditions, a few clusters of the dispersed phase are distributed in a continuous phase. This is because of weak inter-particle repulsion. As we increase the repulsion coefficient value, this behavior disappears. The domain growth rate is also observed to increase with an increase in the value of the dissipation coefficient as well as cut-off radius. Finally, the dynamics of phase separation in the lid driven cavity problem are significantly different when compared to that in the periodic domain, due to the formation of a stable vortex in the cavity. The vortex results in a dynamic equilibrium between clustering and separation. The distribution of cluster sizes is studied as a function of the driven cavity parameters.

  11. Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory.

    PubMed

    Du, Chunmiao; Ji, Yujin; Xue, Junwei; Hou, Tingjun; Tang, Jianxin; Lee, Shuit-Tong; Li, Youyong

    2015-11-19

    The morphology of active layers in the bulk heterojunction (BHJ) solar cells is critical to the performance of organic photovoltaics (OPV). Currently, there is limited information for the morphology from transmission electron microscopy (TEM) techniques. Meanwhile, there are limited approaches to predict the morphology /efficiency of OPV. Here we use Dissipative Particle Dynamics (DPD) to determine 3D morphology of BHJ solar cells and show DPD to be an efficient approach to predict the 3D morphology. Based on the 3D morphology, we estimate the performance indicator of BHJ solar cells by using graph theory. Specifically, we study poly (3-hexylthiophene)/[6, 6]-phenyl-C61butyric acid methyl ester (P3HT/PCBM) BHJ solar cells. We find that, when the volume fraction of PCBM is in the region 0.4 ∼ 0.5, P3HT/PCBM will show bi-continuous morphology and optimum performance, consistent with experimental results. Further, the optimum temperature (413 K) for the morphology and performance of P3HT/PCBM is in accord with annealing results. We find that solvent additive plays a critical role in the desolvation process of P3HT/PCBM BHJ solar cell. Our approach provides a direct method to predict dynamic 3D morphology and performance indicator for BHJ solar cells.

  12. Modelling of platelet-fibrin clot formation in flow with a DPD-PDE method.

    PubMed

    Tosenberger, A; Ataullakhanov, F; Bessonov, N; Panteleev, M; Tokarev, A; Volpert, V

    2016-02-01

    The paper is devoted to mathematical modelling of clot growth in blood flow. Great complexity of the hemostatic system dictates the need of usage of the mathematical models to understand its functioning in the normal and especially in pathological situations. In this work we investigate the interaction of blood flow, platelet aggregation and plasma coagulation. We develop a hybrid DPD-PDE model where dissipative particle dynamics (DPD) is used to model plasma flow and platelets, while the regulatory network of plasma coagulation is described by a system of partial differential equations. Modelling results confirm the potency of the scenario of clot growth where at the first stage of clot formation platelets form an aggregate due to weak inter-platelet connections and then due to their activation. This enables the formation of the fibrin net in the centre of the platelet aggregate where the flow velocity is significantly reduced. The fibrin net reinforces the clot and allows its further growth. When the clot becomes sufficiently large, it stops growing due to the narrowed vessel and the increase of flow shear rate at the surface of the clot. Its outer part is detached by the flow revealing the inner part covered by fibrin. This fibrin cap does not allow new platelets to attach at the high shear rate, and the clot stops growing. Dependence of the final clot size on wall shear rate and on other parameters is studied.

  13. Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory

    NASA Astrophysics Data System (ADS)

    Du, Chunmiao; Ji, Yujin; Xue, Junwei; Hou, Tingjun; Tang, Jianxin; Lee, Shuit-Tong; Li, Youyong

    2015-11-01

    The morphology of active layers in the bulk heterojunction (BHJ) solar cells is critical to the performance of organic photovoltaics (OPV). Currently, there is limited information for the morphology from transmission electron microscopy (TEM) techniques. Meanwhile, there are limited approaches to predict the morphology /efficiency of OPV. Here we use Dissipative Particle Dynamics (DPD) to determine 3D morphology of BHJ solar cells and show DPD to be an efficient approach to predict the 3D morphology. Based on the 3D morphology, we estimate the performance indicator of BHJ solar cells by using graph theory. Specifically, we study poly (3-hexylthiophene)/[6, 6]-phenyl-C61butyric acid methyl ester (P3HT/PCBM) BHJ solar cells. We find that, when the volume fraction of PCBM is in the region 0.4 ∼ 0.5, P3HT/PCBM will show bi-continuous morphology and optimum performance, consistent with experimental results. Further, the optimum temperature (413 K) for the morphology and performance of P3HT/PCBM is in accord with annealing results. We find that solvent additive plays a critical role in the desolvation process of P3HT/PCBM BHJ solar cell. Our approach provides a direct method to predict dynamic 3D morphology and performance indicator for BHJ solar cells.

  14. Modelling of thrombus growth in flow with a DPD-PDE method.

    PubMed

    Tosenberger, A; Ataullakhanov, F; Bessonov, N; Panteleev, M; Tokarev, A; Volpert, V

    2013-11-21

    Hemostatic plug covering the injury site (or a thrombus in the pathological case) is formed due to the complex interaction of aggregating platelets with biochemical reactions in plasma that participate in blood coagulation. The mechanisms that control clot growth and which lead to growth arrest are not yet completely understood. We model them with numerical simulations based on a hybrid DPD-PDE model. Dissipative particle dynamics (DPD) is used to model plasma flow with platelets while fibrin concentration is described by a simplified reaction-diffusion-advection equation. The model takes into account consecutive stages of clot growth. First, a platelet is weakly connected to the clot and after some time this connection becomes stronger due to other surface receptors involved in platelet adhesion. At the same time, the fibrin mesh is formed inside the clot. This becomes possible because flow does not penetrate the clot and cannot wash out the reactants participating in blood coagulation. Platelets covered by the fibrin mesh cannot attach new platelets. Modelling shows that the growth of a hemostatic plug can stop as a result of its exterior part being removed by the flow thus exposing its non-adhesive core to the flow.

  15. Final Project Report for DPD, Inc. Office Building in Lansing, Michigan

    SciTech Connect

    Deru, M.; Sherman, M.

    2003-03-01

    The National Renewable Energy Laboratory participated with DPD, Inc., in the thermal analysis of buildings constructed using concrete with recycled materials in the aggregate. This project was part of a Phase II Small Business Innovative Research grant to determine how the thermal properties of concrete can be''tuned'' for use in passive solar buildings. DPD Inc. and Michigan State University developed techniques to alter the thermal properties of concrete by introducing recycled materials into the aggregate. Two office/retail buildings were built in Lansing, Michigan for this research. The objective of NREL's involvement was to evaluate the effects of concrete thermal properties on the building performance through energy simulations and monitoring. This report presents a summary of work accomplished on this project, including a predesign analysis of the concrete properties and building designs as well as energy performance analysis after construction. The test results were used to calibrate computer models that were later used to predict long-term performance of the buildings.

  16. Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory

    PubMed Central

    Du, Chunmiao; Ji, Yujin; Xue, Junwei; Hou, Tingjun; Tang, Jianxin; Lee, Shuit-Tong; Li, Youyong

    2015-01-01

    The morphology of active layers in the bulk heterojunction (BHJ) solar cells is critical to the performance of organic photovoltaics (OPV). Currently, there is limited information for the morphology from transmission electron microscopy (TEM) techniques. Meanwhile, there are limited approaches to predict the morphology /efficiency of OPV. Here we use Dissipative Particle Dynamics (DPD) to determine 3D morphology of BHJ solar cells and show DPD to be an efficient approach to predict the 3D morphology. Based on the 3D morphology, we estimate the performance indicator of BHJ solar cells by using graph theory. Specifically, we study poly (3-hexylthiophene)/[6, 6]-phenyl-C61butyric acid methyl ester (P3HT/PCBM) BHJ solar cells. We find that, when the volume fraction of PCBM is in the region 0.4 ∼ 0.5, P3HT/PCBM will show bi-continuous morphology and optimum performance, consistent with experimental results. Further, the optimum temperature (413 K) for the morphology and performance of P3HT/PCBM is in accord with annealing results. We find that solvent additive plays a critical role in the desolvation process of P3HT/PCBM BHJ solar cell. Our approach provides a direct method to predict dynamic 3D morphology and performance indicator for BHJ solar cells. PMID:26581407

  17. A Proposal for Adopting the Frequency Response of an Envelope Amplifier with Memoryless DPD EER PA Model

    NASA Astrophysics Data System (ADS)

    Kato, Takayuki; Kogami, Yoshinori; Funahashi, Yuuki; Yamaoka, Atsushi; Yamaguchi, Keiichi; Tanabe, Yasuhiko; Zhou, Jiafeng; Morris, Kevin; T. Watkins, Gavin

    Recently, dynamic power supply voltage techniques, such as an Envelope Elimination and Restoration power amplifier (EER-PA) or Envelope-Tracking Power amplifier (ET-PA), have been attracting much attention because they can maintain high efficiency in large back-off region [1]-[6]. The dynamic power supply voltage techniques cause strong nonlinearity compared to a conventional power amplifier, hence a memoryless Digital Predistortion (DPD) technique is indispensable for these efficiency enhancement techniques. However, the performance of the memoryless DPD is degraded due to the frequency response of the envelope amplifier in the dynamic power supply voltage techniques [7]-[9]. In this paper, we clarify the degradation mechanisms of the memoryless DPD for the EER-PA due to the frequency response of the envelope amplifier based on the results of two-tone tests, and propose an analytical model for improving the performance of the memoryless DPD developed for the EER-PA. In addition, a prototype EER-PA is developed and we demonstrate that the residual distortion of the developed EER-PA with conventional memoryless DPD algorithm is compensated by the new algorithm based on the proposed analytical model. In the two-tone test, third-order intermodulation distortion (IMD3) with a tone spacing from 100kHz to 4MHz is improvement by up to 25dB by the memoryless DPD algorithm based on the proposed model. Measured adjacent channel leakage power ratio (ACPR) of the developed EER-PA is improved from -22.5dBc to -42.5dBc in the OFDM signal test with 1.08MHz bandwidth.

  18. High 99mTc-DPD myocardial uptake in a patient with apolipoprotein AI-related amyloidotic cardiomyopathy.

    PubMed

    Quarta, Candida Cristina; Obici, Laura; Guidalotti, Pier Luigi; Pieroni, Maurizio; Longhi, Simone; Perlini, Stefano; Verga, Laura; Merlini, Giampaolo; Rapezzi, Claudio

    2013-03-01

    Amyloidotic cardiomyopathy is still a widely underdiagnosed condition that usually requires endomyocardial biopsy (EMB) for a definite diagnosis. 99mTc-3,3-diphosphono-1,2-propanodicarboxylic acid (99mTc-DPD) has proven highly sensitive for detecting amyloidotic cardiomyopathy due to transthyretin-related amyloid deposition. Herein we report the first description of the (99mTc-DPD scintigraphy profile in a patient with suspected amyloidotic cardiomyopathy and a final EMB- and genetically-proven diagnosis of familial apolipoprotein AI amyloidosis due to Leu174Ser variant.

  19. Disodium pentaborate decahydrate (DPD) induced apoptosis by decreasing hTERT enzyme activity and disrupting F-actin organization of prostate cancer cells.

    PubMed

    Korkmaz, Mehmet; Avcı, Cigir Biray; Gunduz, Cumhur; Aygunes, Duygu; Erbaykent-Tepedelen, Burcu

    2014-02-01

    Animal and cell culture studies have showed that boron and its derivatives may be promising anticancer agents in prostate cancer treatment. Thus, DU145 cells were treated with disodium pentaborate decahydrate (DPD) for 24, 48, and 72 h in order to investigate the inhibitor effect and mechanisms of DPD. Then, cell proliferation, telomerase enzyme activity, actin polymerization, and apoptosis were detected by WST-1 assay, qRT-PCR, immunofluorescence labeling, and flow cytometry, respectively. We found that DPD inhibited the growth of human prostate cancer cell line DU145 at the concentration of 3.5 mM for 24 h. Our results demonstrated that 7 mM of DPD treatment prevented the telomerase enzyme activity at the rate of 38 %. Furthermore, DPD has an apoptotic effect on DU145 cells which were examined by labeling DNA breaks. With 7 mM of DPD treatment, 8, 14, and 41 % of apoptotic cells were detected for 24, 48, and 72 h, respectively. Additionally, immunofluorescence labeling showed that the normal organization of actin filaments was disrupted in DPD-exposed cells, which is accompanied by the alteration of cell shape and by apoptosis in targeted cells. Taken together, the results indicate that DPD may exert its cytotoxicity at least partly by interfering with the dynamic properties of actin polymerization and decreasing the telomerase activity. Eventually, for the first time, the results of this study showed that DPD suppressed the activity of telomerase in DU145 cells, and therefore, we suggested that DPD could be an important agent for its therapeutic potential in the treatment of prostate cancer.

  20. A family of time-staggered schemes for integrating hybrid DPD models for polymers: Algorithms and applications

    SciTech Connect

    Symeonidis, Vasileios; Karniadakis, George Em . E-mail: gk@dam.brown.edu

    2006-10-10

    We propose new schemes for integrating the stochastic differential equations of dissipative particle dynamics (DPD) in simulations of dilute polymer solutions. The hybrid DPD models consist of hard potentials that describe the microscopic dynamics of polymers and soft potentials that describe the mesoscopic dynamics of the solvent. In particular, we develop extensions to the velocity-Verlet and Lowe's approaches - two representative DPD time-integrators - following a subcycling procedure whereby the solvent is advanced with a timestep much larger than the one employed in the polymer time-integration. The introduction of relaxation parameters allows optimization studies for accuracy while maintaining the low computational complexity of standard DPD algorithms. We demonstrate through equilibrium simulations that a 10-fold gain in efficiency can be obtained with the time-staggered algorithms without loss of accuracy compared to the non-staggered schemes. We then apply the new approach to investigate the scaling response of polymers in equilibrium as well as the dynamics of {lambda}-phage DNA molecules subjected to shear.

  1. A family of time-staggered schemes for integrating hybrid DPD models for polymers: Algorithms and applications

    NASA Astrophysics Data System (ADS)

    Symeonidis, Vasileios; Karniadakis, George Em

    2006-10-01

    We propose new schemes for integrating the stochastic differential equations of dissipative particle dynamics (DPD) in simulations of dilute polymer solutions. The hybrid DPD models consist of hard potentials that describe the microscopic dynamics of polymers and soft potentials that describe the mesoscopic dynamics of the solvent. In particular, we develop extensions to the velocity-Verlet and Lowe's approaches - two representative DPD time-integrators - following a subcycling procedure whereby the solvent is advanced with a timestep much larger than the one employed in the polymer time-integration. The introduction of relaxation parameters allows optimization studies for accuracy while maintaining the low computational complexity of standard DPD algorithms. We demonstrate through equilibrium simulations that a 10-fold gain in efficiency can be obtained with the time-staggered algorithms without loss of accuracy compared to the non-staggered schemes. We then apply the new approach to investigate the scaling response of polymers in equilibrium as well as the dynamics of λ-phage DNA molecules subjected to shear.

  2. Inhibition of quorum sensing and biofilm formation in Vibrio harveyi by 4-fluoro-DPD; a novel potent inhibitor of signalling.

    PubMed

    Kadirvel, Manikandan; Fanimarvasti, Fariba; Forbes, Sarah; McBain, Andrew; Gardiner, John M; Brown, Gavin D; Freeman, Sally

    2014-05-21

    (S)-4,5-Dihydroxypentane-2,3-dione [(S)-DPD, (1)] is a precursor for , a quorum sensing signalling molecule for inter- and intra-species bacterial communication. The synthesis of its fluoro-analogue, 4-fluoro-5-hydroxypentane-2,3-dione () is reported. An intermediate in this route also enables a new, shorter synthesis of the native (S)-DPD. 4-Fluoro-DPD (2) completely inhibited bioluminescence and bacterial growth of Vibrio harveyi BB170 strain at 12.5 μM and 100 μM, respectively.

  3. Revisiting AI-2 quorum sensing inhibitors: direct comparison of alkyl-DPD analogues and a natural product fimbrolide.

    PubMed

    Lowery, Colin A; Abe, Takumi; Park, Junguk; Eubanks, Lisa M; Sawada, Daisuke; Kaufmann, Gunnar F; Janda, Kim D

    2009-11-04

    Quorum sensing (QS) systems have been discovered in a wide variety of bacteria, and mediate both intra- and interspecies communication. The AI-2-based QS system represents the most studied of these proposed interspecies systems and has been shown to regulate diverse functions such as bioluminescence, expression of virulence factors, and biofilm formation. As such, the development of modulatory compounds, both agonists and antagonists, is of great interest for the study of unknown AI-2-based QS systems and the potential treatment of bacterial infections. The fimbrolide class of natural products has exhibited excellent inhibitory activity against AI-2-based QS and as such may be considered the "gold standard" of AI-2 inhibitors. Thus, we sought to include a fimbrolide as a control compound for our recently developed alkyl-DPD panel of AI-2 modulators. Herein, we present a revised synthesis of a commonly studied fimbrolide as well as a direct comparison between the fimbrolide and alkyl-DPD analogues. We demonstrate that our alkyl-DPD analogues are more potent inhibitors of QS in both Vibrio harveyi and Salmonella typhimurium, the two organisms with defined AI-2 QS systems, and in doing so call into question the widely accepted use of fimbrolide-derived compounds as the "gold standard" of AI-2 inhibition.

  4. Genotyping of a family with a novel deleterious DPYD mutation supports the pretherapeutic screening of DPD deficiency with dihydrouracil/uracil ratio.

    PubMed

    Thomas, F; Hennebelle, I; Delmas, C; Lochon, I; Dhelens, C; Garnier Tixidre, C; Bonadona, A; Penel, N; Goncalves, A; Delord, J P; Toulas, C; Chatelut, E

    2016-02-01

    Despite the growing evidence that dihydropyrimidine dehydrogenase deficiency (DPD, encoded by the DPYD gene) confers a higher risk of developing severe toxicity, most patients are not screened for DPD deficiency before fluoropyrimidine treatment. We report here the genetic and phenotypic analyses of DPD in a family related to a patient who died after a first cycle of 5-fluorouracil and in 15 additional retrospective patients having a partial DPD deficiency (as measured by plasma dihydrouracil/uracil ratio). The patient with lethal toxicity was found to be a compound heterozygote for two DPYD mutations: a novel 8-bp duplication (c.168_175dupGAATAATT, p.Phe59Ter) and c.1679T>G (Ile560Ser). The patient's dihydrouracil/uracil ratio indicates complete DPD deficiency. The novel mutation was found in two members of the patient's family. Deleterious DPYD mutations were identified in 9 out of the 15 patients. The relationship between genotype and dihydrouracil/uracil values in the 22 patients of the present study was significant (P = 0.01).

  5. Effects of 1, 6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane (DPD), a reactive oxygen species and apoptosis inducing agent, on human leukemia cells in vitro and in vivo

    SciTech Connect

    Chang, Y.F.; Chi, C.W.; Chern, Y.T.; Wang, J.J. . E-mail: ccwang@ntcn.edu.tw

    2005-01-01

    1, 6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantine (DPD), a new cytostatic and differentiation inducing agent, was found to inhibit the growth of several cancer cell lines in the National Cancer Institute (NCI) Anticancer Drug Screen system. Previously, we demonstrated that DPD inhibited the growth of human colon cancer cell lines both in vitro and in vivo. In this study, we examined the anticancer effects of DPD on two human leukemia cells lines. DPD exerted growth inhibitory activities in vitro against two human leukemia cell lines, the promyeloid line HL-60 and the lymphoblastic line Molt-3. The in vivo effect of tumor growth suppression by DPD was also observed in mouse xenografts. No acute toxicity was observed after an intra-peritoneal challenge of DPD in 'severe combined immune-deficiency' (SCID) mice twice a week. The in vitro study showed HL-60 was more sensitive to DPD than Molt-3 through induction of G{sub 0}/G{sub 1} cell-cycle arrest with the appearance of a hypodiploid DNA fraction. The increased superoxide (O{sub 2}{sup -}), dissipation of the mitochondrial membrane potential, activation of caspase 3, and increase in annexin V binding were evident before apoptosis in DPD-treated cells. The superoxide dismutase 1 (SOD1) mRNA expression was also decreased in DPD-treated HL-60 and Molt-3 cells. Thus, it appeared that inhibition of SOD might be the major cause for the production of cellular superoxide with concomitant decrease of H{sub 2}O{sub 2} in DPD-treated cells. Addition of antioxidant can reduce DPD-induced mitochondrial damage, caspase activation, and annexin V binding in HL-60 cells. The results suggest that the cellular generation of O{sub 2}{sup -} plays a role in initiating and coordinating DPD-mediated growth arrest and apoptosis of HL-60 cells. Importantly, addition of arsenic trioxide, a compound capable of reactive oxygen species (ROS) generation, significantly enhanced the in vitro activity of DPD. These results suggest that DPD

  6. MD/DPD Multiscale Framework for Predicting Morphology and Stresses of Red Blood Cells in Health and Disease

    PubMed Central

    Chang, Hung-Yu; Li, Xuejin; Li, He; Karniadakis, George Em

    2016-01-01

    Healthy red blood cells (RBCs) have remarkable deformability, squeezing through narrow capillaries as small as 3 microns in diameter without any damage. However, in many hematological disorders the spectrin network and lipid bilayer of diseased RBCs may be significantly altered, leading to impaired functionality including loss of deformability. We employ a two-component whole-cell multiscale model to quantify the biomechanical characteristics of the healthy and diseased RBCs, including Plasmodium falciparum-infected RBCs (Pf-RBCs) and defective RBCs in hereditary disorders, such as spherocytosis and elliptocytosis. In particular, we develop a two-step multiscale framework based on coarse-grained molecular dynamics (CGMD) and dissipative particle dynamics (DPD) to predict the static and dynamic responses of RBCs subject to tensile forcing, using experimental information only on the structural defects in the lipid bilayer, cytoskeleton, and their interaction. We first employ CGMD on a small RBC patch to compute the shear modulus, bending stiffness, and network parameters, which are subsequently used as input to a whole-cell DPD model to predict the RBC shape and corresponding stress field. For Pf-RBCs at trophozoite and schizont stages, the presence of cytoadherent knobs elevates the shear response in the lipid bilayer and stiffens the RBC membrane. For RBCs in spherocytosis and elliptocytosis, the bilayer-cytoskeleton interaction is weakened, resulting in substantial increase of the tensile stress in the lipid bilayer. Furthermore, we investigate the transient behavior of stretching deformation and shape relaxation of the normal and defective RBCs. Different from the normal RBCs possessing high elasticity, our simulations reveal that the defective RBCs respond irreversibly, i.e., they lose their ability to recover the normal biconcave shape in successive loading cycles of stretching and relaxation. Our findings provide fundamental insights into the microstructure

  7. MD/DPD Multiscale Framework for Predicting Morphology and Stresses of Red Blood Cells in Health and Disease.

    PubMed

    Chang, Hung-Yu; Li, Xuejin; Li, He; Karniadakis, George Em

    2016-10-01

    Healthy red blood cells (RBCs) have remarkable deformability, squeezing through narrow capillaries as small as 3 microns in diameter without any damage. However, in many hematological disorders the spectrin network and lipid bilayer of diseased RBCs may be significantly altered, leading to impaired functionality including loss of deformability. We employ a two-component whole-cell multiscale model to quantify the biomechanical characteristics of the healthy and diseased RBCs, including Plasmodium falciparum-infected RBCs (Pf-RBCs) and defective RBCs in hereditary disorders, such as spherocytosis and elliptocytosis. In particular, we develop a two-step multiscale framework based on coarse-grained molecular dynamics (CGMD) and dissipative particle dynamics (DPD) to predict the static and dynamic responses of RBCs subject to tensile forcing, using experimental information only on the structural defects in the lipid bilayer, cytoskeleton, and their interaction. We first employ CGMD on a small RBC patch to compute the shear modulus, bending stiffness, and network parameters, which are subsequently used as input to a whole-cell DPD model to predict the RBC shape and corresponding stress field. For Pf-RBCs at trophozoite and schizont stages, the presence of cytoadherent knobs elevates the shear response in the lipid bilayer and stiffens the RBC membrane. For RBCs in spherocytosis and elliptocytosis, the bilayer-cytoskeleton interaction is weakened, resulting in substantial increase of the tensile stress in the lipid bilayer. Furthermore, we investigate the transient behavior of stretching deformation and shape relaxation of the normal and defective RBCs. Different from the normal RBCs possessing high elasticity, our simulations reveal that the defective RBCs respond irreversibly, i.e., they lose their ability to recover the normal biconcave shape in successive loading cycles of stretching and relaxation. Our findings provide fundamental insights into the microstructure

  8. Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations.

    PubMed

    Deguillard, E; Pannacci, N; Creton, B; Rousseau, B

    2013-04-14

    We have computed interfacial tension in oil-water-surfactant model systems using dissipative particle dynamics (DPD) simulations. Oil and water molecules are modelled as single DPD beads, whereas surfactant molecules are composed of head and tail beads linked together by a harmonic potential to form a chain molecule. We have investigated the influence of the harmonic potential parameters, namely, the force constant K and the equilibrium distance r0, on the interfacial tension values. For both parameters, the range investigated has been chosen in agreement with typical values in the literature. Surprisingly, we observe a large effect on interfacial tension values, especially at large surfactant concentration. We demonstrate that, due to a subtle balance between intra-molecular and inter-molecular interactions, the local structure of surfactants at the oil-water interface is modified, the interfacial tension is changed and the interface stability is affected.

  9. Characteristic of core materials in polymeric micelles effect on their micellar properties studied by experimental and dpd simulation methods.

    PubMed

    Cheng, Furong; Guan, Xuewa; Cao, Huan; Su, Ting; Cao, Jun; Chen, Yuanwei; Cai, Mengtan; He, Bin; Gu, Zhongwei; Luo, Xianglin

    2015-08-15

    Polymeric micelles are one important class of nanoparticles for anticancer drug delivery, but the impact of hydrophobic segments on drug encapsulation and release is unclear, which deters the rationalization of drug encapsulation into polymeric micelles. This paper focused on studying the correlation between the characteristics of hydrophobic segments and encapsulation of structurally different drugs (DOX and β-carotene). Poly(ϵ-caprolactone) (PCL) or poly(l-lactide) (PLLA) were used as hydrophobic segments to synthesize micelle-forming amphiphilic block copolymers with the hydrophilic methoxy-poly(ethylene glycol) (mPEG). Both blank and drug loaded micelles were spherical in shape with sizes lower than 50 nm. PCL-based micelles exhibited higher drug loading capacity than their PLLA-based counterparts. Higher encapsulation efficiency of β-carotene was achieved compared with DOX. In addition, both doxorubicin and β-carotene were released much faster from PCL-based polymeric micelles. Dissipative particle dynamics (DPD) simulation revealed that the two drugs tended to aggregate in the core of the PCL-based micelles but disperse in the core of PLLA based micelles. In vitro cytotoxicity investigation of DOX loaded micelles demonstrated that a faster drug release warranted a more efficient cancer-killing effect. This research could serve as a guideline for the rational design of polymeric micelles for drug delivery.

  10. Viscous flow simulation in a stenosis model using discrete particle dynamics: a comparison between DPD and CFD.

    PubMed

    Feng, Rui; Xenos, Michalis; Girdhar, Gaurav; Kang, Wei; Davenport, James W; Deng, Yuefan; Bluestein, Danny

    2012-01-01

    Flow and stresses induced by blood flow acting on the blood cellular constituents can be represented to a certain extent by a continuum mechanics approach down to the order of the μm level. However, the molecular effects of, e.g., adhesion/aggregation bonds of blood clotting can be on the order of nm. The coupling of the disparate length and timescales between such molecular levels and macroscopic transport represents a major computational challenge. To address this challenge, a multiscale numerical approach based on discrete particle dynamics (DPD) methodology derived from molecular dynamics (MD) principles is proposed. The feasibility of the approach was firstly tested for its ability to simulate viscous flow conditions. Simulations were conducted in low Reynolds numbers flows (Re = 25-33) through constricted tubes representing blood vessels with various degrees of stenosis. Multiple discrete particles interacting with each other were simulated, with 1.24-1.36 million particles representing the flow domain and 0.4 million particles representing the vessel wall. The computation was carried out on the massive parallel supercomputer NY BlueGene/L employing NAMD-a parallel MD package for high performance computing (HPC). Typical recirculation zones were formed distal to the stenoses. The velocity profiles and recirculation zones were in excellent agreement with computational fluid dynamics (CFD) 3D Navier-Stokes viscous fluid flow simulations and with classic numerical and experimental results by YC Fung in constricted tubes. This feasibility analysis demonstrates the potential of a methodology that widely departs from a continuum approach to simulate multiscale phenomena such as flow induced blood clotting.

  11. Utility of 11C-methionine and 11C-donepezil for imaging of Staphylococcus aureus induced osteomyelitis in a juvenile porcine model: comparison to autologous 111In-labelled leukocytes, 99mTc-DPD, and 18F-FDG

    PubMed Central

    Afzelius, Pia; Alstrup, Aage KO; Schønheyder, Henrik C; Borghammer, Per; Jensen, Svend B; Bender, Dirk; Nielsen, Ole L

    2016-01-01

    The aim of this study was to compare 11C-methionine and 11C-donepezil positron emission tomography (PET) with 111In-labeled leukocyte and 99mTc-DPD (Tc-99m 3,3-diphosphono-1,2-propanedicarboxylic acid) single-photon emission computed tomography (SPECT), and 18F-fluorodeoxyglucose (18F-FDG) PET to improve detection of osteomyelitis. The tracers’ diagnostic utility where tested in a juvenile porcine hematogenously induced osteomyelitis model comparable to osteomyelitis in children. Five 8-9 weeks old female domestic pigs were scanned seven days after intra-arterial inoculation in the right femoral artery with a porcine strain of Staphylococcus aureus. The sequential scan protocol included Computed Tomography, 11C-methionine and 11C-donepezil PET, 99mTc-DPD and 111In-labelled leukocytes scintigraphy, and 18F-FDG PET. This was followed by necropsy of the pigs and gross pathology, histopathology, and microbial examination. The pigs developed a total of 24 osteomyelitic lesions, 4 lesions characterized as contiguous abscesses and pulmonary abscesses (in two pigs). By comparing the 24 osteomyelitic lesions, 18F-FDG accumulated in 100%, 111In-leukocytes in 79%, 11C-methionine in 79%, 11C-donepezil in 58%, and 99mTc-DPD in none. Overall, 18F-FDG PET was superior to 111In-leukocyte SPECT and 11C-methionine in marking infectious lesions. PMID:28078182

  12. Utility of (11)C-methionine and (11)C-donepezil for imaging of Staphylococcus aureus induced osteomyelitis in a juvenile porcine model: comparison to autologous (111)In-labelled leukocytes, (99m) Tc-DPD, and (18)F-FDG.

    PubMed

    Afzelius, Pia; Alstrup, Aage Ko; Schønheyder, Henrik C; Borghammer, Per; Jensen, Svend B; Bender, Dirk; Nielsen, Ole L

    2016-01-01

    The aim of this study was to compare (11)C-methionine and (11)C-donepezil positron emission tomography (PET) with (111)In-labeled leukocyte and (99m) Tc-DPD (Tc-99m 3,3-diphosphono-1,2-propanedicarboxylic acid) single-photon emission computed tomography (SPECT), and (18)F-fluorodeoxyglucose ((18)F-FDG) PET to improve detection of osteomyelitis. The tracers' diagnostic utility where tested in a juvenile porcine hematogenously induced osteomyelitis model comparable to osteomyelitis in children. Five 8-9 weeks old female domestic pigs were scanned seven days after intra-arterial inoculation in the right femoral artery with a porcine strain of Staphylococcus aureus. The sequential scan protocol included Computed Tomography, (11)C-methionine and (11)C-donepezil PET, (99m) Tc-DPD and (111)In-labelled leukocytes scintigraphy, and (18)F-FDG PET. This was followed by necropsy of the pigs and gross pathology, histopathology, and microbial examination. The pigs developed a total of 24 osteomyelitic lesions, 4 lesions characterized as contiguous abscesses and pulmonary abscesses (in two pigs). By comparing the 24 osteomyelitic lesions, (18)F-FDG accumulated in 100%, (111)In-leukocytes in 79%, (11)C-methionine in 79%, (11)C-donepezil in 58%, and (99m) Tc-DPD in none. Overall, (18)F-FDG PET was superior to (111)In-leukocyte SPECT and (11)C-methionine in marking infectious lesions.

  13. Polymer translocation through a nanopore: DPD study.

    PubMed

    Yang, Kan; Vishnyakov, Aleksey; Neimark, Alexander V

    2013-04-04

    Translocation of a polymer chain through a narrow pore is explored using 3D explicit solvent dissipative particle dynamics simulation. We study the dependence of the translocation dynamics and translocation time τ on the chain length N, driving force magnitude E, and solvent quality. Two types of driving forces are considered: uniform hydrostatic force, which is applied equally to the chain and solvent particles, and uniform electrostatic force, which is applied selectively to the charged particles in the chain and oppositely charged counterions in the solvent. We concluded that the scaling correlations τ ~ E(-ξ) and τ ~ N(β) are valid only for coil-like chains. For globular chains, the exponents ξ and β could not be identified with a reasonable accuracy. While the found value of ξ agrees with published experimental results and does not depend on the driving force type, the exponent β depends on the driving force and solvent quality. This is explained by nonequilibrium effects, as in the systems considered, the time of translocation is comparable with the time of chain relaxation. These effects, manifested in the changes of chain conformation in the process of translocation, were analyzed on the basis of the variation of the gyration radii of cis and trans segments of the chain in normal and lateral directions. A prominent chain expansion was observed for coils and was insignificant for globules. This work demonstrates the feasibility of the 3D dissipative particle dynamics modeling of translocation phenomena and accounting for the electrostatic interactions with explicit counterions, as well as for the solvent quality, in a computationally efficient manner.

  14. Salud mental en desastres naturales: estrategias interventivas con adultos mayores en sectores rurales de Chile.

    PubMed

    Osorio-Parraguez, Paulina; Espinoza, Adriana

    2016-06-01

    En el presente artículo se da a conocer una estrategia de intervención llevada a cabo con adultos mayores en la comuna de Paredones, sexta región de Chile, con posterioridad al terremoto y tsunami del 27 de febrero 2010 en Chile, en el contexto de una investigación sobre fortalezas y vulnerabilidades desplegadas por este grupo etario, con posterioridad a un desastre natural. Se presenta una descripción del desarrollo metodológico de la intervención y de los sustentos teóricos y conceptuales en los que se basa. Como resultado de este proceso, se propone una estrategia que trabaje a través de la identificación de las propias experiencias y fortalezas de los sujetos. De tal forma se minimizan los efectos negativos de los determinantes sociales de la salud (como la edad y el lugar de residencia) en contexto de crisis; permitiendo a los adultos mayores fortalecer sus recursos individuales y colectivos, en pro de su bienestar psicosocial.

  15. Clients with MMPI High D-PD: Therapy Implications.

    ERIC Educational Resources Information Center

    Anderson, Wayne; Bauer, Barbara

    1985-01-01

    Compared personal characteristics of 80 counseling clients with elevated 2-4 (Depression-Psychiatric Deviate) scales on their Minnesota Multiphasic Personality Inventory and 109 clients without elevations. Results indicated that clients with 2-4 elevations were significantly more depressed, had lower self-esteem, and were more likely to come from…

  16. Modeling Viscoelastic Properties of Triblock Copolymers: A DPD Simulation Study

    DTIC Science & Technology

    2009-08-01

    et al .17,18 studied the micellar organization and rheology of the triblock gels and found that equilibrium...Rousseau, B. Polymer 2007, 48, 3584–3592. 51 Masubuchi, Y.; Ianniruberto, G.; Greco, F.; Marrucci, G. J Non-Cryst Solids 2006, 352, 5001–5007. ARTICLE MODELING VISCOELASTIC PROPERTIES, SLIOZBERG ET AL . 25 ...SLIOZBERG ET AL . 15 as: r(x) ¼ Ax (G0(x)sin(xt)þ G00(x)cos(xt)), where Ax is the amplitude. The storage modulus, G0(x), characterizes the

  17. Estrategia innovadora enfocada en parejas del mismo sexo para disminuir la infección del VIH en hombres Latinos

    PubMed Central

    Martinez, Omar; Wu, Elwin; Sandfort, Theo; Shultz, Andrew Z.; Capote, Jonathan; Chávez, Silvia; Moya, Eva; Dodge, Brian; Morales, Gabriel; Porras, Antonio; Ovejero, Hugo

    2014-01-01

    Resumen El VIH es un problema de salud importante dentro de la comunidad latina de los Estados Unidos. Gracias a los esfuerzos de prevención, los niveles de contagio entre los latinos se han mantenido estables por más de una década. Sin embargo, esta población sigue siendo afectada a niveles muy altos, en particular entre hombres que tienen sexo con hombres (HSH), de origen latino y que hablan principalmente el idioma español. Existen varios factores que contribuyen a la transmisión del VIH entre esta población, como son: el uso de drogas; la violencia dentro de la pareja; la presencia de infecciones de transmisión sexual; relaciones sexuales sin protección, dentro y fuera de la pareja; el evadir la búsqueda de recursos (prueba y tratamiento adecuado) por temor a ser discriminado o por su estatus migratorio; la escasez de recursos económicos o estado de pobreza y los patrones relacionados a la migración. En particular, Investigaciones Epidemiológicas de Comportamientos han determinado: cómo algunas dinámicas en parejas están directamente asociadas a los comportamientos sexuales de riesgos. En consecuencia, es necesaria mayor investigación para identificar esas dinámicas, y a su vez, realizar intervenciones dirigidas a la reducción de conductas de riesgo enfocadas en parejas de hombres del mismo sexo. En este escrito, se describe la importancia del uso de las relaciones de pareja como estrategia en la reducción de la trasmisión del VIH/SIDA en HSH de origen latino y que hablan principalmente el idioma español en los Estados Unidos. PMID:25580466

  18. Pincharse sin infectarse: estrategias para prevenir la infección por el VIH y el VHC entre usuarios de drogas inyectables

    PubMed Central

    MATEU-GELABERT, P.; FRIEDMAN, S.; SANDOVAL, M.

    2011-01-01

    Resumen Objetivo Desde principios de los noventa, en la ciudad de Nueva York se han implementado con éxito programas para reducir la incidencia del virus de la inmunodeficiencia humana (VIH) y, en menor medida, del virus de la hepatitis C (VHC). A pesar de ello, aproximadamente el 70% de los usuario de drogas inyectables (UDI) están infectados por el VHC. Queremos investigar cómo el 30% restante se las ha arreglado para no infectarse. El Staying safe (nombre original del estudio) explora los comportamientos y mecanismos que ayudan a evitar la infección por el VHC y el VIH a largo plazo. Material y métodos Hemos utilizado el concepto de «desviación positiva» aplicado en otros campos de salud pública. Estudiamos las estrategias, prácticas y tácticas de prevención de aquellos UDI que, viviendo en contextos de alta prevalencia, se mantienen sin infectar por VIH y el VHC, a pesar de haberse inyectado heroína durante años. Los resultados preliminares presentados en este artículo incluyen el análisis de las entrevistas realizadas a 25 UDI (17 doble negativos, 3 doble positivos y 5 con infección por el VHC y sin infección por el VIH). Se usaron entrevistas semiestructuradas que exploraban con detalle la historia de vida de los sujetos, incluyendo su consumo de drogas, redes sociales, contacto con instituciones, relaciones sexuales y estrategias de protección y vigilancia. Resultados La intencionalidad es importante para no infectarse, especialmente durante períodos de involución (períodos donde hay un deterioro económico y/o social que llevan al que se inyecta a situaciones de mayor riesgo). Presentamos tres dimensiones independientes de intencionalidad que conllevan comportamientos que pueden ayudar a prevenir la infección: a) evitar «el mono» (síntomas de abstención) asegurando el acceso a la droga; b) «llevarlo bien» para no convertirse en un junkie y así evitar la «muerte social» y la falta de acceso a los recursos, y c) seguir sin

  19. LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics (DPD-E)

    DTIC Science & Technology

    2014-03-01

    prr ∆+← d. ∑ ≠ ∆ + ∆         −+← ij q ij Rq ij Dq ji ij cond i cond i ttuu 22 11 ςωαω...4 b. iii t Fpp 2 ∆ +← , where ∑ ≠ ++= ij R ij D ij C iji FFFF c. i i ii m t prr ∆+← d. ∑ ≠ ∆ + ∆         −+← ij q ij Rq ij Dq ji ij...pppppppp 2. Deterministic Integration #1: For Ni ,...,1= a. Ciii t Fpp 2 ∆ +← b. i i ii m t prr ∆+← 3. Conservative Force

  20. Influence of surface modification of halloysite nanotubes on their dispersion in epoxy matrix: Mesoscopic DPD simulation

    NASA Astrophysics Data System (ADS)

    Komarov, P.; Markina, A.; Ivanov, V.

    2016-06-01

    The problems of constructing of a meso-scale model of composites based on polymers and aluminosilicate nanotubes for prediction of the filler's spatial distribution at early stages of material formation have been considered. As a test system for the polymer matrix, the mixture of 3,4-epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate as epoxy resin monomers and 4-methylhexahydrophthalic anhydride as curing agent has been used. It is shown that the structure of a mixture of uncured epoxy resin and nanotubes is (mainly) determined by the surface functionalization of nanotubes. The results indicate that only nanotubes with maximum functionalization can preserve a uniform distribution in space.

  1. /sup 99m/Tc-DPD uptake in juvenile hemarthrosis. Scintimetry and autoradiography of the knee in dogs

    SciTech Connect

    Hansen, E.S.; Hjortdal, V.E.; Noer, I.; Christensen, S.B.; Holm, I.E.; Buenger, C.

    1989-03-01

    The pathogenesis of subchondral bone lesions and growth plate affection in hemophilic arthropathy was studied in puppies by means of repeated regional /sup 99m/Tc-diphosphonate scintimetry and contact autoradiography. Unilateral hemarthrosis of the knee was induced by biweekly intraarticular injections of autologous blood for 12 weeks. Hemarthrosis caused an early (2 to 4 weeks) decrease in uptake of /sup 99m/Tc-diphosphonate in the juxtaarticular growth plates (ratio 0.7) and a delayed (8 to 10 weeks) increase in epiphyseal uptake (ratio 1.5). In a recovery phase after hemarthrosis, growth plate uptake returned to normal, while the epiphyseal uptake remained elevated for 8 to 10 weeks. By contact autoradiography, the growth plate uptake was localized to the calcification layer at the metaphyseal aspect of the growth plates, while the epiphyseal uptake mainly was seen in the thin subchondral and subsynovial bone layer and around osteophytes. The changes in uptake of /sup 99m/Tc-diphosphonate following hemarthrosis for 3 months were reversible and could be ascribed to the presence of synovial inflammation.

  2. Thermostatic and rheological responses of DPD fluid to extreme shear under modified Lees-Edwards boundary condition.

    PubMed

    Moshfegh, Abouzar; Ahmadi, Goodarz; Jabbarzadeh, Ahmad

    2015-12-01

    Thermodynamic, hydrodynamic and rheological interactions between velocity-dependent thermostats of Lowe-Andersen (LA) and Nosé-Hoover-Lowe-Andersen (NHLA), and modified Lees-Edwards (M-LEC) boundary condition were studied in the context of Dissipative Particle Dynamics method. Comparisons were made with original Lees-Edwards method to characterise the improvements that M-LEC offers in conserving the induced shear momentum. Different imposed shear velocities, heat bath collision/exchange frequencies and thermostating probabilities were considered. The presented analyses addressed an unusual discontinuity in momentum transfer that appeared in form of nonphysical jumps in velocity and temperature profiles. The usefulness of M-LEC was then quantified by evaluating the enhancements in obtained effective shear velocity, effective shear rate, Péclet number, and dynamic viscosity. System exchange frequency (Γ) with Maxwellian heat bath was found to play an important role, in that its larger values facilitated achieving higher shear rates with proper temperature control at the cost of deviation from an ideal momentum transfer. Similar dynamic viscosities were obtained under both shearing modes between LA and NHLA thermostats up to Γ = 10, whilst about twice the range of viscosity (1 < η < 20) was calculated for M-LEC at larger probabilities (ΓΔt > %). The main benefits of this modification were to facilitate momentum flow from shear boundaries to the system bulk. In addition, it was found that there exist upper thresholds for imposing shear on the system beyond which temperature cannot be controlled properly and nonphysical jumps reappear.

  3. Clasificación de asterismos utilizando datos astrométricos

    NASA Astrophysics Data System (ADS)

    de Biasi, M. S.; Orellana, R. B.

    Based on accurate positions and proper motion data up to faint magnitudes, we have studied the regions of twenty three objects known in the literature as asterisms. A parametric method was applied to confirm the nature of these objects. The following objects have been classified: Alessi 11, Alessi 17, Brosch 1, Collinder 21, Dol-Dzim 1, Dolidze 31, Dolidze 43, Dolidze 50, Dolidze 51, NGC 272, NGC2063, NGC 2413, NGC 2664, NGC 5155, NGC 5284, NGC 6222, NGC 6360, NGC 6447, NGC 6476, NGC 6480, NGC 6605, NGC 6659, NGC 6728. FULL TEXT IN SPANISH

  4. Transport dissipative particle dynamics model for mesoscopic advection- diffusion-reaction problems

    SciTech Connect

    Zhen, Li; Yazdani, Alireza; Tartakovsky, Alexandre M.; Karniadakis, George E.

    2015-07-07

    We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic DPD framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between particles, and an analytical formula is proposed to relate the mesoscopic concentration friction to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers.

  5. An extended dissipative particle dynamics model

    NASA Astrophysics Data System (ADS)

    Cotter, C. J.; Reich, S.

    2003-12-01

    The method of dissipative particle dynamics (DPD) was introduced by Hoogerbrugge and Koelman (Europhys. Lett., 19 (1992) 155) to study meso-scale material processes. The theoretical investigation of the DPD method was initiated by Espanol (Phys. Rev. E, 52 (1995) 1734) who used a Fokker-Planck formulation of the DPD method and applied the Mori-Zwanzig projection operator calculus to obtain the equations of hydrodynamics for DPD. A current limitation of DPD is that it requires a clear separation of scales between the resolved and unresolved processes. In this letter, we suggest a simple extension of DPD that allows for inclusion of unresolved stochastic processes with exponentially decaying variance for any value of the decay rate, and give an application of this algorithm to the simulation of the shallow-water equations using the Hamiltonian particle-mesh method. The proposed extension is as easy to implement as the standard DPD methods.

  6. The New Room Arrangement as a Teaching Strategy = La Nueva Organizacion del Salon como Estrategia Educativa.

    ERIC Educational Resources Information Center

    Dodge, Diane Trister

    Many typical classroom behavior problems--running in the classroom, inability to make choices, failure to stick with activities, fighting over toys, and poor use of materials-- can be traced to how the room is arranged and how materials are displayed. By making a few changes in the classroom environment, early childhood teachers can create a…

  7. Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems

    NASA Astrophysics Data System (ADS)

    Li, Zhen; Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em

    2015-07-01

    We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between tDPD particles, and the advection is implicitly considered by the movements of these Lagrangian particles. An analytical formula is proposed to relate the tDPD parameters to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the conventional DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers.

  8. Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems

    PubMed Central

    Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em

    2015-01-01

    We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between tDPD particles, and the advection is implicitly considered by the movements of these Lagrangian particles. An analytical formula is proposed to relate the tDPD parameters to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the conventional DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers. PMID:26156459

  9. Estudio numerico y experimental del proceso de soldeo MIG sobre la aleacion 6063--T5 utilizando el metodo de Taguchi

    NASA Astrophysics Data System (ADS)

    Meseguer Valdenebro, Jose Luis

    Electric arc welding processes represent one of the most used techniques on manufacturing processes of mechanical components in modern industry. The electric arc welding processes have been adapted to current needs, becoming a flexible and versatile way to manufacture. Numerical results in the welding process are validated experimentally. The main numerical methods most commonly used today are three: finite difference method, finite element method and finite volume method. The most widely used numerical method for the modeling of welded joints is the finite element method because it is well adapted to the geometric and boundary conditions in addition to the fact that there is a variety of commercial programs which use the finite element method as a calculation basis. The content of this thesis shows an experimental study of a welded joint conducted by means of the MIG welding process of aluminum alloy 6063-T5. The numerical process is validated experimentally by applying the method of finite element through the calculation program ANSYS. The experimental results in this paper are the cooling curves, the critical cooling time t4/3, the weld bead geometry, the microhardness obtained in the welded joint, and the metal heat affected zone base, process dilution, critical areas intersected between the cooling curves and the curve TTP. The numerical results obtained in this thesis are: the thermal cycle curves, which represent both the heating to maximum temperature and subsequent cooling. The critical cooling time t4/3 and thermal efficiency of the process are calculated and the bead geometry obtained experimentally is represented. The heat affected zone is obtained by differentiating the zones that are found at different temperatures, the critical areas intersected between the cooling curves and the TTP curve. In order to conclude this doctoral thesis, an optimization has been conducted by means of the Taguchi method for welding parameters in order to obtain an improvement on mechanical properties in aluminum metal joint. Los procesos de soldadura por arco electrico representan unas de las tecnicas mas utilizadas en los procesos de fabricacion de componentes mecanicos en la industria moderna. Los procesos de soldeo por arco se han adaptado a las necesidades actuales, haciendose un modo de fabricacion flexible y versatil. Los resultados obtenidos numericamente en el proceso de soldadura son validados experimentalmente. Los principales metodos numericos mas empleados en la actualidad son tres, metodo por diferencias finitas, metodos por elementos finitos y metodo por volumenes finitos. El metodo numerico mas empleado para el modelado de uniones soldadas, es el metodo por elementos finitos, debido a que presenta una buena adaptacion a las condiciones geometricas y de contorno ademas de que existe una diversidad de programas comerciales que utilizan el metodo por elementos finitos como base de calculo. Este trabajo de investigacion presenta un estudio experimental de una union soldada mediante el proceso MIG de la aleacion de aluminio 6063-T5. El metodo numerico se valida experimentalmente aplicando el metodo de los elementos finitos con el programa de calculo ANSYS. Los resultados experimentales obtenidos son: las curvas de enfriamiento, el tiempo critico de enfriamiento t4/3, geometria del cordon, microdurezas obtenidas en la union soldada, zona afectada termicamente y metal base, dilucion del proceso, areas criticas intersecadas entre las curvas de enfriamiento y la curva TTP. Los resultados numericos son: las curvas del ciclo termico, que representan tanto el calentamiento hasta alcanzar la temperatura maxima y un posterior enfriamiento. Se calculan el tiempo critico de enfriamiento t4/3, el rendimiento termico y se representa la geometria del cordon obtenida experimentalmente. La zona afectada termicamente se obtiene diferenciando las zonas que se encuentran a diferentes temperaturas, las areas criticas intersecadas entre las curvas de enfriamiento y la curva TTP. Para finalizar el trabajo de investigacion se ha realizado una optimizacion, con la aplicacion del metodo de Taguchi, de los parametros de soldeo con el objetivo de obtener una mejora sustancial en las propiedades mecanicas de las uniones metalicas de aluminio.

  10. Actividad solar del ciclo 23. Predicción del máximo y fase decreciente utilizando redes neuronales

    NASA Astrophysics Data System (ADS)

    Parodi, M. A.; Ceccatto, H. A.; Piacentini, R. D.; García, P. J.

    Different methods have been proposed in order to predict the maximum amplitude of solar cycles, either as a consequence of the intrinsic importance of this event and because of its relation with solar storms and possible effects upon satellites, communication systems, etc. In this work, a neural network solar activity prediction is presented, measured through the sunspot number (SSN). The 16-units neural network, with a 12:3:1 architecture, was trained in a ``feed-forward" propagation way and learning by the so called ``back propagation rule". The annual mean SSN data in the 1700-1975 and 1987-1998 periods were used as the training set. The solar cycle 21 (1976-1986) was taken as the cross-validation data set. After performing the network training we obtained a prediction of the maximum annual mean for the current solar cycle 23, SSNmax= 135 ±17 at the year 2000, which is 13% smaller than the International Consensus Commitee's mean maximum prediction obtained through ``precursor techniques". On the other hand, our prediction is only about 4% smaller than the Consensus's neural network mean prediction. A ``multiple step" prediction technique was also performed and SSN annual mean predicted values for the near-maximum (from the present year 1999 to beyond the maximum) and the declining activity of solar cycle 23 are presented in this work. The sensibility of predictions is also tested. To do so, we changed the interval width and comparated our results with those of a previous neural network prediction and those of others authors using differents methods.

  11. Hacia la predicción del Número R de Wolf de manchas solares utilizando Redes Neuronales con retardos temporales

    NASA Astrophysics Data System (ADS)

    Francile, C.; Luoni, M. L.

    We present a prediction of the time series of the Wolf number R of sunspots using "time lagged feed forward neural networks". We use two types of networks: the focused and distributed ones which were trained with the back propagation of errors algorithm and the temporal back propagation algorithm respectively. As inputs to neural networks we use the time series of the number R averaged annually and monthly with the method IR5. As data sets for training and test we choose certain intervals of the time series similar to other works, in order to compare the results. Finally we discuss the topology of the networks used, the number of delays used, the number of neurons per layer, the number of hidden layers and the results in the prediction of the series between one and six steps ahead. FULL TEXT IN SPANISH

  12. Dissipative particle dynamics of diffusion-NMR requires high Schmidt-numbers

    NASA Astrophysics Data System (ADS)

    Azhar, Mueed; Greiner, Andreas; Korvink, Jan G.; Kauzlarić, David

    2016-06-01

    We present an efficient mesoscale model to simulate the diffusion measurement with nuclear magnetic resonance (NMR). On the level of mesoscopic thermal motion of fluid particles, we couple the Bloch equations with dissipative particle dynamics (DPD). Thereby we establish a physically consistent scaling relation between the diffusion constant measured for DPD-particles and the diffusion constant of a real fluid. The latter is based on a splitting into a centre-of-mass contribution represented by DPD, and an internal contribution which is not resolved in the DPD-level of description. As a consequence, simulating the centre-of-mass contribution with DPD requires high Schmidt numbers. After a verification for fundamental pulse sequences, we apply the NMR-DPD method to NMR diffusion measurements of anisotropic fluids, and of fluids restricted by walls of microfluidic channels. For the latter, the free diffusion and the localisation regime are considered.

  13. Phenotypic and clinical implications of variants in the dihydropyrimidine dehydrogenase gene.

    PubMed

    Kuilenburg, André B P van; Meijer, Judith; Tanck, Michael W T; Dobritzsch, Doreen; Zoetekouw, Lida; Dekkers, Lois-Lee; Roelofsen, Jeroen; Meinsma, Rutger; Wymenga, Machteld; Kulik, Wim; Büchel, Barbara; Hennekam, Raoul C M; Largiadèr, Carlo R

    2016-04-01

    Dihydropyrimidine dehydrogenase (DPD) is the initial and rate-limiting enzyme in the catabolism of the pyrimidine bases uracil, thymine and the antineoplastic agent 5-fluorouracil. Genetic variations in the gene encoding DPD (DPYD) have emerged as predictive risk alleles for 5FU-associated toxicity. Here we report an in-depth analysis of genetic variants in DPYD and their consequences for DPD activity and pyrimidine metabolites in 100 Dutch healthy volunteers. 34 SNPs were detected in DPYD and 15 SNPs were associated with altered plasma concentrations of pyrimidine metabolites. DPD activity was significantly associated with the plasma concentrations of uracil, the presence of a specific DPYD mutation (c.1905+1G>A) and the combined presence of three risk variants in DPYD (c.1905+1G>A, c.1129-5923C>G, c.2846A>T), but not with an altered uracil/dihydrouracil (U/UH2) ratio. Various haplotypes were associated with different DPD activities (haplotype D3, a decreased DPD activity; haplotype F2, an increased DPD activity). Functional analysis of eight recombinant mutant DPD enzymes showed a reduced DPD activity, ranging from 35% to 84% of the wild-type enzyme. Analysis of a DPD homology model indicated that the structural effect of the novel p.G401R mutation is most likely minor. The clinical relevance of the p.D949V mutation was demonstrated in a cancer patient heterozygous for the c.2846A>T mutation and a novel nonsense mutation c.1681C>T (p.R561X), experiencing severe grade IV toxicity. Our studies showed that the endogenous levels of uracil and the U/UH2 ratio are poor predictors of an impaired DPD activity. Loading studies with uracil to identify patients with a DPD deficiency warrants further investigation.

  14. Logistics Civil Augmentation Program Support Contract Needs to Comply With Acquisition Rules

    DTIC Science & Technology

    2011-01-07

    The LOGCAP DPD office in Kuwait assumed responsibility for assisting with developing more than $ 1 billion in annual requirements after the operations...The non- LOGCAP requirements were supported by 12 of 13 LOGCAP support contractor employees in the LOGCAP DPD office in Kuwait; only 1 LOGCAP...specialists, 3 cost analysts, and 1 administrative specialist. RICC personnel exercised Option Year 3 in February 2010, and definitized DPD support

  15. Cytotoxic activity of a synthetic deoxypodophyllotoxin derivative with an opened D-ring.

    PubMed

    Chen, Chuan; Wang, Cui-Cui; Wang, Zhong; Geng, Wen-Yue; Xu, Hui; Song, Xiao-Mei; Luo, Du-Qiang

    2016-05-01

    Podophyllotoxin and its synthetic derivatives are valuable medicinal agents that have antitumor, insecticidal, and antifungal properties. We previously synthesized a deoxypodophyllotoxin derivative with an opened D-ring (DPD) exhibiting potent insecticidal activity. This article was firstly performed to identify the cytotoxicity of DPD toward human cancer cell lines (SGC7901, HeLa, and A549) and normal cell line (HEK293T) using MTT assay. DPD showed potent cytotoxicity against human cancer lines (HeLa and A549) and less cytotoxicity against normal cell lines HEK293T. DPD could also induce the cell cycle arrest at G2/M phase in HeLa cells and significantly increase the phosphorylation (Tyr 15) of CDC2 leading to inactivation of CDC2. The effects of DPD on cellular microtubule networks were detected using immunofluorescence technique in HeLa cells. The immunofluorescence results showed DPD influenced the arrangement and organization of cellular microtubule networks in HeLa cells. Microtubules are long, hollow cylinders made up of polymerized tubulin dimers. Total microtubules were separated after DPD treatment. Western blot results showed that the free polymerized tubulin dimers were obviously increased after DPD treatment. DPD may be a good drug candidate with the therapeutic potential to human cancer by affecting microtubule polymerization.

  16. Polarizable water model for Dissipative Particle Dynamics

    NASA Astrophysics Data System (ADS)

    Pivkin, Igor; Peter, Emanuel

    2015-11-01

    Dissipative Particle Dynamics (DPD) is an efficient particle-based method for modeling mesoscopic behavior of fluid systems. DPD forces conserve the momentum resulting in a correct description of hydrodynamic interactions. Polarizability has been introduced into some coarse-grained particle-based simulation methods; however it has not been done with DPD before. We developed a new polarizable coarse-grained water model for DPD, which employs long-range electrostatics and Drude oscillators. In this talk, we will present the model and its applications in simulations of membrane systems, where polarization effects play an essential role.

  17. Functional study of dextran-graft-poly((2-dimethyl amino)ethyl methacrylate) gene delivery vector for tumor therapy.

    PubMed

    Li, Wen-Bin; Yuan, Wei; Xu, Fu-Jian; Zhao, Chen; Ma, Jie; Zhan, Qi-Min

    2013-07-01

    The obstacle of gene therapy is the shortage of efficient delivery system. The development of the gene delivery system with high transfection efficiency and low toxicity appears to be crucial. Recently, we reported that the dextran-graft-poly((2-dimethyl amino)ethyl methacrylate) (DPD) can be potentially used as efficient gene vector. Herein, DPD was systematically studied for its potential in tumor gene therapy. DPD was synthesized and characterized by agarose gel electrophoresis, particle size and zeta potential. The particle size and zeta potential of the DPD/enhanced green fluorescent protein (pEGFP-C1) plasmid complexes at various N/P ratios were 130-150 nm and about 40 mV, respectively. The results showed that DPD exhibit a higher transfection effect compared with Lipofectamine 2K (Lipo 2K), a commercialized vector. The possibility of DPD in gene therapy was evaluated using p53, a gene that has been wildly applied in the research of cancer gene therapy. DPD/pEGFP-C1-p53 complex was found to be able to inhibit tumor cell proliferation through cell cycle arrest and apoptosis. Moreover, the tumor growth was found to be restrained when DPD/pEGFP-C1-p53 complex was used in a xenograft MCF7 tumor model in vivo. These observations indicated that DPD/pEGFP-C1-p53 complex may be considered to be an efficient delivery system for tumor gene therapy.

  18. 1,6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl] diamantane potentiates in vitro and in vivo antitumor effects of irinotecan on human colorectal cancer cells.

    PubMed

    Yang, Po-Sheng; Wang, Jane-Jen; Wang, Yea-Hwey; Jan, Woan-Ching; Cheng, Shih-Ping; Hsu, Yi-Chiung

    2016-05-01

    1,6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl] diamantane (DPD), a diamantane derivative, was previously noted as an anticancer compound through anticancer drug screening with NCI-60 human tumor cells. Irinotecan (CPT-11), a semisynthetic derivative of camptothecin, is clinically active in the treatment of colorectal cancer, with no cross-resistance. The current study conducted a pharmacokinetic evaluation of DPD, an essential component of drug discovery. Subsequent pathway analysis of microarray gene expression data indicated that the anticancer mechanisms of DPD were associated with cell cycle progression and apoptosis. The combined effect of DPD and CPT-11 with regard to the mechanisms of apoptosis-related pathways in COLO 205 cells, and the antitumor effects in colon cancer xenograft mice, were investigated. The plasma concentration and pharmacokinetic parameters of DPD in male albino rats were analyzed following a single dose of DPD by injection. The protein expression of active caspase-3, procaspase-3 and poly ADP-ribose polymerase (PARP) in COLO 205 cells treated with DPD and CPT-11, alone or combined, was evaluated by western blotting. A trypan blue dye exclusion assay revealed that, whilst DPD alone demonstrated good antitumor effects, this effect was potentiated when combined with CPT-11. Combined treatment with DPD and CPT-11 upregulated the expression of cleaved PARP, procaspase-3, caspase-3 and active caspase-3 in COLO 205 cells. In the colon cancer xenograft model, compared with the control (vehicle-treated) mice, the sizes of the tumors were significantly lower in mice treated with DPD and CPT-11, alone or in combination. Thus, DPD may be a potential therapeutic agent for the treatment of colorectal cancer via upregulating apoptosis-related pathways.

  19. Spatial Analysis of Drug Poisoning Deaths in the American West, particularly Utah

    PubMed Central

    Kerry, Ruth; Goovaerts, Pierre; Vowles, Maureen; Ingram, Ben

    2016-01-01

    Background Most states in the Western US have high rates of drug poisoning death (DPD), especially New Mexico, Nevada, Arizona and Utah (UT). This seems paradoxical in UT where illicit drug use, smoking and drinking rates are low. To investigate this, spatial analysis of county level DPD data and other relevant factors in the Western US and UT was undertaken. Methods Poisson kriging was used to smooth the DPD data, populate data gaps and improve the reliability of rates recorded in sparsely populated counties. Links between DPD and economic, environmental, health, lifestyle, and demographic factors were investigated at four scales using multiple linear regression. LDS church membership and altitude, factors not previously considered, were included. Spatial change in the strength and sign of relationships was investigated using geographically weighted regression and significant DPD clusters were identified using the Local Moran’s I. Results Economic factors, like the sharp social gradient between rural and urban areas were important to DPD throughout the west. Higher DPD rates were also found in areas of higher elevation and the desert rural areas in the south. The unique characteristics of DPD in UT in terms of health and lifestyle factors, as well as the demographic structure of DPD in the most LDS populous states (UT, Idaho, Wyoming), suggest that high DPD in heavily LDS areas are predominantly prescription opioid related whereas in other Western states a larger proportion of DPD might come from illicit drugs. Conclusions Drug policies need to be adapted to the geographical differences in the dominant type of drug causing death. Educational materials need to be marketed to the demographic groups at greatest risk and take into account differences in population characteristics between and within States. Some suggestions about how such adaptations can be made are given and future research needs outlined. PMID:27286759

  20. 1,6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl] diamantane potentiates in vitro and in vivo antitumor effects of irinotecan on human colorectal cancer cells

    PubMed Central

    YANG, PO-SHENG; WANG, JANE-JEN; WANG, YEA-HWEY; JAN, WOAN-CHING; CHENG, SHIH-PING; HSU, YI-CHIUNG

    2016-01-01

    1,6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl] diamantane (DPD), a diamantane derivative, was previously noted as an anticancer compound through anticancer drug screening with NCI-60 human tumor cells. Irinotecan (CPT-11), a semisynthetic derivative of camptothecin, is clinically active in the treatment of colorectal cancer, with no cross-resistance. The current study conducted a pharmacokinetic evaluation of DPD, an essential component of drug discovery. Subsequent pathway analysis of microarray gene expression data indicated that the anticancer mechanisms of DPD were associated with cell cycle progression and apoptosis. The combined effect of DPD and CPT-11 with regard to the mechanisms of apoptosis-related pathways in COLO 205 cells, and the antitumor effects in colon cancer xenograft mice, were investigated. The plasma concentration and pharmacokinetic parameters of DPD in male albino rats were analyzed following a single dose of DPD by injection. The protein expression of active caspase-3, procaspase-3 and poly ADP-ribose polymerase (PARP) in COLO 205 cells treated with DPD and CPT-11, alone or combined, was evaluated by western blotting. A trypan blue dye exclusion assay revealed that, whilst DPD alone demonstrated good antitumor effects, this effect was potentiated when combined with CPT-11. Combined treatment with DPD and CPT-11 upregulated the expression of cleaved PARP, procaspase-3, caspase-3 and active caspase-3 in COLO 205 cells. In the colon cancer xenograft model, compared with the control (vehicle-treated) mice, the sizes of the tumors were significantly lower in mice treated with DPD and CPT-11, alone or in combination. Thus, DPD may be a potential therapeutic agent for the treatment of colorectal cancer via upregulating apoptosis-related pathways. PMID:27123150

  1. Steps toward Unifying Dual Language Programs, Common Core State Standards, and Critical Pedagogy: Oportunidades, Estrategias Y Retos

    ERIC Educational Resources Information Center

    Alfaro, Cristina; Durán, Richard; Hunt, Alexandra; Aragón, María José

    2014-01-01

    Recent education reforms have begun to reframe academic discussion and teacher practice surrounding bilingual educational approaches for preparing "21st century, college and career ready" citizens. Given this broader context, in this article we examine ways that we might join implementation of dual language programs, Common Core State…

  2. Educacion en Poblaciones Indigenas: Politicas y Estrategias en America Latina. (Education for Indigenous Populations: Policies and Strategies in Latin America).

    ERIC Educational Resources Information Center

    Zuniga, Madeleine, Ed.; And Others

    This document is a compilation of 20 papers from a seminar on educational policy and strategy for educating the indigenous peoples of Latin America and Mexico. There is a growing awareness among linguistics and anthropology specialists and educators of the necessity to validate education that respects the values of an indigenous culture. This…

  3. Application of the dissipative particle dynamics method to the instability problem of a liquid thread

    NASA Astrophysics Data System (ADS)

    Mo, Chao-jie; Qin, Li-zi; Zhao, Fei; Yang, Li-jun

    2016-12-01

    We investigate the application of the dissipative particle dynamics method to the instability problem of a long liquid thread surrounded by another fluid. The dispersion curves obtained from simulations are compared with classic theoretical predictions. The results from standard dissipative particle dynamics (DPD) simulations at first have a tendency of gradually approaching to Tomotika's Stokes flow prediction when the Reynolds number is decreased. But they then abnormally deviate again when the viscosity is very large. The same phenomenon is also confirmed in droplet retraction simulations when also compared with theoretical Stokes flow results. On the other hand, when a hard-core DPD model is used, with the decrease of the Reynolds number the simulation results did finally approach Tomotika's predictions when Re ≈0.1 . A combined presentation of the hard-core DPD results and the standard DPD results, excluding the abnormal ones, demonstrates that they are approximately on a continuum when labeled with Reynolds number. These results suggest that the standard DPD method is a suitable method for investigation of the instability problem of immersed liquid thread in the inertioviscous regime (0.1 DPD fluid, while the hard-core DPD is suitable to overcome this inferiority with standard DPD.

  4. Using the Principles of Differentiated Instruction to Improve Professional Development

    ERIC Educational Resources Information Center

    Lentz, Daniel E.

    2014-01-01

    The purpose of this study was to create a model of Differentiated Professional Development (DPD) that is a more effective method of professional development due to the addition of the principles of differentiated instruction (DI). The DPD model was created by combining previous studies on effective elements of professional development with the…

  5. Attributions, appraisals and attention for symptoms in depersonalisation disorder.

    PubMed

    Hunter, Elaine C M; Salkovskis, Paul M; David, Anthony S

    2014-02-01

    A cognitive-behavioural model of depersonalisation disorder (DPD) suggests that catastrophic attributions and appraisals, and increased attention to symptoms, play important roles in the development and maintenance of the disorder. Empirical testing of this model was investigated in three groups: 25 patients with DPD, 21 patients with anxiety (obsessive-compulsive or panic disorder), and 22 psychiatrically healthy participants. Task 1 examined attributions for ambiguous symptoms. Task 2 used a questionnaire to compare the groups on the content, frequency, and conviction in appraisals when participants worried about their health. Task 3 employed four experimental manipulations designed to either increase, or decrease, attention to catastrophic appraisals and/or symptoms of DPD. Results indicate that the DPD group make less normalising attributions for symptoms (Task 1) and have more catastrophic appraisals (Task 2) than those in the Healthy Control group. The DPD and Anxiety groups were similar in their patterns of appraisals and attributions. In Task 3, the DPD group showed a perceived reduction in DPD severity when their attention was focussed on cognitively demanding tasks, whereas the other two groups showed an increase. The findings are consistent with the hypothesis that these cognitive processes play an important role in the development and maintenance of DPD.

  6. Application of the dissipative particle dynamics method to the instability problem of a liquid thread.

    PubMed

    Mo, Chao-Jie; Qin, Li-Zi; Zhao, Fei; Yang, Li-Jun

    2016-12-01

    We investigate the application of the dissipative particle dynamics method to the instability problem of a long liquid thread surrounded by another fluid. The dispersion curves obtained from simulations are compared with classic theoretical predictions. The results from standard dissipative particle dynamics (DPD) simulations at first have a tendency of gradually approaching to Tomotika's Stokes flow prediction when the Reynolds number is decreased. But they then abnormally deviate again when the viscosity is very large. The same phenomenon is also confirmed in droplet retraction simulations when also compared with theoretical Stokes flow results. On the other hand, when a hard-core DPD model is used, with the decrease of the Reynolds number the simulation results did finally approach Tomotika's predictions when Re≈0.1. A combined presentation of the hard-core DPD results and the standard DPD results, excluding the abnormal ones, demonstrates that they are approximately on a continuum when labeled with Reynolds number. These results suggest that the standard DPD method is a suitable method for investigation of the instability problem of immersed liquid thread in the inertioviscous regime (0.1DPD fluid, while the hard-core DPD is suitable to overcome this inferiority with standard DPD.

  7. Assessment of mesoscopic particle-based methods in microfluidic geometries

    NASA Astrophysics Data System (ADS)

    Zhao, Tongyang; Wang, Xiaogong; Jiang, Lei; Larson, Ronald G.

    2013-08-01

    We assess the accuracy and efficiency of two particle-based mesoscopic simulation methods, namely, Dissipative Particle Dynamics (DPD) and Stochastic Rotation Dynamics (SRD) for predicting a complex flow in a microfluidic geometry. Since both DPD and SRD use soft or weakly interacting particles to carry momentum, both methods contain unavoidable inertial effects and unphysically high fluid compressibility. To assess these effects, we compare the predictions of DPD and SRD for both an exact Stokes-flow solution and nearly exact solutions at finite Reynolds numbers from the finite element method for flow in a straight channel with periodic slip boundary conditions. This flow represents a periodic electro-osmotic flow, which is a complex flow with an analytical solution for zero Reynolds number. We find that SRD is roughly ten-fold faster than DPD in predicting the flow field, with better accuracy at low Reynolds numbers. However, SRD has more severe problems with compressibility effects than does DPD, which limits the Reynolds numbers attainable in SRD to around 25-50, while DPD can achieve Re higher than this before compressibility effects become too large. However, since the SRD method runs much faster than DPD does, we can afford to enlarge the number of grid cells in SRD to reduce the fluid compressibility at high Reynolds number. Our simulations provide a method to estimate the range of conditions for which SRD or DPD is preferable for mesoscopic simulations.

  8. Fokker-Planck-Boltzmann equation for dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Marsh, C. A.; Backx, G.; Ernst, M. H.

    1997-05-01

    The algorithm for Dissipative Particle Dynamics (DPD), as modified by Español and Warren, is used as a starting point for proving an H-theorem for the free energy and deriving hydrodynamic equations. Equilibrium and transport properties of the DPD fluid are explicitly calculated in terms of the system parameters for the continuous time version of the model.

  9. Evaluation of clinical value of single nucleotide polymorphisms of dihydropyrimidine dehydrogenase gene to predict 5-fluorouracil toxicity in 60 colorectal cancer patients in China.

    PubMed

    Zhang, Xin; Sun, Butong; Lu, Zhenxia

    2013-01-01

    Dihydropyrimidine dehydrogenase (DPD) activity could be affected by single nucleotide polymorphisms (SNPs), resulting in either no effect, partial or complete loss of DPD activity. To evaluate if SNPs of DPD can be used to predict 5-FU toxicity, we evaluated five SNPs of DPD (14G1A, G1156T, G2194A, T85C and T464A) by TaqMan real time PCR in 60 colorectal cancer patients. Clinical data demonstrated that there was higher correlation between DPD activity and toxic effects of 5-FU (p<0.05). Six patients were positive for G2194A detection, which were all heterozygous. Two patients had lower DPD activities (< 3) with higher toxic effects (≥ stage III) while one patient was also positive for T85C detection. Ten patients were positive for T85C detection. Two patients were homozygous with lower DPD activities and higher toxic effects. Two patients were positive for the T464A detection, which were heterozygous with lower DPD activity and higher toxic effects and also positive for T85C detection. These data clearly indicated that the T464A and homozygous of the T85C are stronger biomarkers to predict the 5-FU toxicity. Our study significantly indicated that the detection for G2194A, T85C and T464A could predict ~13% of 5-FU severe toxic side effects.

  10. [Tumoral dihydropyrimidine dehydrogenase expression and efficacy of 5-fluorouracil plus leucovorin plus UFT therapy in patients with colorectal cancer].

    PubMed

    Ishida, Hideyuki; Ohsawa, Tomonori; Nakada, Hiroshi; Yokoyama, Masaru; Inokuma, Shigehisa; Shirakawa, Kazuo; Yamada, Hirofumi; Hashimoto, Daijo

    2004-06-01

    The purpose of this study was to examine the relation between tumoral expression of dihydropyrimidine dehydrogenase (DPD), the rate limiting enzyme of the degradation pathway 5-fluorouracil (5-FU), and the efficacy of 5-FU based chemotherapy for colorectal cancer. Twenty-eight colorectal cancer patients who had underwent noncurative resection (n = 16) or had developed recurrence (n = 12) were enrolled. All patients were given 5-FU plus leucovorin intravenously and UFT (1 M Tegafur, 4 M Uracil) perorally. The expression levels of the DPD in the primary lesions were determined by the enzyme-linked immunosorbent assay. Group A (n = 10) consisted of one patient with complete response, 4 with partial response, and 5 with no change (time to disease progression (TTP) > = 90 days). Group B (n = 18) consisted of 14 patients with progressive disease and 4 with NC (time to progression, < 90 days). The tumoral DPD levels did not differ between the groups (p = 0.58). There were no effective cases (n = 6) whose tumoral DPD levels were equal to or more than 83.2 U/mg protein (high DPD expression). There were marked overlaps in the DPD levels between the two groups whose DPD levels were less than 83.0 U/mg protein (moderate or low expression). These results suggest that high expression of tumoral DPD would be predictive to failure of fluoropyrimidine-based treatment. However, it is unlikely to set the optimal cutoff value for predicting the efficacy of this type of chemotherapy.

  11. Modeling wrinkled-assisted assembly of ordered nanoparticles and nanorods on a wavy substrate

    NASA Astrophysics Data System (ADS)

    Luppi Sato, Camila; Yeh, Peter; Alexeev, Alexander; Mayer, Martin; Probst, Patrick; Fery, Andreas

    2015-11-01

    Wrinkle-assisted assembly is a technique that allows for fabrication of ordered structures of nanoparticles and nanorods on hydrophilic substrates. As an intermediate step in this process, nanoparticles are deposited within microscopically wrinkled surfaces, where they organize into patterned structures upon solvent evaporation. However, the dependence of the resulting pattern on nanoparticle concentration, particle size and shape, and substrate geometry is not well understood. We develop a model of the ordering process using dissipative particle dynamics (DPD) to predict the resulting nanostructures. We approximate the wavy sheet as a sinusoidal surface. One layer of DPD liquid containing nanoparticles fills the surface, while another layer of DPD fluid acts as the gaseous phase. We model the evaporative process by gradually replacing DPD liquid particles with DPD gaseous particles. The results of our work are useful in designing surface patterns that exhibit strong plasmonic coupling. Financial support from NSF CAREER Award DMR-1255288 is gratefully acknowledged.

  12. Impact of intratumoral expression levels of fluoropyrimidine-metabolizing enzymes on treatment outcomes of adjuvant S-1 therapy in gastric cancer.

    PubMed

    Kim, Ji-Yeon; Shin, Eun; Kim, Jin Won; Lee, Hye Seung; Lee, Dae-Won; Kim, Se-Hyun; Lee, Jeong-Ok; Kim, Yu Jung; Kim, Jee Hyun; Bang, Soo-Mee; Ahn, Sang-Hoon; Park, Do Joong; Lee, Jong Seok; Lee, Ju-Seog; Kim, Hyung-Ho; Lee, Keun-Wook

    2015-01-01

    We analyzed the expression levels of fluoropyrimidine-metabolizing enzymes (thymidylate synthase [TS], dihydropyrimidine dehydrogenase [DPD], thymidine phosphorylase [TP] and orotate phosphoribosyltransferase [OPRT]) to identify potential biomarkers related to treatment outcomes in gastric cancer (GC) patients receiving adjuvant S-1 chemotherapy. In this study, 184 patients who received curative gastrectomy (D2 lymph node dissection) and adjuvant S-1 were included. Immunohistochemistry and quantitative reverse transcription polymerase chain reaction were performed to measure the protein and mRNA levels of TS, DPD, TP, and OPRT in tumor tissue. In univariate analysis, low intratumoral DPD protein expression was related to poorer 5-year disease-free survival (DFS; 78% vs. 88%; P = 0.068). Low intratumoral DPD mRNA expression (1st [lowest] quartile) was also related to poorer DFS (69% vs. 90%; P < 0.001) compared to high intratumoral DPD expression (2nd to 4th quartiles). In multivariate analyses, low intratumoral DPD protein or mRNA expression was related to worse DFS (P < 0.05), irrespective of other clinical variables. TS, TP, and OPRT expression levels were not related to treatment outcomes. Severe non-hematologic toxicities (grade ≥ 3) had a trend towards more frequent development in patients with low intratumoral DPD mRNA expression (29% vs. 16%; P = 0.068). In conclusion, GC patients with high intratumoral DPD expression did not have inferior outcome following adjuvant S-1 therapy compared with those with low DPD expression. Instead, low intratumoral DPD expression was related to poor DFS.

  13. Utero-placental vascularisation in normal and preeclamptic and intra-uterine growth restriction pregnancies: third trimester quantification using 3D power Doppler with comparison to placental vascular morphology (EVUPA): a prospective controlled study

    PubMed Central

    Duan, Jie; Chabot-Lecoanet, Anne-Claire; Perdriolle-Galet, Estelle; Christov, Christophe; Hossu, Gabriela; Cherifi, Aboubaker; Morel, Olivier

    2016-01-01

    Introduction Preeclampsia (PE) and intra-uterine growth restriction (IUGR) are two major pregnancy complications related to chronic utero-placental hypoperfusion. Three-dimensional power Doppler (3DPD) angiography has been used for the evaluation of utero-placental vascularisation and three vascular indices have been calculated: the vascularisation index (VI), flow index (FI) and vascularisation-FI (VFI). However, several technical endpoints hinder the clinical use of 3DPD as physical characteristics and machine settings may affect 3DPD indices, and so its clinical significance is not yet clear. Objectives The primary objective is to better understand the clinical significance of 3DPD indices by evaluating the relationship between these indices and placental morphometry. Secondary objectives are (i) to determine the impact of machine settings and physical characteristics on 3DPD indices, and (ii) to evaluate physio-pathological placental vascularisation patterns. Methods and analysis This is a prospective controlled study. We expect to include 112 women: 84 with normal pregnancies and 28 with PE and/or IUGR (based on our former cohort study on 3DPD indices for PE and/or IUGR prediction (unpublished data)). Within 72 h before planned or semi-urgent caesarean section, utero-placental 3DPD images with five different machine settings will be acquired. Placentas will be collected and examined after surgery and stereological indices (volume density, surface density, length density) calculated. The 3DPD indices (VI, FI and VFI) of the placenta and adjacent myometrium will be calculated. Correlation between Doppler and morphological indices will be evaluated by Pearson or Spearman tests. Agreement between 3DPD indices and morphological indices will be assessed by Bland and Altman plots. The impact of Doppler settings and maternal characteristics on 3DPD indices will be evaluated with a multivariate linear regression model. Ethics The study and related consent forms have

  14. Diseno de una Actividad de Aprendizaje Basada en la Argumentacion Dialogica en un curso Virtual de Biotecnologia y su Incidencia en el Desarrollo de Competencias Cientificas

    NASA Astrophysics Data System (ADS)

    Ortiz Benavides, Fedra Lorena

    El proposito de la investigacion fue evaluar la efectividad de una actividad de aprendizaje basado en la argumentacion dialogica en linea y su incidencia en el desarrollo de competencias cientificas. Se fundamenta en la teoria del aprendizaje socio cultural de Vigotsky (1984), los principios del diseno instruccional de la cognicion situada por Hung y Der-Thang (2001) y como estrategia se aplico la argumentacion dialogica utilizando el Modelo Argumentativo de Toulmin MAT (1984). El diseno experimental comparo dos grupos de estudiantes A y B en el curso virtual de Biotecnologia. El grupo A (experimental) desarrollo la discusion a partir de la estrategia disenada para este estudio y el grupo B (control) realizo la discusion desde las actividades tradicionales. El desarrollo de la competencia argumentativa se valoro con el instrumento de evaluacion para argumentacion dialogica en linea propuesta por Clark y Sampson (2008). La evaluacion de las competencias cientificas se realizo a partir de una postprueba. Los datos fueron analizados con pruebas estadisticas no parametricas. Los resultados de la investigacion, indicaron diferencias significativas en el nivel de la competencia argumental en el grupo experimental en comparacion al grupo control. Igualmente se demostro que existe una relacion positiva entre el nivel de desarrollo de la competencia argumentativa y el nivel de desarrollo de las competencias cientificas.

  15. [Education for patients with fibromyalgia. A systematic review of randomised clinical trials].

    PubMed

    Elizagaray-Garcia, Ignacio; Muriente-Gonzalez, Jorge; Gil-Martinez, Alfonso

    2016-01-16

    Objetivo. Analizar la efectividad de la educacion al paciente con fibromialgia sobre el dolor, calidad de vida y funcionalidad. Sujetos y metodos. La busqueda de articulos se realizo utilizando bases de datos electronicas. Los criterios de inclusion fueron: estudios clinicos aleatorizados y controlados (ECA), realizados en pacientes con fibromialgia, donde la intervencion terapeutica se basara en la educacion al paciente, y publicados en ingles y castellano. Dos revisores independientes analizaron la calidad metodologica utilizando la escala PEDro. Resultados. Se seleccionaron cinco ECA, de los cuales cuatro presentaron una calidad metodologica buena. En tres de los estudios, la educacion al paciente, en combinacion con otra intervencion basada en ejercicio terapeutico, mejoro los resultados en las variables que evaluaron el dolor y la calidad de vida en comparacion con las mismas intervenciones realizadas por separado. Ademas, un ECA de buena calidad metodologica mostro que la educacion al paciente activo vias neurales inhibitorias descendentes del dolor. El analisis cualitativo muestra evidencia fuerte-moderada acerca de que la educacion al paciente, en combinacion con otras intervenciones de ejercicio terapeutico, ofrece resultados positivos en las variables de dolor, calidad de vida y funcionalidad. Conclusiones. La educacion al paciente por si sola no ha mostrado ser efectiva sobre el dolor, la calidad de vida ni la funcionalidad en pacientes con fibromialgia. Existe evidencia fuerte de la efectividad de la combinacion de educacion al paciente con ejercicio y estrategias activas de afrontamiento sobre el dolor, la calidad de vida y la funcionalidad a corto, medio y largo plazo en pacientes con fibromialgia.

  16. Role of p21 as a determinant of 1,6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl] diamantane response in human HCT-116 colon carcinoma cells.

    PubMed

    Wang, Jane-Jen; Hung, Hui-Fang; Huang, Min-Li; Lee, Hui-Ju; Chern, Yaw-Terng; Chang, Yuh-Fang; Chi, Chin-Wen; Hsu, Yi-Chiung

    2012-02-01

    1,6-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane (DPD) induces growth inhibition in human cancer cells. In our previous study, we discovered that DPD irreversibly inhibits the growth of Colo 205 colon cancer cells at the G0/G1 phase and induces cell differentiation. However, the detailed mechanism is still unknown. In this study, we examined the functional importance of p21 and p53 in DPD-induced anticancer effects. We used three isogenic cell lines, HCT-116, HCT-116 p53-/- and HCT-116 p21-/-, to evaluate the roles of p21 and p53 in the in vitro anticancer effects of DPD. The in vivo anti-proliferative effect of DPD was demonstrated by HCT-116 and HCT-116 p21-/- xenograft models. DPD significantly inhibited the growth as well as increased the number of HCT-116 cells in the G0/G1 phase, but not in HCT-116 p53-/- and HCT-116 p21-/- cells examined by flow cytometry. Additionally, western blot analysis showed that DPD treatment induced p21, but not p53 protein expression in HCT-116 cells. The p21-associated cell cycle regulated proteins, such as cyclin D, CDK4 and pRb were decreased after DPD treatment in HCT-116 cells. The DPD-increased G0/G1 phase and induced cell cycle regulated protein expression were not observed in HCT-116 p21-/- and HCT-116 p53-/- cells. DPD decreased cell migration in HCT-116 and HCT-116 p53-/- but not in HCT-116 p21-/- cells. p21 was required for the DPD-induced in vitro anti-colon cancer effect. The in vivo study also showed that DPD significantly inhibited tumor growth through p21 signaling. Our results clearly demonstrate that DPD-induced in vitro and in vivo anticancer effects through the activation of p21 in HCT-116 cells.

  17. Detección automática de NEOs en imágenes CCD utilizando la transformada de Hough

    NASA Astrophysics Data System (ADS)

    Ruétalo, M.; Tancredi, G.

    El interés y la dedicación por los objetos que se acercan a la órbita de la Tierra (NEOs) ha aumentado considerablemente en los últimos años, tanto que se han iniciado varias campañas de búsqueda sistemática para aumentar la población identificada de éstos. El uso de placas fotográficas e identificación visual está siendo sustituído, progresivamente, por el uso de cámaras CCD y paquetes de detección automática de los objetos en las imágenes digitales. Una parte muy importante para la implementación exitosa de un programa automatizado de detección de este tipo es el desarrollo de algoritmos capaces de identificar objetos de baja relación señal-ruido y con requerimientos computacionales no elevados. En el presente trabajo proponemos la utilización de la transformada de Hough (utilizada en algunas áreas de visión artificial) para detectar automáticamente trazas, aproximadamente rectilíneas y de baja relación señal-ruido, en imágenes CCD. Desarrollamos una primera implementación de un algoritmo basado en ésta y lo probamos con una serie de imágenes reales conteniendo trazas con picos de señales de entre ~1 σ y ~3 σ por encima del nivel del ruido de fondo. El algoritmo detecta, sin inconvenientes, la mayoría de los casos y en tiempos razonablemente adecuados.

  18. Striking Discrepancy of Anomalous Body Experiences with Normal Interoceptive Accuracy in Depersonalization-Derealization Disorder

    PubMed Central

    Michal, Matthias; Reuchlein, Bettina; Adler, Julia; Reiner, Iris; Beutel, Manfred E.; Vögele, Claus; Schächinger, Hartmut; Schulz, André

    2014-01-01

    Background Disembodiment is a core feature of depersonalization disorder (DPD). Given the narratives of DPD patients about their disembodiment and emotional numbing and neurobiological findings of an inhibition of insular activity, DPD may be considered as a mental disorder with specific impairments of interoceptive awareness and body perception. Methods We investigated cardioceptive accuracy (CA) of DPD patients (n = 24) as compared to healthy controls (n = 26) with two different heartbeat detection tasks (“Schandry heartbeat counting task” and “Whitehead heartbeat discrimination task”). Self-rated clearness of body perception was measured by questionnaire. Results Contrary to our hypothesis, DPD patients performed similarly to healthy controls on the two different heartbeat detection tasks, and they had equal scores regarding their self-rated clearness of body perception. There was no correlation of the severity of “anomalous body experiences” and depersonalization with measures of interoceptive accuracy. Only among healthy controls CA in the Schandry task was positively correlated with self-rated clearness of body perception. Depersonalization was unrelated to severity of depression or anxiety, while depression and anxiety were highly correlated. Anxiety and depression did not modify the associations of depersonalization with interoceptive accuracy. Conclusions Our main findings highlight a striking discrepancy of normal interoception with overwhelming experiences of disembodiment in DPD. This may reflect difficulties of DPD patients to integrate their visceral and bodily perceptions into a sense of their selves. This problem may be considered an important target for psychotherapeutic treatment approaches. PMID:24587061

  19. A liver stress-endocrine nexus promotes metabolic integrity during dietary protein dilution

    PubMed Central

    Maida, Adriano; Zota, Annika; Sjøberg, Kim A.; Sijmonsma, Tjeerd P.; Pfenninger, Anja; Christensen, Marie M.; Gantert, Thomas; Fuhrmeister, Jessica; Rothermel, Ulrike; Schmoll, Dieter; Heikenwälder, Mathias; Iovanna, Juan L.; Stemmer, Kerstin; Herzig, Stephan; Rose, Adam J.

    2016-01-01

    Dietary protein intake is linked to an increased incidence of type 2 diabetes (T2D). Although dietary protein dilution (DPD) can slow the progression of some aging-related disorders, whether this strategy affects the development and risk for obesity-associated metabolic disease such as T2D is unclear. Here, we determined that DPD in mice and humans increases serum markers of metabolic health. In lean mice, DPD promoted metabolic inefficiency by increasing carbohydrate and fat oxidation. In nutritional and polygenic murine models of obesity, DPD prevented and curtailed the development of impaired glucose homeostasis independently of obesity and food intake. DPD-mediated metabolic inefficiency and improvement of glucose homeostasis were independent of uncoupling protein 1 (UCP1), but required expression of liver-derived fibroblast growth factor 21 (FGF21) in both lean and obese mice. FGF21 expression and secretion as well as the associated metabolic remodeling induced by DPD also required induction of liver-integrated stress response–driven nuclear protein 1 (NUPR1). Insufficiency of select nonessential amino acids (NEAAs) was necessary and adequate for NUPR1 and subsequent FGF21 induction and secretion in hepatocytes in vitro and in vivo. Taken together, these data indicate that DPD promotes improved glucose homeostasis through an NEAA insufficiency–induced liver NUPR1/FGF21 axis. PMID:27548521

  20. The Impact of the Expression Level of Intratumoral Dihydropyrimidine Dehydrogenase on Chemotherapy Sensitivity and Survival of Patients in Gastric Cancer: A Meta-Analysis

    PubMed Central

    Zhang, Cong; Liu, Hongpeng; Ma, Bin; Song, Yongxi; Gao, Peng; Xu, Yingying; Yu, Dehao

    2017-01-01

    The potential impact that the intratumoral expression level of dihydropyrimidine dehydrogenase (DPD) has on chemotherapy sensitivity and long-term survival for gastric cancer (GC) patients remains controversial; therefore, this study seeks to clarify this issue. Our meta-analysis was performed using Review Manager (RevMan) 5.3 software. In vitro drug sensitivity tests, correlation coefficients between sensitivity to 5-fluorouracil (5-FU), and expression levels of intratumoral DPD were used as effective indexes to analyse. Overall survival (OS) and progression-free survival (PFS) were used as endpoints for patient outcome, and hazard ratios (HRs) and 95% confidence intervals (CIs) were noted as measures of effect. There were 15 eligible studies including 1805 patients for the final analysis. The analysis revealed a statistically significant difference between the expression level of intratumoral DPD activity, DPD mRNA levels, and sensitivity to 5-FU in GC patients, with high expression levels of intratumoral DPD resulting in low sensitivity to 5-FU. However, no matter what therapeutic regimens were used, there was no significant difference for patient outcomes between high and low DPD expression groups, either in OS or in PFS. In conclusion, high levels of intratumoral DPD expression have a negative impact on sensitivity to 5-FU in GC patients, but no prognostic value for long-term survival was uncovered. PMID:28255193

  1. Shock Simulations of Single-Site Coarse-Grain RDX using the Dissipative Particle Dynamics Method with Reactivity

    NASA Astrophysics Data System (ADS)

    Sellers, Michael; Lisal, Martin; Schweigert, Igor; Larentzos, James; Brennan, John

    2015-06-01

    In discrete particle simulations, when an atomistic model is coarse-grained, a trade-off is made: a boost in computational speed for a reduction in accuracy. Dissipative Particle Dynamics (DPD) methods help to recover accuracy in viscous and thermal properties, while giving back a small amount of computational speed. One of the most notable extensions of DPD has been the introduction of chemical reactivity, called DPD-RX. Today, pairing the current evolution of DPD-RX with a coarse-grained potential and its chemical decomposition reactions allows for the simulation of the shock behavior of energetic materials at a timescale faster than an atomistic counterpart. In 2007, Maillet et al. introduced implicit chemical reactivity in DPD through the concept of particle reactors and simulated the decomposition of liquid nitromethane. We have recently extended the DPD-RX method and have applied it to solid hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) under shock conditions using a recently developed single-site coarse-grain model and a reduced RDX decomposition mechanism. A description of the methods used to simulate RDX and its tranition to hot product gases within DPD-RX will be presented. Additionally, examples of the effect of microstructure on shock behavior will be shown. Approved for public release. Distribution is unlimited.

  2. A liver stress-endocrine nexus promotes metabolic integrity during dietary protein dilution.

    PubMed

    Maida, Adriano; Zota, Annika; Sjøberg, Kim A; Schumacher, Jonas; Sijmonsma, Tjeerd P; Pfenninger, Anja; Christensen, Marie M; Gantert, Thomas; Fuhrmeister, Jessica; Rothermel, Ulrike; Schmoll, Dieter; Heikenwälder, Mathias; Iovanna, Juan L; Stemmer, Kerstin; Kiens, Bente; Herzig, Stephan; Rose, Adam J

    2016-09-01

    Dietary protein intake is linked to an increased incidence of type 2 diabetes (T2D). Although dietary protein dilution (DPD) can slow the progression of some aging-related disorders, whether this strategy affects the development and risk for obesity-associated metabolic disease such as T2D is unclear. Here, we determined that DPD in mice and humans increases serum markers of metabolic health. In lean mice, DPD promoted metabolic inefficiency by increasing carbohydrate and fat oxidation. In nutritional and polygenic murine models of obesity, DPD prevented and curtailed the development of impaired glucose homeostasis independently of obesity and food intake. DPD-mediated metabolic inefficiency and improvement of glucose homeostasis were independent of uncoupling protein 1 (UCP1), but required expression of liver-derived fibroblast growth factor 21 (FGF21) in both lean and obese mice. FGF21 expression and secretion as well as the associated metabolic remodeling induced by DPD also required induction of liver-integrated stress response-driven nuclear protein 1 (NUPR1). Insufficiency of select nonessential amino acids (NEAAs) was necessary and adequate for NUPR1 and subsequent FGF21 induction and secretion in hepatocytes in vitro and in vivo. Taken together, these data indicate that DPD promotes improved glucose homeostasis through an NEAA insufficiency-induced liver NUPR1/FGF21 axis.

  3. Dihydropyrimidine Dehydrogenase Is a Prognostic Marker for Mesenchymal Stem Cell-Mediated Cytosine Deaminase Gene and 5-Fluorocytosine Prodrug Therapy for the Treatment of Recurrent Gliomas

    PubMed Central

    Chung, Taemoon; Na, Juri; Kim, Young-il; Chang, Da-Young; Kim, Young Il; Kim, Hyeonjin; Moon, Ho Eun; Kang, Keon Wook; Lee, Dong Soo; Chung, June-Key; Kim, Sung-Soo; Suh-Kim, Haeyoung; Paek, Sun Ha; Youn, Hyewon

    2016-01-01

    We investigated a therapeutic strategy for recurrent malignant gliomas using mesenchymal stem cells (MSC), expressing cytosine deaminase (CD), and prodrug 5-Fluorocytosine (5-FC) as a more specific and less toxic option. MSCs are emerging as a novel cell therapeutic agent with a cancer-targeting property, and CD is considered a promising enzyme in cancer gene therapy which can convert non-toxic 5-FC to toxic 5-Fluorouracil (5-FU). Therefore, use of prodrug 5-FC can minimize normal cell toxicity. Analyses of microarrays revealed that targeting DNA damage and its repair is a selectable option for gliomas after the standard chemo/radio-therapy. 5-FU is the most frequently used anti-cancer drug, which induces DNA breaks. Because dihydropyrimidine dehydrogenase (DPD) was reported to be involved in 5-FU metabolism to block DNA damage, we compared the survival rate with 5-FU treatment and the level of DPD expression in 15 different glioma cell lines. DPD-deficient cells showed higher sensitivity to 5-FU, and the regulation of DPD level by either siRNA or overexpression was directly related to the 5-FU sensitivity. For MSC/CD with 5-FC therapy, DPD-deficient cells such as U87MG, GBM28, and GBM37 showed higher sensitivity compared to DPD-high U373 cells. Effective inhibition of tumor growth was also observed in an orthotopic mouse model using DPD- deficient U87MG, indicating that DPD gene expression is indeed closely related to the efficacy of MSC/CD-mediated 5-FC therapy. Our results suggested that DPD can be used as a biomarker for selecting glioma patients who may possibly benefit from this therapy. PMID:27446484

  4. Dihydropyrimidine Dehydrogenase Is a Prognostic Marker for Mesenchymal Stem Cell-Mediated Cytosine Deaminase Gene and 5-Fluorocytosine Prodrug Therapy for the Treatment of Recurrent Gliomas.

    PubMed

    Chung, Taemoon; Na, Juri; Kim, Young-Il; Chang, Da-Young; Kim, Young Il; Kim, Hyeonjin; Moon, Ho Eun; Kang, Keon Wook; Lee, Dong Soo; Chung, June-Key; Kim, Sung-Soo; Suh-Kim, Haeyoung; Paek, Sun Ha; Youn, Hyewon

    2016-01-01

    We investigated a therapeutic strategy for recurrent malignant gliomas using mesenchymal stem cells (MSC), expressing cytosine deaminase (CD), and prodrug 5-Fluorocytosine (5-FC) as a more specific and less toxic option. MSCs are emerging as a novel cell therapeutic agent with a cancer-targeting property, and CD is considered a promising enzyme in cancer gene therapy which can convert non-toxic 5-FC to toxic 5-Fluorouracil (5-FU). Therefore, use of prodrug 5-FC can minimize normal cell toxicity. Analyses of microarrays revealed that targeting DNA damage and its repair is a selectable option for gliomas after the standard chemo/radio-therapy. 5-FU is the most frequently used anti-cancer drug, which induces DNA breaks. Because dihydropyrimidine dehydrogenase (DPD) was reported to be involved in 5-FU metabolism to block DNA damage, we compared the survival rate with 5-FU treatment and the level of DPD expression in 15 different glioma cell lines. DPD-deficient cells showed higher sensitivity to 5-FU, and the regulation of DPD level by either siRNA or overexpression was directly related to the 5-FU sensitivity. For MSC/CD with 5-FC therapy, DPD-deficient cells such as U87MG, GBM28, and GBM37 showed higher sensitivity compared to DPD-high U373 cells. Effective inhibition of tumor growth was also observed in an orthotopic mouse model using DPD- deficient U87MG, indicating that DPD gene expression is indeed closely related to the efficacy of MSC/CD-mediated 5-FC therapy. Our results suggested that DPD can be used as a biomarker for selecting glioma patients who may possibly benefit from this therapy.

  5. A stochastic boundary forcing for dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Altenhoff, Adrian M.; Walther, Jens H.; Koumoutsakos, Petros

    2007-07-01

    The method of dissipative particle dynamics (DPD) is an effective, coarse grained model of the hydrodynamics of complex fluids. DPD simulations of wall-bounded flows are however often associated with spurious fluctuations of the fluid properties near the wall. We present a novel stochastic boundary forcing for DPD simulations of wall-bounded flows, based on the identification of fluctuations in simulations of the corresponding homogeneous system at equilibrium. The present method is shown to enforce accurately the no-slip boundary condition, while minimizing spurious fluctuations of material properties, in a number of benchmark problems.

  6. Dissipative Particle Dynamics interaction parameters from ab initio calculations

    NASA Astrophysics Data System (ADS)

    Sepehr, Fatemeh; Paddison, Stephen J.

    2016-02-01

    Dissipative Particle Dynamics (DPD) is a commonly employed coarse-grained method to model complex systems. Presented here is a pragmatic approach to connect atomic-scale information to the meso-scale interactions defined between the DPD particles or beads. Specifically, electronic structure calculations were utilized for the calculation of the DPD pair-wise interaction parameters. An implicit treatment of the electrostatic interactions for charged beads is introduced. The method is successfully applied to derive the parameters for a hydrated perfluorosulfonic acid ionomer with absorbed vanadium cations.

  7. Dysgenetic polycystic disease of the parotid gland: Report of a case and review of the literature

    PubMed Central

    Kumar, KR Ashok; Mahadesh, Jyothi; Setty, Suhas

    2013-01-01

    Dysgenetic polycystic disease (DPD) is a rare cystic lesion affecting mainly the parotid salivary glands with only 14 reported cases in English literature. DPD of parotids is more common in females, common in younger age group, mostly bilateral in occurrence and commonly affects the superficial lobe. Surgery is performed for symptomatic relief and cosmosis. We report a case of a unilateral DPD of the parotid gland with distinctive histopathology. Patient was treated by performing total parotidectomy with preservation of the facial nerve. PMID:24250087

  8. Defensin of the zebra mussel (Dreissena polymorpha): molecular structure, in vitro expression, antimicrobial activity, and potential functions.

    PubMed

    Xu, Wei; Faisal, Mohamed

    2010-07-01

    A 409 bp full length defensin gene was cloned and sequenced based on an expressed sequence tag (EST) obtained from a normalized zebra mussel (Dreissena polymorpha) foot cDNA library developed in our laboratory. The D. polymorpha defensin (Dpd) gene encoded a peptide with 76 amino acid residues. The mature Dpd contains 54 amino acids with a fully functional insect defensin A domain. Homologue searching against GenBank database suggested that this Dpd was phylogenetically close to defensins from a group of insects with six conserved cysteine residues. Predicted with homology-modeling method, the three-dimensional structure of Dpd also demonstrated a significant similarity with insect defensin A. The recombinant Dpd was in vitro expressed through an Escherichia coli expression system. The antimicrobial activities of the refolded recombinant Dpd were found against the growth of Morganella sp., Plesiomonas shigelloides, Edwardsiella tarda, E. coli and Staphylococcus aureus aureus (ATCC12598) with the minimal inhibition concentration (MIC) 0.35, 0.43, 1.16, 6.46, and 30.39 microM, respectively. However, with less than 50 microM no detectable inhibition activities were observed against the other four Gram-negative bacteria (Aeromonas salmonicida salmonicida, Motile Aeromonas, Flavobacterium sp., Pseudomonas fluorescens, Shewanella putrifaciens), as well as the other Gram-positive bacteria (Bacillus megaterium ATCC14581, Carnobacterium maltaromaticum ATCC27865, Enterococcus faecalis ATCC19433, and Micrococcus leteus ATCC4698), and the yeast Saccharomyces cerevisiae. The RNA fluorescent in situ hybridization (FISH) of Dpd in the zebra mussel suggested that the Dpd was expressed in a variety of tissues, such as foot, retractor muscle, ctenidium, mantle, hemocytes, gonad, digestive gland, and intestine. By using the quantitative PCR, the expression level of Dpd in the zebra mussel foot was the highest, followed by the muscle. By comparing the amount of Dpd transcripts in the

  9. Determination of macroscopic transport coefficients of a dissipative particle dynamics solvent

    NASA Astrophysics Data System (ADS)

    Azarnykh, Dmitrii; Litvinov, Sergey; Bian, Xin; Adams, Nikolaus A.

    2016-01-01

    We present an approach to determine macroscopic transport coefficients of a dissipative particle dynamics (DPD) solvent. Shear viscosity, isothermal speed of sound, and bulk viscosity result from DPD-model input parameters and can be determined only a posteriori. For this reason approximate predictions of these quantities are desirable in order to set appropriate DPD input parameters. For the purpose of deriving an improved approximate prediction we analyze the autocorrelation of shear and longitudinal modes in Fourier space of a DPD solvent for Kolmogorov flow. We propose a fitting function with nonexponential properties which gives a good approximation to these autocorrelation functions. Given this fitting function we improve significantly the capability of a priori determination of macroscopic solvent transport coefficients in comparison to previously used exponential fitting functions.

  10. Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Leimkuhler, Benedict; Shang, Xiaocheng

    2016-11-01

    We examine the formulation and numerical treatment of dissipative particle dynamics (DPD) and momentum-conserving molecular dynamics. We show that it is possible to improve both the accuracy and the stability of DPD by employing a pairwise adaptive Langevin thermostat that precisely matches the dynamical characteristics of DPD simulations (e.g., autocorrelation functions) while automatically correcting thermodynamic averages using a negative feedback loop. In the low friction regime, it is possible to replace DPD by a simpler momentum-conserving variant of the Nosé-Hoover-Langevin method based on thermostatting only pairwise interactions; we show that this method has an extra order of accuracy for an important class of observables (a superconvergence result), while also allowing larger timesteps than alternatives. All the methods mentioned in the article are easily implemented. Numerical experiments are performed in both equilibrium and nonequilibrium settings; using Lees-Edwards boundary conditions to induce shear flow.

  11. Implicit and self-attributed dependency needs in dependent and histrionic personality disorders.

    PubMed

    Bornstein, R F

    1998-08-01

    Theorists speculate that dependent personality disorder (DPD) and histrionic personality disorder (HPD) are both associated with high levels of implicit (i.e., unconscious) dependency needs but speculate that only DPD is associated with high levels of self-attributed (i.e., conscious) dependency needs. To test this hypothesis, 444 undergraduates (236 women and 208 men) completed the Personality Diagnostic Questionnaire-Revised (PDQ-R), along with widely used measures of implicit dependency needs (the Rorschach Oral Dependency Scale; ROD), and self-attributed dependency needs (the Interpersonal Dependency Inventory; IDI). Correlational analyses and comparisons of IDI and ROD scores in participants scoring above and below the PDQ-R DPD and HPD thresholds supported theorists' speculations regarding implicit and self-attributed dependency needs in DPD and HPD. Implications of these results are discussed, and suggestions for future studies are offered.

  12. The Role of Cognitive-Behavioural Therapy for Patients with Depression in Parkinson's Disease

    PubMed Central

    Charidimou, Andreas; Seamons, John; Selai, Caroline; Schrag, Anette

    2011-01-01

    Depression is a common complication of Parkinson's disease (PD) with considerable impact on patients' quality of life. However, at present the most appropriate treatment approach is unclear. There are limited data on antidepressant medications in PD-associated depression (dPD) and those available suggest limited efficacy and tolerability of these drugs. Cognitive behavioural therapy (CBT) has been shown to be an effective treatment of depressive disorders. Treatment of dPD with CBT may pose particular challenges, including possible different pathophysiology, physical and mental comorbidities, and barriers to treatment through disability, which do not allow simple transfer of these results to patients with dPD. However, a number of case reports, case series, and small pilot studies suggest that this is a promising treatment for patients with PD. We here summarise the published evidence on this treatment in dPD. PMID:21766001

  13. Dependent personality disorder: a critical review.

    PubMed

    Disney, Krystle L

    2013-12-01

    Dependent personality disorder (DPD) has evolved from an abstract idea rooted in a historic and psychoanalytic context to a codified diagnosis in the DSM-IV-TR. This comprehensive review paper chronicles the evolution of DPD through each version of the DSM. Major topics relevant to the disorder are also investigated, including gender and cultural considerations, stability and manifestations of DPD across different developmental stages, comorbidity issues, and others. The purpose of this review is to provide a broad yet comprehensive examination of the complex angles of maladaptive dependency and to identify essential next steps in furthering our knowledge of this disorder. The paper concludes with a discussion of shortcomings in the body of research relevant to DPD, along with specific suggestions for improvement in this field of study.

  14. A pivotal role for beta-aminoisobutyric acid and oxidative stress in dihydropyrimidine dehydrogenase deficiency?

    PubMed

    van Kuilenburg, A B P; Stroomer, A E M; Abeling, N G G M; van Gennip, A H

    2006-01-01

    Dihydropyrimidine dehydrogenase (DPD) constitutes the first step of the pyrimidine degradation pathway in which the pyrimidine bases uracil and thymine are catabolised to beta-alanine and beta-aminoisobutyric acid (beta-AIB), respectively. The mean concentration of beta-AIB was approximately 5- to 8-fold lower in urine of patients with a DPD deficiency, when compared to age-matched controls. Comparable levels of 8-hydroxydeoxyguanosine (8-OHdG) were present in urine from controls and DPD patients at the age <2 year. In contrast, slightly elevated levels of 8-OHdG were detected in urine from DPD patients with an age >2 year, suggesting the presence of increased oxidative stress.

  15. Dihydropyrimidine dehydrogenase mutation in neoadjuvant chemotherapy in head and neck cancers: Myth or reality?

    PubMed Central

    Patil, Vijay M.; Noronha, Vanita; Joshi, Amit; Zanwar, Saurabh; Ramaswamy, Anant; Arya, Supreeta; Mahajan, Abhishek; Bhattacharjee, Atanu; Prabhash, Kumar

    2016-01-01

    Purpose: The docetaxel, 5-fluorouracil (5-FU), and cisplatin (TPF) regimen in India is associated with high percentages of Grade 3–4 toxicity. This analysis was planned to evaluate the incidence of dihydropyrimidine dehydrogenase (DPD) mutation in patients with severe gastrointestinal toxicity, to assess whether the mutation could be predicted by a set of clinical criteria and whether it has any impact on postneoadjuvant chemotherapy response. Methods: All consecutive patients who received TPF regimen in head and neck cancers between January 2015 and April 2015 were selected. Patients who had predefined set of toxicities in Cycle 1 were selected for DPD mutation testing. Depending on the results, C2 doses were modified. Postcompletion of two cycles, patients underwent radiological response assessment. Descriptive statistics has been performed. The normally distributed continuous variables were compared by unpaired Student's t-test, whereas variables which were not normally distributed by Wilcoxon sum rank test. For noncontinuous variables, comparison was performed by Fisher's exact test. Results: Out of 34 patients, who received TPF, 12 were selected for DPD testing, and 11 (32.4%, 95% confidence interval [95% CI]: 19.1–49.3%) had DPD mutation. The predictive accuracy of the criteria for the tested DPD mutations was 81.3% (95% CI: 62.1–100%). Of the 11 DPD mutation positive patients, except for one patient, all others received the second cycle of TPF. The dose adjustments done in 5-FU were 50% dose reduction in 9 patients and no dose reduction in one patient. The response rate in DPD mutated patients was 27.3% (3/11) and that in DPD nonmutated/nontested was 39.1% (9/23) (P = 0.70). Conclusion: In this small study, it seems that the incidence of DPD mutation is more common in Indian then it's in the Caucasian population. Clinical toxicity criteria can accurately predict for DPD mutation. Postdose adjustments of 5-FU from C2 onward, TPF can safely be delivered

  16. Dissipative particle dynamics simulations in the grand canonical ensemble: applications to polymer brushes.

    PubMed

    Goujon, Florent; Malfreyt, Patrice; Tildesley, Dominic J

    2004-04-19

    We have used the dissipative particle dynamics (DPD) method in the grand canonical ensemble to study the compression of grafted polymer brushes in good solvent conditions. The force-distance profiles calculated from DPD simulations in the grand canonical ensemble are in very good agreement with the self-consistent field (SCF) theoretical models and with experimental results for two polystyrene brush layers grafted onto mica surfaces in toluene.

  17. Impact of 5-fluorouracil metabolizing enzymes on chemotherapy in patients with resectable colorectal cancer.

    PubMed

    Ochiai, Takumi; Umeki, Masahiko; Miyake, Hiroshi; Iida, Tatsumi; Okumura, Minoru; Ohno, Kazuhide; Sakamoto, Masashi; Miyoshi, Nobukazu; Takahashi, Masahiko; Tsumura, Hidenori; Tokunaga, Yukihiko; Naitou, Haruhiko; Fukui, Takuji

    2014-09-01

    Although 5-fluorouracil (5-FU) is an important drug for colorectal cancer (CRC) treatment, no useful biomarker is currently available to predict treatment response. Since 5-FU is converted into active or inactive forms by orotate phosphoribosyltransferase (OPRT) or dihydropyrimidine dehydrogenase (DPD), a correlation between these enzymes and response to 5-FU has been suggested. However, such a correlation has not been investigated prospectively. Therefore, in the present study, we aimed to prospectively evaluate whether OPRT and DPD were predictive factors of the response to 5-FU treatment in patients with resectable CRC. The present investigation was designed as a multicenter prospective cohort study. OPRT and DPD activities were assessed in biopsy samples, obtained surgically from patients with resectable CRC. The OPRT/DPD ratio was calculated and the cut-off values for this ratio were determined for 5-year disease-free survival (DFS) and overall survival (OS). Patients were treated with 5-FU/leucovorin (LV) regimens and oral 5-FU. The endpoint of this study was the correlation between the OPRT/DPD ratio and 5-year DFS and OS. The cut-off value for the OPRT/DPD ratio was determined by using the maximum χ2 statistic method against 5-year DFS and OS. Sixty-eight patients were enrolled from July 2003 to May 2005. The median follow-up period was 1925 days. The OPRT/DPD ratio cut-off values for 5-year DFS and OS were 0.015 and 0.013, respectively. During the 5-year DFS and OS periods, patients with higher cut-off values had a better prognosis than those with lower ratios (P=0.03 and 0.02, respectively). In conclusion, our results suggest that the OPRT/DPD ratio could be a predictive factor for response to 5-FU/LV adjuvant chemotherapy.

  18. Altered directional connectivity between emotion network and motor network in Parkinson's disease with depression.

    PubMed

    Liang, Peipeng; Deshpande, Gopikrishna; Zhao, Sinan; Liu, Jiangtao; Hu, Xiaoping; Li, Kuncheng

    2016-07-01

    Depression is common in patients with Parkinson's disease (PD), which can make all the other symptoms of PD much worse. It is thus urgent to differentiate depressed PD (DPD) patients from non-depressed PD (NDPD).The purpose of the present study was to characterize alterations in directional brain connectivity unique to Parkinson's disease with depression, using resting state functional magnetic resonance imaging (rs-fMRI).Sixteen DPD patients, 20 NDPD patients, 17 patients with major depressive disorder (MDD) and 21 healthy control subjects (normal controls [NC]) underwent structural MRI and rs-fMRI scanning. Voxel-based morphometry and directional brain connectivity during resting-state were analyzed. Analysis of variance (ANOVA) and 2-sample t tests were used to compare each pair of groups, using sex, age, education level, structural atrophy, and/or HAMD, unified PD rating scale (UPDRS) as covariates.In contrast to NC, DPD showed significant gray matter (GM) volume abnormalities in some mid-line limbic regions including dorsomedial prefrontal cortex and precuneus, and sub-cortical regions including caudate and cerebellum. Relative to NC and MDD, both DPD and NDPD showed significantly increased directional connectivity from bilateral anterior insula and posterior orbitofrontal cortices to left inferior temporal cortex. As compared with NC, MDD and NDPD, alterations of directional connectivity in DPD were specifically observed in the pathway from bilateral anterior insula and posterior orbitofrontal cortices to right basal ganglia.Resting state directional connectivity alterations were observed between emotion network and motor network in DPD patients after controlling for age, sex, structural atrophy. Given that these alterations are unique to DPD, it may provide a potential differential biomarker for distinguishing DPD from NC, NDPD, and MDD.

  19. Hidden Sylvatic Foci of the Main Vector of Chagas Disease Triatoma infestans: Threats to the Vector Elimination Campaign?

    PubMed Central

    Schachter-Broide, Judith; Dujardin, Jean-Pierre; Dotson, Ellen M.; Kitron, Uriel; Gürtler, Ricardo E.

    2011-01-01

    Background Establishing the sources of reinfestation after residual insecticide spraying is crucial for vector elimination programs. Triatoma infestans, traditionally considered to be limited to domestic or peridomestic (abbreviated as D/PD) habitats throughout most of its range, is the target of an elimination program that has achieved limited success in the Gran Chaco region in South America. Methodology/Principal Findings During a two-year period we conducted semi-annual searches for triatomine bugs in every D/PD site and surrounding sylvatic habitats after full-coverage spraying of pyrethroid insecticides of all houses in a well-defined rural area in northwestern Argentina. We found six low-density sylvatic foci with 24 T. infestans in fallen or standing trees located 110–2,300 m from the nearest house or infested D/PD site detected after insecticide spraying, when house infestations were rare. Analysis of two mitochondrial gene fragments of 20 sylvatic specimens confirmed their species identity as T. infestans and showed that their composite haplotypes were the same as or closely related to D/PD haplotypes. Population studies with 10 polymorphic microsatellite loci and wing geometric morphometry consistently indicated the occurrence of unrestricted gene flow between local D/PD and sylvatic populations. Mitochondrial DNA and microsatellite sibship analyses in the most abundant sylvatic colony revealed descendents from five different females. Spatial analysis showed a significant association between two sylvatic foci and the nearest D/PD bug population found before insecticide spraying. Conclusions Our study shows that, despite of its high degree of domesticity, T. infestans has sylvatic colonies with normal chromatic characters (not melanic morphs) highly connected to D/PD conspecifics in the Argentinean Chaco. Sylvatic habitats may provide a transient or permanent refuge after control interventions, and function as sources for D/PD reinfestation. The

  20. Dissipative Particle Dynamics at Isoenergetic Conditions Using Shardlow-Like Splitting Algorithms

    DTIC Science & Technology

    2013-09-01

    Avalos and Mackie (3) and later independently by Español (4). The DPD-E method includes an additional equation-of-motion that provides a dynamic... Español (4). To conserve energy in a DPD simulation, an additional variable is introduced that characterizes the internal state of the particles. An...Dissipative Particle Dynamics With Energy Conservation. Europhys. Lett. 1997, 40, 141. 4. Español , P. Dissipative Particle Dynamics With Energy Conservation

  1. Processing the Interspecies Quorum-sensing Signal Autoinducer-2 (AI-2)

    SciTech Connect

    J Marques; P Lamosa; C Russell; R Ventura; C Maycock; M Semmelhack; S Miller; K Xavier

    2011-12-31

    The molecule (S)-4,5-dihydroxy-2,3-pentanedione (DPD) is produced by many different species of bacteria and is the precursor of the signal molecule autoinducer-2 (AI-2). AI-2 mediates interspecies communication and facilitates regulation of bacterial behaviors such as biofilm formation and virulence. A variety of bacterial species have the ability to sequester and process the AI-2 present in their environment, thereby interfering with the cell-cell communication of other bacteria. This process involves the AI-2-regulated lsr operon, comprised of the Lsr transport system that facilitates uptake of the signal, a kinase that phosphorylates the signal to phospho-DPD (P-DPD), and enzymes (like LsrG) that are responsible for processing the phosphorylated signal. Because P-DPD is the intracellular inducer of the lsr operon, enzymes involved in P-DPD processing impact the levels of Lsr expression. Here we show that LsrG catalyzes isomerization of P-DPD into 3,4,4-trihydroxy-2-pentanone-5-phosphate. We present the crystal structure of LsrG, identify potential catalytic residues, and determine which of these residues affects P-DPD processing in vivo and in vitro. We also show that an lsrG deletion mutant accumulates at least 10 times more P-DPD than wild type cells. Consistent with this result, we find that the lsrG mutant has increased expression of the lsr operon and an altered profile of AI-2 accumulation and removal. Understanding of the biochemical mechanisms employed by bacteria to quench signaling of other species can be of great utility in the development of therapies to control bacterial behavior.

  2. Processing the Interspecies Quorum-sensing Signal Autoinducer-2 (AI-2)

    PubMed Central

    Marques, João C.; Lamosa, Pedro; Russell, Caitlin; Ventura, Rita; Maycock, Christopher; Semmelhack, Martin F.; Miller, Stephen T.; Xavier, Karina B.

    2011-01-01

    The molecule (S)-4,5-dihydroxy-2,3-pentanedione (DPD) is produced by many different species of bacteria and is the precursor of the signal molecule autoinducer-2 (AI-2). AI-2 mediates interspecies communication and facilitates regulation of bacterial behaviors such as biofilm formation and virulence. A variety of bacterial species have the ability to sequester and process the AI-2 present in their environment, thereby interfering with the cell-cell communication of other bacteria. This process involves the AI-2-regulated lsr operon, comprised of the Lsr transport system that facilitates uptake of the signal, a kinase that phosphorylates the signal to phospho-DPD (P-DPD), and enzymes (like LsrG) that are responsible for processing the phosphorylated signal. Because P-DPD is the intracellular inducer of the lsr operon, enzymes involved in P-DPD processing impact the levels of Lsr expression. Here we show that LsrG catalyzes isomerization of P-DPD into 3,4,4-trihydroxy-2-pentanone-5-phosphate. We present the crystal structure of LsrG, identify potential catalytic residues, and determine which of these residues affects P-DPD processing in vivo and in vitro. We also show that an lsrG deletion mutant accumulates at least 10 times more P-DPD than wild type cells. Consistent with this result, we find that the lsrG mutant has increased expression of the lsr operon and an altered profile of AI-2 accumulation and removal. Understanding of the biochemical mechanisms employed by bacteria to quench signaling of other species can be of great utility in the development of therapies to control bacterial behavior. PMID:21454635

  3. Protocol Development and Equivalency Testing of the FACTS Procedure for Chlorine Residual Determination in Drinking Water.

    DTIC Science & Technology

    1984-03-15

    titration is capable of differentiating free chlorine (HOCl/OCI-), monochloramine (NH Cl), and dichloramine (NHC1 2 ) and is generally the method of choice...chlorine, Appendix D. A study has recently been reported that details the kinetics of monochloramine oxidation of DPD (19) and confirms the previous...studies ’*-- (5-13). From the kinetic expressions it was shown that the monochloramine interference with the DPD test is dependent in pH, monochloramine

  4. Altered directional connectivity between emotion network and motor network in Parkinson's disease with depression

    PubMed Central

    Liang, Peipeng; Deshpande, Gopikrishna; Zhao, Sinan; Liu, Jiangtao; Hu, Xiaoping; Li, Kuncheng

    2016-01-01

    Abstract Depression is common in patients with Parkinson's disease (PD), which can make all the other symptoms of PD much worse. It is thus urgent to differentiate depressed PD (DPD) patients from non-depressed PD (NDPD). The purpose of the present study was to characterize alterations in directional brain connectivity unique to Parkinson's disease with depression, using resting state functional magnetic resonance imaging (rs-fMRI). Sixteen DPD patients, 20 NDPD patients, 17 patients with major depressive disorder (MDD) and 21 healthy control subjects (normal controls [NC]) underwent structural MRI and rs-fMRI scanning. Voxel-based morphometry and directional brain connectivity during resting-state were analyzed. Analysis of variance (ANOVA) and 2-sample t tests were used to compare each pair of groups, using sex, age, education level, structural atrophy, and/or HAMD, unified PD rating scale (UPDRS) as covariates. In contrast to NC, DPD showed significant gray matter (GM) volume abnormalities in some mid-line limbic regions including dorsomedial prefrontal cortex and precuneus, and sub-cortical regions including caudate and cerebellum. Relative to NC and MDD, both DPD and NDPD showed significantly increased directional connectivity from bilateral anterior insula and posterior orbitofrontal cortices to left inferior temporal cortex. As compared with NC, MDD and NDPD, alterations of directional connectivity in DPD were specifically observed in the pathway from bilateral anterior insula and posterior orbitofrontal cortices to right basal ganglia. Resting state directional connectivity alterations were observed between emotion network and motor network in DPD patients after controlling for age, sex, structural atrophy. Given that these alterations are unique to DPD, it may provide a potential differential biomarker for distinguishing DPD from NC, NDPD, and MDD. PMID:27472694

  5. Shock simulations of a single-site coarse-grain RDX model using the dissipative particle dynamics method with reactivity

    NASA Astrophysics Data System (ADS)

    Sellers, Michael S.; Lísal, Martin; Schweigert, Igor; Larentzos, James P.; Brennan, John K.

    2017-01-01

    In discrete particle simulations, when an atomistic model is coarse-grained, a tradeoff is made: a boost in computational speed for a reduction in accuracy. The Dissipative Particle Dynamics (DPD) methods help to recover lost accuracy of the viscous and thermal properties, while giving back a relatively small amount of computational speed. Since its initial development for polymers, one of the most notable extensions of DPD has been the introduction of chemical reactivity, called DPD-RX. In 2007, Maillet, Soulard, and Stoltz introduced implicit chemical reactivity in DPD through the concept of particle reactors and simulated the decomposition of liquid nitromethane. We present an extended and generalized version of the DPD-RX method, and have applied it to solid hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Demonstration simulations of reacting RDX are performed under shock conditions using a recently developed single-site coarse-grain model and a reduced RDX decomposition mechanism. A description of the methods used to simulate RDX and its transition to hot product gases within DPD-RX is presented. Additionally, we discuss several examples of the effect of shock speed and microstructure on the corresponding material chemistry.

  6. Underlying manifestations of developmental phonological disorders in French-speaking pre-schoolers.

    PubMed

    Brosseau-Lapré, Françoise; Rvachew, Susan

    2016-11-17

    This study examined the psycholinguistic profiles of Quebec French-speaking children with developmental phonological disorders (DPD). The purpose was to determine whether the endophenotypes that have been identified in English-speaking children with DPD are similarly associated with speech impairment in French-speaking children. Seventy-two children with DPD and ten children with normally developing speech, aged four to six years, received a comprehensive assessment battery that included measures at the phenotype level (i.e. measures of overt speech production skills) and endophenotype level (i.e. measures of potential underlying core deficits such as phonological processing or oral motor impairments). The majority of the children with DPD presented with a psycholinguistic profile indicative of difficulties with phonological processing. Phonological processing skills also explained unique variance in speech production accuracy, indicating that French-speaking children with DPD, who produce different surface speech errors than English-speaking children with DPD, are nonetheless very similar with regards to their underlying psycholinguistic profile.

  7. Probing autoinducer-2 based quorum sensing: the biological consequences of molecules unable to traverse equilibrium states.

    PubMed

    Tsuchikama, Kyoji; Lowery, Colin A; Janda, Kim D

    2011-09-02

    Bacteria have developed a cell-to-cell communication system, termed quorum sensing (QS), which allows for the population-dependent coordination of their behavior via the exchange of chemical signals. Autoinducer-2 (AI-2), a class of QS signals derived from 4,5-dihydroxy-2,3-pentandione (DPD), has been revealed as a universal signaling molecule in a variety of bacterial species. In spite of considerable interest, the study of putative AI-2 based QS systems remains a challenging topic in part due to the rapid interconversion between the linear and cyclic forms of DPD. Herein, we report the design and development of efficient syntheses of carbocyclic analogues of DPD, which are locked in the cyclic form. The synthetic analogues were evaluated for the modulation of AI-2-based QS in Vibrio harveyi and Salmonella typhimurium. No agonists were uncovered in either V. harveyi or S. typhimurium assay, whereas weak to moderate antagonists were found against V. harveyi. On the basis of NMR analyses and DFT calculations, the heterocyclic oxygen atom within DPD appears necessary to promote hydration at the C3 position of cyclic DPD to afford the active tetrahydroxy species. These results also shed light on the interaction between the heterocyclic oxygen atom and receptor proteins as well as the importance of the linear form and dynamic equilibrium of DPD as crucial requirements for activation of AI-2 based QS circuits.

  8. Construction of dissipative particle dynamics models for complex fluids via the Mori-Zwanzig formulation.

    PubMed

    Li, Zhen; Bian, Xin; Caswell, Bruce; Karniadakis, George Em

    2014-11-21

    We present a bottom-up coarse-graining procedure to construct mesoscopic force fields directly from microscopic dynamics. By grouping many bonded atoms in the molecular dynamics (MD) system into a single cluster, we compute both the conservative and non-conservative interactions between neighboring clusters. In particular, we perform MD simulations of polymer melts to provide microscopic trajectories for evaluating coarse-grained (CG) interactions. Subsequently, dissipative particle dynamics (DPD) is considered as the effective dynamics resulting from the Mori-Zwanzig (MZ) projection of the underlying atomistic dynamics. The forces between finite-size clusters have, in general, both radial and transverse components and hence we employ four different DPD models to account differently for such interactions. Quantitative comparisons between these DPD models indicate that the DPD models with MZ-guided force fields yield much better static and dynamics properties, which are consistent with the underlying MD system, compared to standard DPD with empirical formulae. When the rotational motion of the particle is properly taken into account, the entire velocity autocorrelation function of the MD system as well as the pair correlation function can be accurately reproduced by the MD-informed DPD model. Since this coarse-graining procedure is performed on an unconstrained MD system, our framework is general and can be used in other soft matter systems in which the clusters can be faithfully defined as CG particles.

  9. Foreign Language Learning: Strategies in the Context of STEM Education (Estrategias de Aprendizaje de Lenguas Extranjeras en el Contexto de la Educación STEM)

    ERIC Educational Resources Information Center

    Han, Turgay

    2015-01-01

    This study aims at providing an insightful evaluation of the EFL strategies used by first-year STEM (science, technology, engineering, and mathematics) students, and their perceptions of their own use of strategies. The 147 participants were undergraduate level, first-year engineering students at a state university in Turkey. Their ages ranged…

  10. Reading Strategies to Develop Higher Thinking Skills for Reading Comprehension (Estrategias de lectura para el desarrollo de habilidades de pensamiento para la comprensión de lectura)

    ERIC Educational Resources Information Center

    Echeverri Acosta, Luz Marina; McNulty Ferri, Maria

    2010-01-01

    This paper reports an action research project which examined the foreign language reading comprehension of public school eighth graders who experienced a directed reading-thinking approach with strategies for comprehension and application. The strategies used were prediction, prior knowledge, graphic organizers, and questions. Data analyzed…

  11. Training in Metacognitive Strategies for Students' Vocabulary Improvement by Using Learning Journals (Entrenamiento de estrategias metacognitivas para mejorar vocabulario a través de diarios de aprendizaje)

    ERIC Educational Resources Information Center

    Diaz, Itala

    2015-01-01

    This study examined the effects of metacognitive strategies to help beginning young learners with difficulties increasing and retaining vocabulary. This was a qualitative study in which participants first went through metacognitive strategy instruction to provide awareness of learning strategies. Following this instruction, students underwent a…

  12. Evangelizacion Indigena en Cuba (1512-1550): Estrategia y Razones de su Fracaso (Evangelization of Indigenous People in Cuba (1512-1550): Strategies and Reasons for its Failure).

    ERIC Educational Resources Information Center

    Puentes, Roberto Valdes; Reyes, Francisco Barroso

    2000-01-01

    Presents the different moments and contents of the strategies of the evangelization process practiced by the Spanish during the conquest and colonization of Cuba, as well as possible reasons for its failure. States that the Indians were enslaved and directed through evangelism toward acculturation. (BT)

  13. Building up Autonomy through Reading Strategies (Formación en autonomía a través de estrategias de lectura)

    ERIC Educational Resources Information Center

    Izquierdo Castillo, Alexander; Jiménez Bonilla, Sonia

    2014-01-01

    This article reports on an action research project conducted with six ninth grade students in a rural public school in Colombia. The purpose of the study was to determine how the implementation of three reading strategies (skimming, scanning, and making predictions), when reading topics selected by learners, helps them to improve their reading…

  14. Biblioteca Virtual de Salud Enfermería Regional: Trayectoria de Construcción, Fuentes de Información, Estrategias y Próximos Pasos.

    PubMed Central

    Lana, Francisco C. F.; Malvárez, Silvina

    2012-01-01

    Resumen La BVS Enfermeria constituye un nuevo paradigma en enfermería una vez que o modelo representa una expansión de la cooperación técnica y ha como objetivos centrales promover la ampliación del acceso la información sobre enfermería la través del acceso universal equitativo y construir un patrimonio informacional en enfermería, ayudando la mejorar la formación y práctica de enfermería a actuar con compromiso ético-social en el área de educación, investigación y atención a la salud. Como resultado del proceso de sensibilización, verifica-se la construcción de Bibliotecas Virtuales de Enfermería en varios países (Brasil, Argentina, Bolívia y Uruguay). La expectativa es que las BVS’s nacionais convergen a un gran portal que se está construyendo en una colaboración con BIREME/OPS/OMS, de la Asesoría Regional de Enfermería de la OPS-Washington y de Ministerio de Salud del Brasil, así como instituciones líderes en la producción del conocimiento en enfermería Iberoamérica. PMID:24199093

  15. Screenwriting: A Strategy for the Improvement of Writing Instructional Practices (La escritura de guiones: una estrategia para mejorar las prácticas instruccionales de escritura)

    ERIC Educational Resources Information Center

    Amado, Hernán

    2010-01-01

    This article presents a pedagogical experience that addresses the use of an instructional strategy called screenwriting aimed at improving the teaching of writing in an educational context. This pedagogical intervention took place in a private English language school, where three adult students willingly participated to create their own short…

  16. La Red Regional Replad: Una Estrategia Innovadora para la Capacitacion de Administradores Educacionales (The Regional Network Replad: An Innovative Strategy for the Training and Preparation of Educational Administrators).

    ERIC Educational Resources Information Center

    Jimenez Espinoza, Jorge

    This document presents an overview, analysis, and historical assessment of the Major Project for Education in Latin America and the Caribbean. Conferences, regional meetings, and outcomes from the inception of the project in 1979 are described. This project stresses the establishment of a regional network for exchange of information, experiences,…

  17. Investigacion Educativa: Areas - Politicas - Estrategias y Proyectos del ICOLPE, 2 (Educational Research: Topics, Policies, Strategies, and Projects of the Colombian Institute of Pedagogy, 2),

    ERIC Educational Resources Information Center

    Ministerio de Educacion Nacional, Bogota (Colombia). Instituto Colombiano de Pedagogia.

    This booklet defines and establishes guidelines for educational research in Colombia. Sections describe basic philosophy and objectives, types of research, policies for educational investigation, governmental role, and principle areas for educational research. A listing of current and proposed research projects is provided. The final section…

  18. Deoxypyridinoline in the Urine of Rats with Unloaded Hindlimbs

    NASA Technical Reports Server (NTRS)

    Arnaud, Sara B.; Navidi, M.; Wren, J.; Holton, Emily M. (Technical Monitor)

    1997-01-01

    The urinary excretion of deoxypyridinoline (U-Dpd), a nonreducible collagen crosslink in bone released by osteoclastic activity, is thought to be an accurate marker of bone resorption. The role of increased resorption in the osteopenia of a space flight model which unloads the hindlimbs by suspending the tail is controversial. To assess skeletal resorption in the model we measured U-Dpd (Pyrilinks-D, Metro Biosystems, Inc.) in serial 24 hour urine specimens collected from 250 a (Y) and 450 a (M) male rats with unloaded hindlimbs for four weeks. Both groups of rats were fed AIN76 diets with calcium restricted to 0.2% in Y and to 0.1 % in M. Blood was obtained after 28 days for parathyroid hormone (PTH), 1,25-dihydroxyvitamin D (1,25-D) and alkaline phosphatase (Alkptase). Basal U-Dpd was higher and more variable in Y than M (475+/-200 vs 67+/-9, nM/mM creatinine, p<.001). Repeated measures ANOVA in Y revealed decreases in U-Dpd, 36% in control (C) and 24% in unloaded (S) rats (p<.005). There was a nadir in YS on the 14th day not observed in YC (p<.05). U-Dpd in MC showed no change, but increased in MS by the 14th day and remained elevated. At the end of the experiment, body weights in both Y and M were less in S than C (337+/-16 vs 306+/-12g and 485+/-10 vs 461+/-6g, p=.002). Bill was inversely related to U-Dpd only in M (r=0.699, p=.024). PTH, similar in C and S in Y (52+/-15 vs 42+/-7pg/ml, NS) and M (68+/-13 vs 61+/-12, NS), was unrelated to U-Dpd. 1,25-D tended toward higher values in YC than YS (197+/-103 vs 119+/-30, NS) and correlated with U-Dpd (0.773, p=.015). Alkptase, 1.3 times higher in Y than M, was similar in C and S at the end of unloading. These findings indicate that bone resorption, as reflected by U-Dpd, is suppressed in young and stimulated in mature rats exposed to a space flight model. U-Dpd reflects reduced growth from the diet change in young control and experimental rats and loss of Bill in mature animals exposed to the space flight model, 2

  19. Factors predicting the response to oral fluoropyrimidine drugs: a phase II trial on the individualization of postoperative adjuvant chemotherapy using oral fluorinated pyrimidines in stage III colorectal cancer treated by curative resection (ACT-01 Study).

    PubMed

    Mori, Takeo; Ohue, Masayuki; Takii, Yasumasa; Hashizume, Tadashi; Kato, Tomoyuki; Kotake, Kenjiro; Sato, Toshihiko; Tango, Toshiro

    2013-02-01

    We evaluated the predictive relevance of several biomarkers on the survival of patients with stage III colorectal cancer treated with adjuvant chemotherapy of oral fluoropyrimidines. This was a multicenter phase II trial on adult patients with histologically confirmed resected stage III (Dukes' C) colorectal cancer. Patients received oral doxifluridine (800 mg/m2/day) in 3 divided doses, or oral uracil/tegafur (UFT) (400 mg/m2/day) in 2 divided doses for 5 days, every 7 days for 12 months with a 5-year follow-up. Outcome measures were disease-free survival and tissue markers [thymidine phosphorylase (TP), dihydropyrimidine dehydrogenase (DPD) protein levels and TP, DPD, thymidylate synthase (TS) and orotate phosphoribosyltransferase (OPRT) mRNA levels in tumor samples and TS tandem-repeat type in blood samples]. There was a significant association between the intratumoral TP/DPD enzyme ratio and disease-free survival when the model included the drug, the parameter and the interactions between them [hazard ratio (HR)=2.76; P=0.00469]. The 5-year disease-free survival rate was statistically significantly higher in patients with high TP/DPD ratios [median ≥2.63: 71.9%; 95% confidence interval (CI) 61.4-80.0] compared to patients with low TP/DPD ratios (<2.63: 57.0%; 95% CI 46.3-66.3) (log-rank P=0.0277) following adjuvant therapy with oral fluoropyrimidines. No significant association was observed between the intratumoral TP/DPD enzyme ratio (cut-off value 2.0) and the disease-free survival rate in the doxifluridine group; primary endpoint (log-rank P=0.6850). The magnitude of the intratumoral TP/DPD enzyme ratio may be a potential indicator for the individualization of postoperative adjuvant chemotherapy with oral fluoropyrimidines for stage III colorectal cancer.

  20. Computing the non-Markovian coarse-grained interactions derived from the Mori-Zwanzig formalism in molecular systems: Application to polymer melts.

    PubMed

    Li, Zhen; Lee, Hee Sun; Darve, Eric; Karniadakis, George Em

    2017-01-07

    Memory effects are often introduced during coarse-graining of a complex dynamical system. In particular, a generalized Langevin equation (GLE) for the coarse-grained (CG) system arises in the context of Mori-Zwanzig formalism. Upon a pairwise decomposition, GLE can be reformulated into its pairwise version, i.e., non-Markovian dissipative particle dynamics (DPD). GLE models the dynamics of a single coarse particle, while DPD considers the dynamics of many interacting CG particles, with both CG systems governed by non-Markovian interactions. We compare two different methods for the practical implementation of the non-Markovian interactions in GLE and DPD systems. More specifically, a direct evaluation of the non-Markovian (NM) terms is performed in LE-NM and DPD-NM models, which requires the storage of historical information that significantly increases computational complexity. Alternatively, we use a few auxiliary variables in LE-AUX and DPD-AUX models to replace the non-Markovian dynamics with a Markovian dynamics in a higher dimensional space, leading to a much reduced memory footprint and computational cost. In our numerical benchmarks, the GLE and non-Markovian DPD models are constructed from molecular dynamics (MD) simulations of star-polymer melts. Results show that a Markovian dynamics with auxiliary variables successfully generates equivalent non-Markovian dynamics consistent with the reference MD system, while maintaining a tractable computational cost. Also, transient subdiffusion of the star-polymers observed in the MD system can be reproduced by the coarse-grained models. The non-interacting particle models, LE-NM/AUX, are computationally much cheaper than the interacting particle models, DPD-NM/AUX. However, the pairwise models with momentum conservation are more appropriate for correctly reproducing the long-time hydrodynamics characterised by an algebraic decay in the velocity autocorrelation function.

  1. New insights in dihydropyrimidine dehydrogenase deficiency: a pivotal role for beta-aminoisobutyric acid?

    PubMed

    Van Kuilenburg, André B P; Stroomer, Alida E M; Van Lenthe, Henk; Abeling, Nico G G M; Van Gennip, Albert H

    2004-04-01

    DPD (dihydropyrimidine dehydrogenase) constitutes the first step of the pyrimidine degradation pathway, in which the pyrimidine bases uracil and thymine are catabolized to beta-alanine and the R-enantiomer of beta-AIB (beta-aminoisobutyric acid) respectively. The S-enantiomer of beta-AIB is predominantly derived from the catabolism of valine. It has been suggested that an altered homoeostasis of beta-alanine underlies some of the clinical abnormalities encountered in patients with a DPD deficiency. In the present study, we demonstrated that only a slightly decreased concentration of beta-alanine was present in the urine and plasma, whereas normal levels of beta-alanine were present in the cerebrospinal fluid of patients with a DPD deficiency. Therefore the metabolism of beta-alanine-containing peptides, such as carnosine, may be an important factor involved in the homoeostasis of beta-alanine in patients with DPD deficiency. The mean concentration of beta-AIB was approx. 2-3-fold lower in cerebrospinal fluid and urine of patients with a DPD deficiency, when compared with controls. In contrast, strongly decreased levels (10-fold) of beta-AIB were present in the plasma of DPD patients. Our results demonstrate that, under pathological conditions, the catabolism of valine can result in the production of significant amounts of beta-AIB. Furthermore, the observation that the R-enantiomer of beta-AIB is abundantly present in the urine of DPD patients suggests that significant cross-over exists between the thymine and valine catabolic pathways.

  2. A comparison of methods for measuring serum and urinary markers of bone metabolism in cats.

    PubMed

    DeLaurier, A; Jackson, B; Pfeiffer, D; Ingham, K; Horton, M A; Price, J S

    2004-08-01

    Biochemical markers of bone cell activity have recently been shown to be useful for monitoring skeletal health in domestic animals, including dogs and horses. The aim of this study was to evaluate a number of biochemical assays, originally developed for use in humans, for their ability to measure indicators of bone cell activity in serum and urine of normal cats over a range of ages. Bone alkaline phosphatase (BAP), a marker of bone formation, was measured in serum using wheatgerm lectin precipitation (WGL) and by ELISA. The curve derived from serial dilution of feline serum was parallel with the ELISA standard curve, indicating species cross-reactivity, and there was a significant relationship between assays (rs = 0.97, P < 0.001). Deoxypyridinoline (DPD), a marker of bone resorption, was measured in its total form in urine by HPLC and ELISA, and in its free form in serum and urine by ELISA. The dilution curve for free DPD in urine showed parallelism with the assay standard curve; however, the curves for total DPD in urine and serum did not. A significant relationship was established between total urinary DPD (HPLC) with total serum DPD (rs = 0.69, P < 0.001), and with free urinary DPD (rs = 0.95, P < 0.001) concentrations. Carboxy-terminal telopeptide of type I collagen (CTX) concentration, another marker of bone resorption, was measured in serum and urine by ELISA, and there was a significant relationship between assays (rs = 0.82, P < 0.001). CTX could not be measured reliably using an auto-analysis method. A significant relationship was established between total urinary DPD (HPLC) with serum CTX (rs = 0.59, P < 0.05), and urinary CTX (rs = 0.65, P < 0.001) concentrations. BAP (ELISA and WGL), total urinary DPD (HPLC), urinary CTX (ELISA), and serum CTX (ELISA) concentrations were significantly inversely correlated with age (rs = -0.66, -0.88, -0.61, -0.70, and -0.51, P < 0.05 respectively). Cats under two years of age had significantly higher BAP, total

  3. Echo contrast-enhanced three-dimensional power Doppler of intracranial arteries.

    PubMed

    Postert, T; Braun, B; Pfundtner, N; Sprengelmeyer, R; Meves, S; Przuntek, H; Büttner, T

    1998-09-01

    The purpose of this study was to evaluate the potential of contrast-enhanced three-dimensional (3-D) power Doppler (CE3DPD) in the assessment of intracranial vascular structures, and to compare the results with unenhanced 3-D power Doppler (3DPD) and magnetic resonance angiography (MRA) findings. We insonated 25 patients without cerebrovascular diseases through the temporal bone window using 3DPD and CE3DPD; for comparison, 13 patients underwent MRA. Identification rates of vascular segments and of small branches of intracranial vessels were evaluated by two independent investigators blinded to MRA results. In 21 patients with adequate insonation conditions, CE3DPD significantly improved identification rates compared to 3DPD for the complete visualization of the P1 segment (80.9 vs. 19.0%, p < 0.005, P2 segment (80.9 vs. 42.8%, p < 0.05 and A1 segment (85.7 vs. 38.1%, p < 0.005). Furthermore, CE3DPD depicted, in significantly more examinations, branches of the middle (MCA) and posterior cerebral artery (PCA). Interobserver agreement was higher than 95% for the main intracranial segments and branches of the MCA, but relatively low (80.1-85.7%) for branches of the PCA. In comparison to CE3DPD, MRA identified only parieto-occipital branches of the PCA, temporal branches of the MCA, frontal branches of the anterior cerebral artery and the MCA bifurcation more frequently and accurately. In 4 patients with inadequate acoustic temporal bone windows, the application of a galactose-based microbubble suspension allowed clear 3-D visualization of almost all major intracranial vascular segments and some branches of the large arteries. In conclusion, CE3DPD is a more sensitive ultrasonic tool compared to unenhanced 3-D reconstructions. It makes 3-D ultrasound imaging of the basal cerebral circulation easier to perform and interpret, by providing an improved spatially oriented display of image position. As such, this method may increase operator diagnostic confidence level under

  4. Observação do abrilhantamento de limbo solar e de estruturas filamentares em 48 ghz utilizando a técnica de regularização adaptativa

    NASA Astrophysics Data System (ADS)

    Machado, W. R. S.; Mascarenhas, N.; Costa, J. E. R.; Silva, A. V. R.

    2003-08-01

    O radiotelescópio do Itapetinga tem sido utilizado em campanhas de observações de explosões solares gerando um grande número de mapas diários em 48 GHz como sub-produto destas observações. A resolução espacial do telescópio de 14m do Itapetinga nesta freqüência é de aproximadamente dois minutos de arco. Estruturas de interesse para análise da atmosfera solar quiescente tais como os filamentos e o anel de abrilhantamento do limbo são de dimensão angular moderada da ordem ou ligeiramente menores que a resolução do telescópio. É conhecido que a convolução da função de espalhamento do telescópio, PSF (padrão de ganho do feixe) borra as estruturas de dimensão angular abaixo do HPBW (largura a meia potência do feixe) e portanto é comum a busca por técnicas de restauração que eliminem pelo menos em parte este borramento. Estudamos a restauração destas radioimagens usando a técnica de regularização adaptativa e os resultados ressaltam estas estruturas espaciais de pequeno contraste. O algoritmo da regularização adaptativa faz uso de k imagens, chamadas protótipos, obtidas através da variação de parâmetros de um filtro de regularização. Para controle da qualidade da restauração utilizamos uma imagem de alta resolução espacial obtida na linha H-a e a PSF do Itapetinga para borrá-la. Pequenos desvios, entre a PSF utilizada para o borramento e a PSF utilizada na restauração, produziram alguns desvios notáveis na imagem restaurada porém a adição de ruído nas simulações de restauração foram mais influentes no cálculo da rugosidade da imagem e portanto mais limitante para a restauração. Apresentamos como nosso primeiro resultado uma imagem em 48 GHz com a presença clara do abrilhantamento de limbo que não estava evidente na imagem original e traços de estruturas filamentares, porém ainda sem grande evidência.

  5. Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism

    NASA Astrophysics Data System (ADS)

    Li, Zhen; Bian, Xin; Li, Xiantao; Karniadakis, George Em

    2015-12-01

    The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces is often employed to simplify the formulation of coarse-grained (CG) models and numerical implementations. However, when the time scales of a system are not clearly separated, the memory effects become strong and the Markovian assumption becomes inaccurate. To this end, we incorporate memory effects into CG modeling by preserving non-Markovian interactions between CG variables, and the memory kernel is evaluated directly from microscopic dynamics. For a specific example, molecular dynamics (MD) simulations of star polymer melts are performed while the corresponding CG system is defined by grouping many bonded atoms into single clusters. Then, the effective interactions between CG clusters as well as the memory kernel are obtained from the MD simulations. The constructed CG force field with a memory kernel leads to a non-Markovian dissipative particle dynamics (NM-DPD). Quantitative comparisons between the CG models with Markovian and non-Markovian approximations indicate that including the memory effects using NM-DPD yields similar results as the Markovian-based DPD if the system has clear time scale separation. However, for systems with small separation of time scales, NM-DPD can reproduce correct short-time properties that are related to how the system responds to high-frequency disturbances, which cannot be captured by the Markovian-based DPD model.

  6. Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

    NASA Astrophysics Data System (ADS)

    Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V.

    2016-01-01

    Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments.

  7. Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism

    SciTech Connect

    Li, Zhen; Bian, Xin; Karniadakis, George Em; Li, Xiantao

    2015-12-28

    The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces is often employed to simplify the formulation of coarse-grained (CG) models and numerical implementations. However, when the time scales of a system are not clearly separated, the memory effects become strong and the Markovian assumption becomes inaccurate. To this end, we incorporate memory effects into CG modeling by preserving non-Markovian interactions between CG variables, and the memory kernel is evaluated directly from microscopic dynamics. For a specific example, molecular dynamics (MD) simulations of star polymer melts are performed while the corresponding CG system is defined by grouping many bonded atoms into single clusters. Then, the effective interactions between CG clusters as well as the memory kernel are obtained from the MD simulations. The constructed CG force field with a memory kernel leads to a non-Markovian dissipative particle dynamics (NM-DPD). Quantitative comparisons between the CG models with Markovian and non-Markovian approximations indicate that including the memory effects using NM-DPD yields similar results as the Markovian-based DPD if the system has clear time scale separation. However, for systems with small separation of time scales, NM-DPD can reproduce correct short-time properties that are related to how the system responds to high-frequency disturbances, which cannot be captured by the Markovian-based DPD model.

  8. Comparison of colorimetric and membrane introduction mass spectrometry techniques for chloramine analysis.

    PubMed

    Lee, Wontae; Westerhoff, Paul; Yang, Xin; Shang, Chii

    2007-07-01

    Three methods for the determination of chloramines in water were compared using pH-buffered nanopure water and natural organic matter (NOM) solutions. We investigated whether the N,N-diethyl-p-phenylenediamine (DPD) colorimetric method and/or an adapted indophenol method (Hach MonochlorF) are suitable for determining the concentration of monochloramine in drinking water. Membrane introduction mass spectrometry (MIMS) was used as a reference analysis method to determine the different chloramine species in water. All methods measured monochloramine accurately in Nanopure water, but the DPD colorimetric method measured higher residuals (inorganic and organic chloramines) than MonochlorF or MIMS when in the presence of NOM due to organic chloramines. The indophenol method (MonochlorF) accurately detected only monochloramine and not other chloramine forms. Overall, the monochloramine concentration measured by MonochlorF was comparable with the MIMS results. A combined chlorine residual approach by the DPD colorimetric method does not differentiate between monochloramine and organic chloramines. Therefore, DPD colorimetric methods can overestimate disinfection efficacy in chloraminated water systems because of interference from organic chloramines that have no or poor bactericidal ability. Compared with the DPD colorimetric method, MonochlorF is a better choice for chloraminated water systems.

  9. Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

    SciTech Connect

    Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V.

    2016-01-07

    Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments.

  10. Distortion and flow of nematics simulated by dissipative particle dynamics.

    PubMed

    Zhao, Tongyang; Wang, Xiaogong

    2014-05-14

    In this study, we simulated distortion and flow of nematics by dissipative particle dynamics (DPD). The nematics were modeled by a binary mixture that contained rigid rods composed of DPD particles as mesogenic units and normal DPD particles as solvent. Elastic distortions were investigated by monitoring director orientation in space under influences of boundary anchoring and external fields. Static distortion demonstrated by the simulation is consistent with the prediction of Frank elastic theory. Spatial distortion profile of the director was examined to obtain static elastic constants. Rotational motions of the director under influence of the external field were simulated to understand the dynamic process. The rules revealed by the simulation are in a good agreement with those obtained from dynamical experiments and classical theories for nematics. Three Miesowicz viscosities were obtained by using external fields to hold the orientation of the rods in shear flows. The simulation showed that the Miesowicz viscosities have the order of ηc > ηa > ηb and the rotational viscosity γ1 is about two orders larger than the Miesowicz viscosity ηb. The DPD simulation correctly reproduced the non-monotonic concentration dependence of viscosity, which is a unique property of lyotropic nematic fluids. By comparing simulation results with classical theories for nematics and experiments, the DPD nematic fluids are proved to be a valid model to investigate the distortion and flow of lyotropic nematics.

  11. Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism.

    PubMed

    Li, Zhen; Bian, Xin; Li, Xiantao; Karniadakis, George Em

    2015-12-28

    The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces is often employed to simplify the formulation of coarse-grained (CG) models and numerical implementations. However, when the time scales of a system are not clearly separated, the memory effects become strong and the Markovian assumption becomes inaccurate. To this end, we incorporate memory effects into CG modeling by preserving non-Markovian interactions between CG variables, and the memory kernel is evaluated directly from microscopic dynamics. For a specific example, molecular dynamics (MD) simulations of star polymer melts are performed while the corresponding CG system is defined by grouping many bonded atoms into single clusters. Then, the effective interactions between CG clusters as well as the memory kernel are obtained from the MD simulations. The constructed CG force field with a memory kernel leads to a non-Markovian dissipative particle dynamics (NM-DPD). Quantitative comparisons between the CG models with Markovian and non-Markovian approximations indicate that including the memory effects using NM-DPD yields similar results as the Markovian-based DPD if the system has clear time scale separation. However, for systems with small separation of time scales, NM-DPD can reproduce correct short-time properties that are related to how the system responds to high-frequency disturbances, which cannot be captured by the Markovian-based DPD model.

  12. Symmetry boundary condition in dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Pal, Souvik; Lan, Chuanjin; Li, Zhen; Hirleman, E. Daniel; Ma, Yanbao

    2015-07-01

    Dissipative particle dynamics (DPD) is a coarse-grained particle method for modeling mesoscopic hydrodynamics. Most of the DPD simulations are carried out in 3D requiring remarkable computation time. For symmetric systems, this time can be reduced significantly by simulating only one half or one quarter of the systems. However, such simulations are not yet possible due to a lack of schemes to treat symmetric boundaries in DPD. In this study, we propose a numerical scheme for the implementation of the symmetric boundary condition (SBC) in both dissipative particle dynamics (DPD) and multibody dissipative particle dynamics (MDPD) using a combined ghost particles and specular reflection (CGPSR) method. We validate our scheme in four different configurations. The results demonstrate that our scheme can accurately reproduce the system properties, such as velocity, density and meniscus shapes of a full system with numerical simulations of a subsystem. Using a symmetric boundary condition for one half of the system, we demonstrate about 50% computation time saving in both DPD and MDPD. This approach for symmetric boundary treatment can be also applied to other coarse-grained particle methods such as Brownian and Langevin Dynamics to significantly reduce computation time.

  13. Conditional reasoning in Asperger's syndrome and depersonalization disorder.

    PubMed

    Lawrence, Emma Jane; Dumigan, Rachael; Schoenberg, Poppy; Mauricio, Sierra; Murphy, Declan G; David, Anthony S

    2012-09-01

    Conditional reasoning premises can be systematically manipulated to elicit specific response patterns. This is useful for investigating the reasoning style of people who report clinical symptoms. We administered a standardized conditional reasoning task to 16 participants with a diagnosis of Asperger's syndrome (AS), 16 participants with a diagnosis of depersonalization disorder (DPD), and 32 intelligence-quotient-matched controls. Premises were manipulated for a) context, with some being embedded within extra statements, and b) content, neutral or emotional. Both the AS and DPD participants were less likely to incorporate exceptions to the given premises than the controls, indicating difficulties with mental flexibility, although this effect was less marked in the DPD group. It seems the AS participants were also less influenced than the controls by statements that highlight possible alternative consequences. However, this effect was less robust than that observed with statements detailing exceptions, suggesting it may be because of general problems with executive function rather than difficulties in processing contextual information. We did not observe the expected difference between the DPD participants and the controls when reasoning with emotional premises. Overall, these data suggest that the DPD and AS participants have distinct reasoning styles, which may be of use for interventions based on cognitive change.

  14. Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

    SciTech Connect

    Deichmann, Gregor; Marcon, Valentina; Vegt, Nico F. A. van der

    2014-12-14

    Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived from fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics.

  15. Dissipative particle dynamics simulation of dilute polymer solutions—Inertial effects and hydrodynamic interactions

    SciTech Connect

    Zhao, Tongyang; Wang, Xiaogong; Jiang, Lei; Larson, Ronald G.

    2014-07-01

    We examine the accuracy of dissipative particle dynamics (DPD) simulations of polymers in dilute solutions with hydrodynamic interaction (HI), at the theta point, modeled by setting the DPD conservative interaction between beads to zero. We compare the first normal-mode relaxation time extracted from the DPD simulations with theoretical predictions from a normal-mode analysis for theta chains. We characterize the influence of bead inertia within the coil by a ratio L{sub m}/R{sub g}, where L{sub m} is the ballistic distance over which bead inertia is lost, and R{sub g} is the radius of gyration of the polymer coil, while the HI strength per bead h* is determined by the ratio of bead hydrodynamic radius (r{sub H}) to the equilibrium spring length. We show how to adjust h* through the spring length and monomer mass, and how to optimize the accuracy of DPD for fixed h* by increasing the friction coefficient (γ ≥ 9) and by incorporating a nonlinear distance dependence into the frictional interaction. Even with this optimization, DPD simulations exhibit deviations of over 20% from the theoretical normal-mode predictions for high HI strength with h* ≥ 0.20, for chains with as many as 100 beads, which is a larger deviation than is found for Stochastic rotation dynamics simulations for similar chains lengths and values of h*.

  16. The roles of dominos and nonsimultaneous chains in kidney paired donation.

    PubMed

    Gentry, S E; Montgomery, R A; Swihart, B J; Segev, D L

    2009-06-01

    Efforts to expand kidney paired donation have included matching nondirected donors (NDDs) to incompatible pairs. In domino paired donation (DPD), an NDD gives to the recipient of an incompatible pair, beginning a string of simultaneous transplants that ends with a living donor giving to a recipient on the deceased donor waitlist. Recently, nonsimultaneous extended altruistic donor (NEAD) chains were introduced. In a NEAD chain, the last donor of the string of transplants initiated by an NDD is reserved to donate at a later time. Our aim was to project the impact of each of these strategies over 2 years of operation for paired donation programs that also allocate a given number of NDDs. Each NDD facilitated an average of 1.99 transplants using DPD versus 1.90 transplants using NEAD chains (p = 0.3), or 1.0 transplants donating directly to the waitlist (p < 0.001). NEAD chains did not yield more transplants compared with simultaneous DPD. Both DPD and NEAD chains relax reciprocality requirements and rebalance the blood-type distribution of donors. Because traditional paired donation will leave many incompatible pairs unmatched, novel approaches like DPD and NEAD chains must be explored if paired donation programs are to help a greater number of people.

  17. A theoretical investigation into the conformational changes of dibenzo- p-dioxin, thianthrene, and selenanthrene

    NASA Astrophysics Data System (ADS)

    Kim, Sunghwan; Kwon, Younghi; Lee, Jong-Phil; Choi, Seung-Youl; Choo, Jaebum

    2003-08-01

    Theoretical ab initio calculations using the HF and B3LYP methods have been carried out to investigate the conformational differences of three cyclic rings, dibenzo- p-dioxin (DPD), thianthrene (THT), and selenanthrene (SET). The physical origin for the conformational preference of each molecule has been studied using the natural bond orbital (NBO) analysis. The NBO results indicate that DPD exists in a planar form due to strong electron delocalization caused by the specific orbital interaction, nπ→ πCC∗, around the X atom. On the other hand, THT and SET exist as puckered forms with high inversion barriers due to less effective electron delocalization. The NBO analysis also shows that the conformational stabilization in DPD is caused by a more effective overlap of the 2 pz- πCC∗ orbitals, compared with the overlap of the 3 pz- πCC∗ orbitals in THT.

  18. Use of Daily Phone Diary to study religiosity and mood: Convergent validity

    PubMed Central

    Szczesniak, Rhonda D.; Zou, Yuanshu; Dimitriou, Sophia M.; Quittner, Alexandra L.; Grossoehme, Daniel H.

    2017-01-01

    Studies of religious/spiritual behavior frequently rely on self-reported questionnaire data, which is susceptible to bias. The Daily Phone Diary (DPD) was developed to minimize bias in reporting activities and behavior across a 24-hour period. A cross-sectional study of 126 parents of children with cystic fibrosis was used to establish the validity of the DPD to study religious/spiritual behaviors. Longitudinal models were used to determine the odds of improved mood during religious/spiritual activities. Convergent validity was found. Participants had increased odds of improved mood during religious/spiritual activities compared to non-religious/spiritual activities. Associations with gender and religious affiliations were found. The DPD is a valid tool for studying religious/spiritual activities and opens novel avenues for chaplaincy research and the development of chaplaincy interventions incorporating these findings. PMID:27869567

  19. Analysis of the effects of disk tilt on the differential-phase-detection signal in a high-density DVD read-only disk driver.

    PubMed

    Shen, Quanhong; Xu, Duanyi

    2006-06-10

    A high-density DVD (HD-DVD) is one of the high-density optical storage technology newly designed to meet the demands of high-definition video broadcasting that is very sensitive to the radial tilt of a disk. An analytic model based on diffraction theory is presented in detail to calculate the tracking error signal of a HD-DVD read-only disk driver by using the differential-phase-detection (DPD) method when radial tilt of a disk occurs. The effects of the tilt on a DPD signal in a HD-DVD read-only disk driver are quantified and compared to those in a DVD read-only disk driver. Experimental measurements for the DPD signal under different radial tilt angles in a HD-DVD read-only disk driver are also reported.

  20. Gaussian-inspired auxiliary non-equilibrium thermostat (GIANT) for Dissipative Particle Dynamics simulations

    NASA Astrophysics Data System (ADS)

    Jamali, Safa; Boromand, Arman; Khani, Shaghayegh; Maia, Joao

    2015-12-01

    We present in this letter an auxiliary thermostat for non-equilibrium simulations in Dissipative Particle Dynamics based on the Gaussian distribution of particle velocities in the fluid. We demonstrate the ability of the thermostat to maintain the temperature under a wide range of shear rates and dissipative parameters, and to extend the shear rate window accessible by DPD significantly. The effect of proposed method on the viscosity of a DPD fluid is studied which is particularly of interest when the rheological behavior of a complex fluids is subject of DPD simulations. Furthermore, performance of the proposed method is compared to the ones from the well-known Lowe-Andersen scheme in regards to temperature and viscosity measurements.

  1. Maladaptive variants of conscientiousness and agreeableness.

    PubMed

    Samuel, Douglas B; Gore, Whitney L

    2012-12-01

    Although reasonably strong support has been obtained for the Five-Factor Model's (FFM) ability to account for the existing personality disorder (PD) constructs, the support for obsessive-compulsive PD (OCPD) and dependent PD (DPD) has been relatively less consistent. Specifically, the expected correlation between OCPD and the FFM trait of Conscientiousness has varied in magnitude across studies while DPD has, at times, also evinced rather weak relationships with FFM Agreeableness. We determined that these inconsistencies were due primarily to the reliance on FFM measures that lack adequate fidelity to assess the maladaptive aspects of high Conscientiousness and Agreeableness. When alternative measures were utilized, the correlations were generally large and in line with expectations. We conclude that OCPD and DPD can be fruitfully conceptualized within the FFM but encourage the use of measures that provide a comprehensive assessment of both the adaptive and maladaptive aspects of the FFM traits.

  2. Mesoscopic simulation of a thinning liquid bridge using the dissipative particle dynamics method

    NASA Astrophysics Data System (ADS)

    Mo, Chao-jie; Yang, Li-jun; Zhao, Fei; Cui, Kun-da

    2015-08-01

    In this research, the dissipative particle dynamics method was used to investigate the problem of thinning and breakup in a liquid bridge. It was found that both the inertial-force-dominated thinning process and the thermal-fluctuation-dominated thinning process can be reproduced with the dissipative particle dynamics (DPD) method by varying the simulation parameters. A highly suspect viscous thinning regime was also found, but the conclusion is not irrefutable because of the complication of the shear viscosity of DPD fluid. We show in this article that the DPD method can serve as a good candidate to elucidate crossover problem in liquid bridge thinning from being hydrodynamics dominated to being thermal fluctuation dominated.

  3. Consistent scaling of thermal fluctuations in smoothed dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Vázquez-Quesada, Adolfo; Ellero, Marco; Español, Pep

    2009-01-01

    Dissipative particle dynamics (DPD) as a model of fluid particles suffers from the problem that it has no physical scale associated with the particles. Therefore, a DPD simulation requires an ambiguous fine-tuning of the model parameters with the physical parameters. A corrected version of DPD that does not suffer from this problem is smoothed dissipative particle dynamics (SDPD) [P. Español and M. Revenga, Phys. Rev. E 67, 026705 (2003)]. SDPD is, in fact, a version of the well-known smoothed particle hydrodynamics method, albeit with the proper inclusion of thermal fluctuations. Here, we show that SDPD produces the proper scaling of the fluctuations as the resolution of the simulation is varied. This is investigated in two problems: the Brownian motion of a spherical colloidal particle and a polymer molecule in suspension.

  4. Dissipative particle dynamics simulation of flow generated by two rotating concentric cylinders: II. Lateral dissipative and random forces

    NASA Astrophysics Data System (ADS)

    Filipovic, N.; Haber, S.; Kojic, M.; Tsuda, A.

    2008-02-01

    Traditional DPD methods address dissipative and random forces exerted along the line connecting neighbouring particles. Espanol (1998 Phys. Rev. E 57 2930-48) suggested adding dissipative and random force components in a direction perpendicular to this line. This paper focuses on the advantages and disadvantages of such an addition as compared with the traditional DPD method. Our benchmark system comprises fluid initially at rest occupying the space between two concentric cylinders rotating with various angular velocities. The effect of the lateral force components on the time evolution of the simulated velocity profile was also compared with that of the known analytical solution. The results show that (i) the solution accuracy at steady state has improved and the error has been reduced by at least 30% (in one case by 75%), (ii) the DPD time to reach steady state has been halved, (iii) the CPU time has increased by only 30%, and (iv) no significant differences exist in density and temperature distributions.

  5. Consistent scaling of thermal fluctuations in smoothed dissipative particle dynamics.

    PubMed

    Vázquez-Quesada, Adolfo; Ellero, Marco; Español, Pep

    2009-01-21

    Dissipative particle dynamics (DPD) as a model of fluid particles suffers from the problem that it has no physical scale associated with the particles. Therefore, a DPD simulation requires an ambiguous fine-tuning of the model parameters with the physical parameters. A corrected version of DPD that does not suffer from this problem is smoothed dissipative particle dynamics (SDPD) [P. Espanol and M. Revenga, Phys. Rev. E 67, 026705 (2003)]. SDPD is, in fact, a version of the well-known smoothed particle hydrodynamics method, albeit with the proper inclusion of thermal fluctuations. Here, we show that SDPD produces the proper scaling of the fluctuations as the resolution of the simulation is varied. This is investigated in two problems: the Brownian motion of a spherical colloidal particle and a polymer molecule in suspension.

  6. Simulating the frontal instability of lock-exchange density currents with dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Li, Yanggui; Geng, Xingguo; Wang, Heping; Zhuang, Xin; Ouyang, Jie

    2016-06-01

    The frontal instability of lock-exchange density currents is numerically investigated using dissipative particle dynamics (DPD) at the mesoscopic particle level. For modeling two-phase flow, the “color” repulsion model is adopted to describe binary fluids according to Rothman-Keller method. The present DPD simulation can reproduce the flow phenomena of lock-exchange density currents, including the lobe-and-cleft instability that appears at the head, as well as the formation of coherent billow structures at the interface behind the head due to the growth of Kelvin-Helmholtz instability. Furthermore, through the DPD simulation, some small-scale characteristics can be observed, which are difficult to be captured in macroscopic simulation and experiment.

  7. Structural and dynamic characterization of ultrafine fibers based on the poly-3-hydroxybutyrate-dipyridamole system

    NASA Astrophysics Data System (ADS)

    Olkhov, A. A.; Karpova, S. G.; Staroverova, O. V.; Krutikova, A. A.; Orlov, N. A.; Kucherenko, E. L.; Iordanskii, A. L.

    2016-11-01

    The fibrous materials (the mats) based on poly-3-hydroxybutyrate (PHB) containing the drug, dipiridomole (DPD) were produced by electrospinning (ES). Thermophysical and dynamical properties of the single filaments and the mats were studied by scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and probe electron paramagnetic resonance spectroscopy (EPR). The effect of annealing temperature on the structure and crystallinity of the fibers was examined. It was shown that the loading of DPD influences on both the melting enthalpy and the morphology of the fibers. Besides the analysis of EPR spectra revealed that there are two populations of spin-probes distributed in the rigid and nonrigid amorphous regions of the PHB fibers respectively. For all fibrous materials with different content of DPD (0-5%) the correlation between thermophysical (DSC) and dynamic data (EPR) was observed.

  8. Dissipative Particle Dynamics Simulations for Phospholipid Membranes Based on a Four-To-One Coarse-Grained Mapping Scheme

    PubMed Central

    Li, Xiaoxu; Gao, Lianghui; Fang, Weihai

    2016-01-01

    In this article, a new set of parameters compatible with the dissipative particle dynamics (DPD) force field is developed for phospholipids. The coarse-grained (CG) models of these molecules are constructed by mapping four heavy atoms and their attached hydrogen atoms to one bead. The beads are divided into types distinguished by charge type, polarizability, and hydrogen-bonding capacity. First, we derive the relationship between the DPD repulsive force and Flory-Huggins χ-parameters based on this four-to-one CG mapping scheme. Then, we optimize the DPD force parameters for phospholipids. The feasibility of this model is demonstrated by simulating the structural and thermodynamic properties of lipid bilayer membranes, including the membrane thickness, the area per lipid, the lipid tail orientation, the bending rigidity, the rupture behavior, and the potential of mean force for lipid flip-flop. PMID:27137463

  9. Particle-layering effect in wall-bounded dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Litvinov, Sergey; Ellero, Marco; Hu, Xiangyu; Adams, Nikolaus A.

    2010-12-01

    Dissipative particle dynamics (DPD) is a mesoscopic simulation method that describes “clusters” of molecules as a single numerical particle. DPD is a very effective method but it introduces numerical artifacts through the coarse-graining procedure, such as particle ordering in the near-wall region. These artifacts can result in nonphysical phenomena during a simulation of a polymer tethered to the wall undergoing shear flow: polymer sticking and overextension for higher shear rates. In this paper we report that a version of DPD with a so-called solidification boundary formulation and conservative-force interactions based on the equation of state allows to reduce number density fluctuations in near-wall region significantly.

  10. Use of the Daily Phone Diary to Study Religiosity and Mood: Convergent Validity.

    PubMed

    Szczesniak, Rhonda D; Zou, Yuanshu; Dimitriou, Sophia M; Quittner, Alexandra L; Grossoehme, Daniel H

    2017-01-01

    Studies of religious/spiritual behavior frequently rely on self-reported questionnaire data, which is susceptible to bias. The Daily Phone Diary (DPD) was developed to minimize bias in reporting activities and behavior across a 24-hour period. A cross-sectional study of 126 parents of children with cystic fibrosis was used to establish the validity of the DPD to study religious/spiritual behaviors. Longitudinal models were used to determine the odds of improved mood during religious/spiritual activities. Convergent validity was found. Participants had increased odds of improved mood during religious/spiritual activities compared to nonreligious/spiritual activities. Associations with gender and religious affiliations were found. The DPD is a valid tool for studying religious/spiritual activities and opens novel avenues for chaplaincy research and the development of chaplaincy interventions incorporating these findings.

  11. Danish Palliative Care Database

    PubMed Central

    Groenvold, Mogens; Adsersen, Mathilde; Hansen, Maiken Bang

    2016-01-01

    Aims The aim of the Danish Palliative Care Database (DPD) is to monitor, evaluate, and improve the clinical quality of specialized palliative care (SPC) (ie, the activity of hospital-based palliative care teams/departments and hospices) in Denmark. Study population The study population is all patients in Denmark referred to and/or in contact with SPC after January 1, 2010. Main variables The main variables in DPD are data about referral for patients admitted and not admitted to SPC, type of the first SPC contact, clinical and sociodemographic factors, multidisciplinary conference, and the patient-reported European Organisation for Research and Treatment of Cancer Quality of Life Questionaire-Core-15-Palliative Care questionnaire, assessing health-related quality of life. The data support the estimation of currently five quality of care indicators, ie, the proportions of 1) referred and eligible patients who were actually admitted to SPC, 2) patients who waited <10 days before admission to SPC, 3) patients who died from cancer and who obtained contact with SPC, 4) patients who were screened with European Organisation for Research and Treatment of Cancer Quality of Life Questionaire-Core-15-Palliative Care at admission to SPC, and 5) patients who were discussed at a multidisciplinary conference. Descriptive data In 2014, all 43 SPC units in Denmark reported their data to DPD, and all 9,434 cancer patients (100%) referred to SPC were registered in DPD. In total, 41,104 unique cancer patients were registered in DPD during the 5 years 2010–2014. Of those registered, 96% had cancer. Conclusion DPD is a national clinical quality database for SPC having clinically relevant variables and high data and patient completeness. PMID:27822111

  12. Gene expression in colorectal cancer and in vitro chemosensitivity to 5-fluorouracil: a study of 88 surgical specimens.

    PubMed

    Yoshinare, Kentaro; Kubota, Tetsuro; Watanabe, Masahiko; Wada, Norihito; Nishibori, Hideki; Hasegawa, Hirotoshi; Kitajima, Masaki; Takechi, Teiji; Fukushima, Masakazu

    2003-07-01

    To predict the sensitivity of colorectal cancer to 5-fluorouracil (5-FU), we compared the gene expression of surgically obtained colorectal cancer specimens with chemosensitivity to 5-FU as detected by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H tetrazolium bromide (MTT) assay. Eighty-eight patients with advanced and/or metastatic colorectal cancer provided written informed consent and entered the trial from September 2000 to October 2001. Fresh surgical specimens were used for the MTT assay, and sensitivity to 5-FU was evaluated at a cutoff concentration of 50 microg/ml and 48-h incubation time. Frozen samples were stored at - 80 degrees C until mRNA analysis of thymidylate synthetase (TS), dihydropyrimidine dehydrogenase (DPD), thymidine phosphorylase (TP), es-nucleoside transporter (NT), and E2F1 by real-time RT-PCR. The correlations between the variables were analyzed, and the predictive value of these mRNAs was assessed statistically using a receiver operating characteristic (ROC) curve. NT and DPD, TP and DPD, and TP and NT mRNA expression levels correlated significantly, while TS and E2F1 showed no correlations. High NT expression was associated with low sensitivity to 5-FU (P < 0.013), as were high DPD and E2F1 expression (P < 0.022 for both). High TP mRNA expression correlated with low sensitivity to 5-FU (P < 0.034), although high TS mRNA expression did not. ROC curves indicated that DPD and NT mRNAs were possible predictors of sensitivity to 5-FU, with cutoff values of 0.6 and 0.4, respectively. The sensitivity of colorectal cancer to 5-FU may be regulated by DPD, the rate-limiting enzyme of catabolism, and NT, an important transmembrane transporter of nucleosides.

  13. Dissipative particle dynamics simulation of contact angle hysteresis on a patterned solid/air composite surface.

    PubMed

    Kong, Bin; Yang, Xiaozhen

    2006-02-28

    We have studied two types of topological substrates--the continuous solid substrates (CSS) and the discontinuous solid substrates (DSS)--by using the dissipative particle dynamics (DPD) method for a better understanding of the contact angle hysteresis on two such substrates. After the validation of DPD in the system, we found that DSS has a different distribution of the metastable states from that of CSS and that DSS has relatively larger contact angle hysteresis at lower temperature. Obtained results also show that CSS is more suitable for making an ultrahydrophobic or ultralyophobic surface than DSS from the point of view of dynamic wettability.

  14. Dissipative particle dynamics simulation on paclitaxel loaded PEO-PPO-PEO block copolymer micelles.

    PubMed

    Wang, Zhigao; Jiang, Jie

    2014-03-01

    Self-assembly behavior of the polymer drug loading micelle PEO-PPO-PEO was studied using dissipative particle dynamics (DPD) simulation method with various simulation steps. The distributions of drugs in polymer carriers were also investigated with different drug feed ratios. Polymer carriers distributed on the surface of the spherical micelle, and drugs were almost encapsulated in the inner of the micelle. Our simulation work demonstrates that the DPD simulation is effective to study the drug loaded systems and can give useful guidance on the design and preparation of new drug carriers with tailored properties.

  15. Tracking and Trapping a Hacker: An Actual Takedown

    DTIC Science & Technology

    2010-04-01

    1 Fi led 06/26/2009 Page 18 of 19 ( DPD ) aviation unit. Detective Bill Cox, a DPD officer working with the. FBJ tn a task force role, c.onfinned that...Report Documentation Page Form ApprovedOMB No. 0704-0188 Public reporting burden for the collection of information is estimated to average 1 hour per...to a penalty for failing to comply with a collection of information if it does not display a currently valid OMB control number. 1 . REPORT DATE APR

  16. Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. II. Supramolecular diblock copolymers

    NASA Astrophysics Data System (ADS)

    Lísal, Martin; Brennan, John K.; Smith, William R.

    2009-03-01

    We present an alternative formulation of the reaction ensemble dissipative particle dynamics (RxDPD) method [M. Lísal, J. K. Brennan, and W. R. Smith, J. Chem. Phys. 125, 16490 (2006)], a mesoscale simulation technique for studying polymer systems in reaction equilibrium. The RxDPD method combines elements of dissipative particle dynamics (DPD) and reaction ensemble Monte Carlo (RxMC), and is primarily targeted for the prediction of the system composition, thermodynamic properties, and phase behavior of reaction equilibrium polymer systems. The alternative formulation of the RxDPD method is demonstrated by considering a supramolecular diblock copolymer (SDC) melt in which two homopolymers, An and Bm, can reversibly bond at terminal binding sites to form a diblock copolymer, AnBm. We consider the effect of the terminal binding sites and the chemical incompatibility between A- and B-segments on the phase behavior. Both effects are found to strongly influence the resulting phase behavior. Due to the reversible nature of the binding, the SDC melt can be treated as the reaction equilibrium system An+Bm⇌AnBm. To simulate the An+Bm⇌AnBm melt, the system contains, in addition to full An, Bm, and AnBm polymers, two fractional polymers: one fractional polymer either fAn or fBm, and one fractional polymer fAnBm, which have fractional particles at the ends of the polymer chains. These fractional particles are coupled to the system via a coupling parameter. The time evolution of the system is governed by the DPD equations of motion, accompanied by random changes in the coupling parameter. Random changes in the coupling parameter mimic forward and reverse reaction steps as in the RxMC approach, and they are accepted with a probability derived from the expanded ensemble grand canonical partition function. Unlike the original RxDPD method that considers coupling of entire fractional polymers to the system, the expanded ensemble framework allows a stepwise coupling, thus

  17. Antioxidant assay using genetically engineered bioluminescent Escherichia coli

    NASA Astrophysics Data System (ADS)

    Bartolome, Amelita; Macalino, Bernadette; Pastoral, Ian Lemuel; Sevilla, Fortunato, III

    2006-02-01

    A new antioxidant activity assay based on the reactive oxygen species (ROS)-inducible bacterial strain (E. coli DPD2511) is described. The strain harbors the plasmid pKatG::luxCDABE and responds to hydrogen peroxide treatment by increasing light emission at 490 nm. Antioxidant capacity is evaluated through the ability of an agent to inhibit the hydrogen peroxide-induced bioluminescence of E. coli DPD2511. Applicability of the developed assay in detecting levels of antioxidants in various aqueous plant extracts is demonstrated. The assay was validated against 2,2-diphenylpicrylhydrazyl (DPPH) assay, a known antioxidant assay.

  18. On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation

    NASA Astrophysics Data System (ADS)

    Sandhu, Paramvir; Zong, Jing; Yang, Delian; Wang, Qiang

    2013-05-01

    To highlight the importance of quantitative and parameter-fitting-free comparisons among different models/methods, we revisited the comparisons made by Groot and Madden [J. Chem. Phys. 108, 8713 (1998), 10.1063/1.476300] and Chen et al. [J. Chem. Phys. 122, 104907 (2005), 10.1063/1.1860351] between their dissipative particle dynamics (DPD) simulations of the DPD model and the self-consistent field (SCF) calculations of the "standard" model done by Matsen and Bates [Macromolecules 29, 1091 (1996), 10.1021/ma951138i] for diblock copolymer (DBC) A-B melts. The small values of the invariant degree of polymerization used in the DPD simulations do not justify the use of the fluctuation theory of Fredrickson and Helfand [J. Chem. Phys. 87, 697 (1987), 10.1063/1.453566] by Groot and Madden, and their fitting between the DPD interaction parameters and the Flory-Huggins χ parameter in the "standard" model also has no rigorous basis. Even with their use of the fluctuation theory and the parameter-fitting, we do not find the "quantitative match" for the order-disorder transition of symmetric DBC claimed by Groot and Madden. For lamellar and cylindrical structures, we find that the system fluctuations/correlations decrease the bulk period and greatly suppress the large depletion of the total segmental density at the A-B interfaces as well as its oscillations in A- and B-domains predicted by our SCF calculations of the DPD model. At all values of the A-block volume fractions in the copolymer f (which are integer multiples of 0.1), our SCF calculations give the same sequence of phase transitions with varying χN as the "standard" model, where N denotes the number of segments on each DBC chain. All phase boundaries, however, are shifted to higher χN due to the finite interaction range in the DPD model, except at f = 0.1 (and 0.9), where χN at the transition between the disordered phase and the spheres arranged on a body-centered cubic lattice is lower due to N = 10 in the DPD

  19. Global skeletal uptake of 99mTc-methylene diphosphonate (GSU) in patients affected by endocrine diseases: comparison with biochemical markers of bone turnover.

    PubMed

    Scillitani, A; Dicembrino, F; Chiodini, I; Minisola, S; Fusilli, S; Di Giorgio, A; Garrubba, M; D'Aloiso, L; Frusciante, V; Torlontano, M; Modoni, S; Trischitta, V; Trischitta, V; Carnevale, V

    2002-10-01

    This study aimed to clinically validate the global skeletal uptake (GSU) of (99m)Tc-methylene diphosphonate ((99m)Tc-MDP), and to compare it with a marker of bone formation (i.e. serum osteocalcin or OC) and an index of bone resorption (i.e. urinary deoxypyridinoline or U-DPD) in different endocrine disorders affecting the skeleton. We studied 29 female patients with thyrotoxicosis (TT), 27 with primary hyperparathyroidism (PHPT), 16 with acromegaly (AC), 15 with Cushing's syndrome (CS), and altogether 110 healthy women matched for age, BMI and menstrual status. In all subjects total body digital scan images (TBDS) were acquired at 5 min and at 4 h after the administration of (99m)Tc-MDP; the whole body retention (WBR) of the tracer was measured by counting two identical sets of rectangular ROIs, and GSU was subsequently calculated by drawing an irregular ROI on 4 h TBDS images. Serum OC was assessed by IRMA and urinary DPD by fluorometric detection after reverse phase high pressure chromatography. In TT patients GSU (40.0 +/- 5.1 vs 36.5 +/- 4.8%), OC (19.1 +/- 11.8 vs 7.1 +/- 2.9 microg/l) and U-DPD (62.4 +/- 42.7 vs 19.5 +/- 5.3 pmol/pmol) were significantly ( p<0.01) higher than in controls. PHPT patients showed GSU (47.2 +/- 6.6 vs 37.8 +/- 5.3%), OC (38.6 +/- 40.9 vs 8.2 +/- 2.5 microg/l), and U-DPD (55.0 +/- 51.3 vs 21.9 +/- 6.1 pmol/pmol) values significantly ( p<0.001) higher than controls. In CS patients, GSU (39.6 +/- 6.4 vs 32.7 +/- 3.5%; p<0.01) and U-DPD (22.8 +/- 8.4 vs 16.5 +/- 2.7 pmol/pmol; p<0.05) were higher, whereas OC (3.6 +/- 2.4 vs 5.2 +/- 1.9 mg/l; p<0,05) was lower than in controls. In AC patients, GSU (34.9 +/- 5.3 vs 35.2 +/- 3.4%) did not differ significantly from controls, whereas OC (16.8 +/- 8.8 vs 6.9 +/- 2.9 microg/l; p<0.001) and U-DPD (30.9 +/- 13.6 vs 21.0 +/- 5.7 pmol/pmol; p<0.01) were higher. Stepwise multivariate linear regression analysis was performed with disease activity, creatinine clearance, age, and years since

  20. Relationship between academic performance, psychological well-being, and coping strategies in medical students.

    PubMed

    Trucchia, Silvina M; Lucchese, Marcela S; Enders, Julio E; Fernández, A Ruth

    2013-01-01

    Introducción: El rendimiento académico es producto del complejo mundo que envuelve al estudiante, determinado por aspectos cotidianos (intensidad de estudio, motivación y medio relacional) que afectan el desempeño académico de los individuos. Otros factores pueden ser psicológicos o emocionales tales como la ansiedad, el grado de bienestar psicológico y las estrategias conductuales tendientes a lograr una adaptación efectiva a las demandas concretas del ambiente y al estrés emocional asociado. Objetivos: En esta investigación se propuso identificar el nivel de bienestar psicológico y las estrategias de afrontamiento en los estudiantes del Ciclo Básico de la Carrera de Medicina y analizar la relación entre bienestar, afrontamiento y rendimiento académico. Material y método: Es un estudio observacional el cual se trabajó a partir del “Cuestionario Determinantes relacionados con el rendimiento académico” implementado a 374 alumnos. El análisis de los datos se efectuó a través del procesamiento estadístico con análisis bivariado (p<0,05) y análisis factorial de correspondencia múltiple. Resultados: Los alumnos con “Rendimiento MB/B” presentan altos niveles de satisfacción y bienestar utilizando un afrontamiento directo que contribuye a “enfrentar las situaciones que preocupan” mediante la “solución de problemas”. En tanto que los alumnos con “Rendimiento R/I” perciben “disgusto con la mayoría de los aspectos de su personalidad” sintiéndose impedidos para responder satisfactoriamente a las demandas del ambiente, asumiendo “comportamientos de evitación” como forma de afrontamiento. Conclusiones: El rendimiento académico de los estudiantes se asocia con la presencia de bienestar psicológico, satisfacción con respecto a los logros alcanzados y el afrontamiento de situaciones estresoras.

  1. UNDERNUTRITION, SERUM VITAMIN B12, FOLIC ACID AND DEPRESSIVE SYMPTOMS IN OLDER ADULTS.

    PubMed

    Brito Noronha, Mafalda; Almeida Cunha, Nathalie; Agra Araújo, Daniela; Flamínio Abrunhosa, Sofia; Nunes Rocha, Ada; Freitas Amaral, Teresa

    2015-07-01

    Antecedentes: la cuestión del posible vínculo entre la desnutrición y los síntomas depresivos, considerando el efecto de las deficiencias de vitamina B12 y de folato, es de importancia práctica porque estas son potencialmente prevenibles y tratables. Este estudio tiene como objetivo evaluar si la desnutrición está relacionada con los síntomas depresivos, teniendo en cuenta el efecto de los niveles plasmáticos de vitamina B12 y de folato. Método: un estudio transversal se llevó a cabo en una muestra de 84 adultos mayores que viven en hogares de cuidado. Se obtuvieron datos sobre el estado nutricional utilizando Mini-Nutritional Assessment, los niveles séricos de ácido fólico y vitamina B12, la capacidad cognitiva, la dependencia funcional, y/o los síntomas de comportamiento depresivo. Los síntomas de depresión se midieron utilizando la versión de 20 ítems de la Escala de Depresión del Centro de Estudios Epidemiológicos. Resultados: cincuenta y tres adultos mayores estaban en riesgo de depresión (63,1%). De ellos, el 34% estaban en riesgo de desnutrición. Aunque se encontró una alta frecuencia de adultos mayores con bajos niveles plasmáticos de vitamina B12 (42,9%) y niveles más bajos de ácido fólico (5,9%), no se encontraron diferencias significativas en relación con la existencia de síntomas depresivos. En el análisis multivariable se observó un aumento en el riesgo de depresión entre los participantes con riesgo nutricional OR = 3,47 (1,05 a 11,46), mientras tener bajos niveles de ácido fólico y vitamina B12 no se asociaron con el riesgo de depresión. Conclusión: entre los adultos mayores desnutridos se observó un aumento en el riesgo de depresión, independientemente del ácido fólico y del estado de la vitamina B12. Estos resultados ponen de manifiesto la necesidad de implementar estrategias preventivas, especialmente dirigidas a los adultos mayores que viven en hogares de cuidado.

  2. A Baseline Study of Strategies to Promote Critical Thinking in the Preschool Classroom (Un Estudio de Base sobre Estrategias para la Promoción de Pensamiento Critico en las Aulas de Preescolar)

    ERIC Educational Resources Information Center

    León, Jenny Melo

    2015-01-01

    The purpose of this study was to identify the different incidents of critical thinking in five preschool classrooms in one school, and the instructional strategies preschool teachers employed in the development of children's critical thinking. The participants in this study were five self-contained preschool teachers and their corresponding…

  3. Iranian EFL and Indian ESL College Students' Beliefs about Reading Strategies in L2 (Creencias de estudiantes universitarios iraníes EFL e hindúes ESL acerca de las estrategias de lectura en L2)

    ERIC Educational Resources Information Center

    Karbalaei, Alireza

    2010-01-01

    The notion of "learner beliefs" has garnered much attention in the field of second language acquisition. Although different studies have been conducted to study learners' beliefs about language learning, little research has looked into the issue of L2 readers' beliefs and their relations to reading strategies. This study investigated…

  4. Nuevas estrategias de gestión, tratamiento y valorización de los efluentes organicos pecuarios: Experiencias en USDA. (Management strategies for organic livestock effluents,innovative treatment and valorization)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    En la actualidad el impacto potencial de los residuos ganaderos en el medio-ambiente representa uno de los desafíos más grandes de la agricultura. Las tecnologías de tratamiento pueden tener un importante papel en el manejo de los residuos ganaderos dando más flexibilidad en los programas de la apli...

  5. Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulations.

    PubMed

    Passler, Peter P; Hofer, Thomas S

    2017-02-15

    Stochastic dynamics is a widely employed strategy to achieve local thermostatization in molecular dynamics simulation studies; however, it suffers from an inherent violation of momentum conservation. Although this short-coming has little impact on structural and short-time dynamic properties, it can be shown that dynamics in the long-time limit such as diffusion is strongly dependent on the respective thermostat setting. Application of the methodically similar dissipative particle dynamics (DPD) provides a simple, effective strategy to ensure the advantages of local, stochastic thermostatization while at the same time the linear momentum of the system remains conserved. In this work, the key parameters to employ the DPD thermostats in the framework of periodic boundary conditions are investigated, in particular the dependence of the system properties on the size of the DPD-region as well as the treatment of forces near the cutoff. Structural and dynamical data for light and heavy water as well as a Lennard-Jones fluid have been compared to simulations executed via stochastic dynamics as well as via use of the widely employed Nose-Hoover chain and Berendsen thermostats. It is demonstrated that a small size of the DPD region is sufficient to achieve local thermalization, while at the same time artifacts in the self-diffusion characteristic for stochastic dynamics are eliminated. © 2016 Wiley Periodicals, Inc.

  6. Douglas-fir displays a range of growth responses to temperature, water, and Swiss needle cast in western Oregon, USA

    EPA Science Inventory

    Douglas-fir (Pseudotsuga menziesii var. menziesii (Mirb.) Franco) growth in the Pacific Northwest is affected by climatic, edaphic factors and Swiss needle cast (SNC) disease. We examine Douglas-fir growth responses to temperature, dewpoint deficit (DPD), soil moisture, and SNC ...

  7. Dissipative particle dynamics with an effective pair potential from integral equation theory of molecular liquids.

    PubMed

    Kobryn, Alexander E; Nikolić, Dragan; Lyubimova, Olga; Gusarov, Sergey; Kovalenko, Andriy

    2014-10-16

    We present a method of DPD simulation based on a coarse-grained effective pair potential obtained from the DRISM-KH molecular theory of solvation. The theory is first used to calculate the radial distribution functions of all-atom solute monomers in all-atom solvent and then to invert them into an effective pair potential between coarse-grained beads such that their fluid without solvent accounts for molecular specificities and solvation effects in the all-atom system. Bonded interactions are sampled in relatively short MD of the all-atom system and modeled with best multi-Gaussian fit. Replacing the heuristically defined conservative force potential in DPD, the coarse-grained effective pair potential is free from the artificial restrictions on potential range and shape and on equal volume of solute and solvent blobs inherent in standard DPD. The procedure is flexible in specifying coarse-grained mapping and enormously increases computational efficiency by eliminating solvent. The method is validated on polystyrene chains of various length in toluene at finite concentrations for room and polystyrene glass transition temperature. It yields the chain elastic properties and diffusion coefficient in good agreement with experiment and all-atom MD simulations. DPD with coarse-grained effective pair potential is capable of predicting both structural and dynamic properties of polymer solutions and soft matter with high accuracy and computational efficiency.

  8. Method with high-throughput screening potential for antioxidative substances using Escherichia coli biosensor katG'::lux.

    PubMed

    Tienaho, Jenni; Sarjala, Tytti; Franzén, Robert; Karp, Matti

    2015-11-01

    A new method is described for the rapid real-time screening of antioxidative properties using a recombinant Escherichia coli DPD2511 biosensor. This microplate technique, without time-consuming pre-incubations and handling, has potential for a high-throughput search of bioactive compounds. Special emphasis was given to obtaining highly reliable and repeatable results.

  9. Assessment of dependency by the FFDI: Comparisons to the PID-5 and maladaptive agreeableness.

    PubMed

    Gore, Whitney L; Widiger, Thomas A

    2015-11-01

    The present study explores the validity of the Five Factor Dependency Inventory (FFDI), a measure of dependent personality traits from the perspective of the five factor model, examined across three separate samples and two studies. The first study examined the FFDI with respect to the traits assigned to assess dependent personality disorder (DPD) by the DSM-5 work group, two measures of DSM-IV-TR DPD and three measures of dependent traits, sampling 184 Mechanical Turk participants and 83 students (the latter oversampled for DPD features). Based on responses from an additional 137 students, the second study investigated the role of maladaptive agreeableness in dependency by examining the FFDI in relation to the interpersonal circumplex using three alternative measures. Discriminant validity was provided with respect to DSM-5 traits and the interpersonal circumplex. Incremental validity was provided with respect to the ability of the FFDI to account for variance within DPD measures beyond the variance explained by DSM-5 traits. Implications for the assessment of dependency and the proposed DSM-5 dimensional trait model are discussed.

  10. Dissipative particle dynamics for systems with high density of charges: Implementation of electrostatic interactions

    NASA Astrophysics Data System (ADS)

    Gavrilov, A. A.; Chertovich, A. V.; Kramarenko, E. Yu.

    2016-11-01

    In this work, we study the question of how to introduce electrostatic interactions in dissipative particle dynamics (DPD) method in order to correctly reproduce the properties of systems with high density of charges, including those with inhomogeneous charge distribution. To this end, we formulate general requirements for the electrostatic force in DPD and propose a new functional form of the force which suits better for satisfying these requirements than the previously used ones. In order to verify the proposed model, we study the problem of a single polyelectrolyte chain collapse and compare the results with molecular dynamics (MD) simulations in which the exact Coulomb force is used. We show that an excellent quantitative agreement between MD and DPD models is observed if the length parameter D of the proposed electrostatic force is chosen properly; the recommendations concerning the choice of this parameter value are given based on the analysis of a polyelectrolyte chain collapse behavior. Finally, we demonstrate the applicability of DPD with the proposed electrostatic force to studying microphase separation phenomenon in polyelectrolyte melts and show that the same values of D as in the case of single chain collapse should be used, thus indicating universality of the model. Due to the charge correlation attraction, a long-range order in such melts can be observed even at zero Flory-Huggins parameter.

  11. On the connection between dissipative particle dynamics and the Itô-Stratonovich dilemma

    NASA Astrophysics Data System (ADS)

    Farago, Oded; Grønbech-Jensen, Niels

    2016-02-01

    Dissipative Particle Dynamics (DPD) is a popular simulation model for investigating hydrodynamic behavior of systems with non-negligible equilibrium thermal fluctuations. DPD employs soft core repulsive interactions between the system particles, thus allowing them to overlap. This supposedly permits relatively large integration time steps, which is an important feature for simulations on large temporal scales. In practice, however, an increase in the integration time step leads to increasingly larger systematic errors in the sampling statistics. Here, we demonstrate that the prime origin of these systematic errors is the multiplicative nature of the thermal noise term in Langevin's equation, i.e., the fact that it depends on the instantaneous coordinates of the particles. This lead to an ambiguity in the interpretation of the stochastic differential Langevin equation, known as the Itô-Stratonovich dilemma. Based on insights from previous studies of the dilemma, we propose a novel algorithm for DPD simulations exhibiting almost an order of magnitude improvement in accuracy, and nearly twice the efficiency of commonly used DPD Langevin thermostats.

  12. Collaborative Knowledge Building Using the Design Principles Database

    ERIC Educational Resources Information Center

    Kali, Yael

    2006-01-01

    In this study we describe a mechanism for supporting a community of learning scientists who are exploring educational technologies by helping them to share and collaboratively build design knowledge. The Design Principles Database (DPD) is intended to be built and used by this community to provide an infrastructure for participants to publish,…

  13. Coarse-grained explicit solvent simulation of the translational and rotational diffusion of a spherical particle in a polymer solution

    NASA Astrophysics Data System (ADS)

    Pryamitsyn, Victor; Ganesan, Venkat

    We use an extension of DPD model to address the dynamical properties of a colloid particle in an unentangled semi-dilute polymer solution. Solvent and monomers are represented as DPD particles.The colloid particle is represented as a larger DPD particle with the rotational degrees of freedom and tangential component of the dissipative and random DPD interactions with the solvent and monomers. This allows us to model a finite slip length boundary condition at the particle fluid interface and study translational Dt and rotational Dr diffusivities of a spherical particle. For zero polymer concentration our results agree with the Stokes-Einstein (SE) theory. Fore dilute and semi-dilute polymer solutions we have found that polymer dynamic follow the Zimm model in a dilute regime and the Rouse model at high polymer concentration. For particles smaller than the polymer Rg observed Dt is much high than SE prediction for R >Rg SE prediction recovers. We have found that increase of Dr relative to SE is rather correlated to the R/Rg ratio than R/ξ, where ξ is the thickness of a depletion shell around the particle. Dr is very sensitive to the slip length at the particle fluid interface and insensitive to R/Rg.

  14. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    NASA Astrophysics Data System (ADS)

    Moreno, Nicolas; Nunes, Suzana P.; Calo, Victor M.

    2015-11-01

    We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥ 200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥ 20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.

  15. Developing Instructional Leaders: Using Mixed Methods to Explore the Black Box of Planned Change in Principals' Professional Practice

    ERIC Educational Resources Information Center

    Barnes, Carol A.; Camburn, Eric; Sanders, Beth R.; Sebastian, James

    2010-01-01

    Purpose: This study examines learning, and both cognitive and behavioral change among a sample of randomly assigned urban principals, half of whom participated in a sustained, district-based professional development program (DPD). Research Methods: Latent class analyses of daily log data, qualitative typology development, and case studies of…

  16. Depressive Personality Disorder: A Comparison of Three Self-Report Measures

    ERIC Educational Resources Information Center

    Miller, Joshua D.; Tant, Adam; Bagby, R. Michael

    2010-01-01

    Depressive personality disorder (DPD) was included in the appendix of the "Diagnostic and Statistical Manual of Mental Disorders", Fourth Edition ("DSM-IV") for further study. Questions abound regarding this disorder in terms of its distinctiveness from extant diagnostic constructs and clinical significance.This study examines…

  17. Building a Distributed Product Description for the Joint Strike Fighter

    DTIC Science & Technology

    2001-05-15

    Jim Hollenbach Simulation Strategies , Inc. DPD Project Coordinator Building a Distributed Product Description for the Joint Strike Fighter... Strategies , Inc. Performing Organization Report Number Sponsoring/Monitoring Agency Name(s) and Address(es) NDIA (National Defense Industrial...Approved for public release; distribution is unlimited. JSF SBA Strategy for EMD • Fall 2001: Down-select to one Weapon System Contractor, enter

  18. Chlorine Analysis - Wastewater. Training Module 5.125.2.77.

    ERIC Educational Resources Information Center

    Kirkwood Community Coll., Cedar Rapids, IA.

    This document is an instructional module package prepared in objective form for use by an instructor familiar with the laboratory procedures for determining the combined chlorine residual of a wastewater sample. Included are objectives, instructor guides, student handouts, and transparency masters. This module considers the amperometric, DPD,…

  19. 40 CFR 141.74 - Analytical and monitoring requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... part. If approved by the State, residual disinfectant concentrations for free chlorine and combined chlorine also may be measured by using DPD colorimetric test kits. In addition States may approve the use of the ITS free chlorine test strip for the determination of free chlorine. Use of the test strips...

  20. [A case of liver metastasis of rectal cancer demonstrating complete response to 5-FU + Leucovorin + UFT].

    PubMed

    Ishida, Hideyuki; Ohsawa, Tomonori; Takeuchi, Ikuya; Nakada, Hiroshi; Inokuma, Shigehisa; Hoshino, Takanobu; Daijo, Hashimoto

    2002-04-01

    Dihydropyrimidine dehydrogenase (DPD) is a rate-limiting enzyme that metabolizes 5-fluorouracil (5-FU). We report a patient with metachronous liver metastasis from rectal cancer with low expression of DPD, who demonstrated complete response to chemotherapy comprising 5-FU, Leucovorin, and UFT. A 53-year-old man underwent macroscopically curative proctectomy with coloanal anastomosis for lower rectal cancer (Curability B). The DPD level in the primary tumor determined by an enzyme-linked immunosorbent assay was extremely low (10.3 U/mg.protein). Three months postoperatively, 5-FU (333 mg/m2) + Leucovorin (200 mg/m2) therapy (once a week for 3 weeks with a one-week rest interval, repeatedly) was started as an adjuvant therapy. However, computed tomography demonstrated a solitary liver metastasis 3 cm in size 1 month later. Chemotherapy was continued with dose escalation of 5-FU (500 mg/m2) and with oral administration of UFT-E (400 mg/body, daily). Five months later, computed tomography did not detect the liver metastasis, and this finding was maintained for two months (complete response). This case provides evidence that a low expression of DPD in the primary lesion is related to a favorable response of liver metastasis to 5-FU-based systemic chemotherapy.

  1. Antibiotic consumption in Turkish hospitals; a multi-centre point prevalence study.

    PubMed

    Guclu, Ertugrul; Ogutlu, Aziz; Karabay, Oguz; Demirdal, Tuna; Erayman, Ibrahim; Hosoglu, Salih; Turhan, Vedat; Erol, Serpil; Oztoprak, Nefise; Batirel, Ayse; Altay, Fatma Aybala; Kaya, Gulsum; Karahocagil, Mustafa; Sozen, Hamdi; Yildirim, Mustafa; Kocak, Funda; Teker, Bahri

    2017-02-01

    This multi-centre study aimed to determine the antibiotic consumption in Turkish hospitals by point prevalence. Antibiotic consumption of 14 centres was determined using the DDD method. Among hospitalized patients, 44.8% were using antibiotics and the total antibiotic consumption was 674.5 DDD/1000 patient-days (DPD). 189.6 (28%) DPD of the antibiotic consumption was restricted while 484.9 (72%) DPD was unrestricted. Carbapenems (24%) and beta lactam/beta lactamase inhibitors (ampicillin-sulbactam or amoxicillin-clavulanate; 22%) were the most commonly used restricted and unrestricted antibiotics. Antibiotics were most commonly used in intensive care units (1307.7 DPD). Almost half of the hospitalized patients in our hospitals were using at least one antibiotic. Moreover, among these antibiotics, the most commonly used ones were carbapenems, quinolones and cephalosporins, which are known to cause collateral damage. We think that antibiotic resistance, which is seen at considerably high rates in our hospitals, is associated with this level of consumption.

  2. Liquid-liquid equilibria for soft-repulsive particles: improved equation of state and methodology for representing molecules of different sizes and chemistry in dissipative particle dynamics.

    PubMed

    Liyana-Arachchi, Thilanga P; Jamadagni, Sumanth N; Eike, David; Koenig, Peter H; Siepmann, J Ilja

    2015-01-28

    Three developments are presented that significantly expand the applicability of dissipative particle dynamics (DPD) simulations for symmetric and non-symmetric mixtures, where the former contain particles with equal repulsive parameter for self-interactions but a different repulsive parameter for cross-interactions, and the latter contain particles with different repulsive parameters also for the self-interactions. Monte Carlo and molecular dynamics simulations for unary phases covering a wide range of repulsive parameters and of densities for single-bead DPD particles point to deficiencies of the Groot and Warren equation of state (GW-EOS) [J. Chem. Phys. 107, 4423 (1997)]. A revised version, called rGW-EOS, is proposed here that is significantly more accurate over a wider range of parameters/densities. The second development is the generalization of the relationship between the Flory-Huggins χ parameter and the repulsive cross-interaction parameter when the two particles involved have different molecular volumes. The third aspect is an investigation of Gibbs ensemble Monte Carlo simulation protocols, which demonstrates the importance of volume fluctuations and excess volumes of mixing even for equimolar symmetric mixtures of DPD particles. As an illustrative example, the novel DPD methodology is applied to the prediction of the liquid-liquid equilibria for acetic anhydride/(n-hexane or n-octane) binary mixtures.

  3. Functional connectivity comparison of the default mode network in non-depressed Parkinson disease and depressed Parkinson disease

    NASA Astrophysics Data System (ADS)

    Han, Yuan; Li, Rui; Liu, Jiangtao; Yao, Li; Wu, Xia

    2011-03-01

    Examining the spontaneous activity to understand the neural mechanism of brain disorders and establish neuroimaging-based disease-related biomarkers is a focus in recent resting-state functional MRI (fMRI) studies. The present study hypothesized that resting activity in the default mode network (DMN), which was used for characterizing the resting-state human brain might be different in patients with depressed Parkinson disease (dPD) compared with non-depressed Parkinson disease (ndPD) patients. To test the hypothesis, we firstly employed the Group independent component analysis (ICA) approach to isolate the DMN for the two groups by analyzing the resting-state fMRI data from a group of 12 patients with dPD and a group of 12 age-matched ndPD subjects. Between-group comparison of the functional connectivity in the DMN was then performed to examine the impact of depression on the intrinsic activity in PD. We found 1) the core region from the network the medial prefrontal cortex (MPFC) show significant decreased activity in dPD group compared with ndPD group; 2) the activity in MPFC has significant negative correlation with behavioral measure; 3) the resting activity intensity of MPFC is suggested to be a promising biomarker for distinguishing dPD from ndPD.

  4. Modeling of mesoscopic electrokinetic phenomena using charged dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Deng, Mingge; Li, Zhen; Karniadakis, George

    2015-11-01

    In this work, we propose a charged dissipative particle dynamics (cDPD) model for investigation of mesoscopic electrokinetic phenomena. In particular, this particle-based method was designed to simulate micro- or nano- flows which governing by Poisson-Nernst-Planck (PNP) equation coupled with Navier-Stokes (NS) equation. For cDPD simulations of wall-bounded fluid systems, a methodology for imposing correct Dirichlet and Neumann boundary conditions for both PNP and NS equations is developed. To validate the present cDPD model and the corresponding boundary method, we perform cDPD simulations of electrostatic double layer (EDL) in the vicinity of a charged wall, and the results show good agreement with the mean-field theoretical solutions. The capacity density of a parallel plate capacitor in salt solution is also investigated with different salt concentration. Moreover, we utilize the proposed methodology to study the electroosmotic and electroosmotic/pressure-driven flow in a micro-channel. In the last, we simulate the dilute polyelectrolyte solution both in bulk and micro-channel, which show the flexibility and capability of this method in studying complex fluids. This work was sponsored by the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4) supported by DOE.

  5. Investigation of broadband digital predistortion for broadband radio over fiber transmission systems

    NASA Astrophysics Data System (ADS)

    Zhang, Xiupu; Liu, Taijun; Shen, Dongya

    2016-12-01

    In future broadband cloud radio access networks (C-RAN), front-haul transmission systems play a significant role in performance and cost of C-RAN. Broadband and high linearity radio over fiber (RoF) transmission systems are considered a promising solution for the front-haul. Digital linearization is one possible solution for RoF front-haul. In this paper, we investigate RF domain digital predistortion (DPD) linearization for broadband RoF front-haul. The implemented DPD is first investigated in 2.4 GHz WiFi over fiber transmission systems at 36 Mb/s, and more than 8-dB and 5.6-dB improvements of error vector magnitude (EVM) are achieved in back to back (BTB) and after 10 km single mode fiber (SMF) transmission. Further, both WiFi and ultra wide band (UWB) wireless signals are transmitted together, in which the DPD has linearization bandwidth of 2.4 GHz. It is shown that the implemented DPD leads to EVM improvements of 4.5-dB (BTB) and 3.1-dB (10 km SMF) for the WiFi signal, and 4.6-dB (BTB) and 4-dB (10 km SMF) for the broadband UWB signal.

  6. Energy-conserving dissipative particle dynamics with temperature-dependent properties

    SciTech Connect

    Li, Zhen; Tang, Yu-Hang; Lei, Huan; Caswell, Bruce; Karniadakis, George E.

    2014-05-01

    The dynamic properties of fluid, including diffusivity and viscosity, are temperature-dependent and can significantly influence the flow dynamics of mesoscopic non-isothermal systems. To capture the correct temperature-dependence of a fluid, an energy-conserving dissipative particle dynamics (eDPD) model is developed by expressing the weighting terms of the dissipative force and the random force as functions of temperature. The diffusivity and viscosity of liquid water at various temperatures ranging from 273 K to 373 K are used as examples for verifying the proposed model. Simulations of a Poiseuille flow and a steady case of heat conduction for reproducing the Fourier law are carried out to validate the present eDPD formulation and the thermal boundary conditions. Results show that the present eDPD model recovers the standard DPD model when isothermal fluid systems are considered. For non-isothermal fluid systems, the present model can predict the diffusivity and viscosity consistent with available experimental data of liquid water at various temperatures. Moreover, an analytical formula for determining the mesoscopic heat friction is proposed. The validity of the formula is confirmed by reproducing the experimental data for Prandtl number of liquid water at various temperatures. The proposed method is demonstrated in water but it can be readily extended to other liquids. (C) 2014 Elsevier Inc. All rights reserved.

  7. The Lowe-Andersen thermostat as an alternative to the dissipative particle dynamics in the mesoscopic simulation of entangled polymers.

    PubMed

    Khani, Shaghayegh; Yamanoi, Mikio; Maia, Joao

    2013-05-07

    Dissipative Particle Dynamics (DPD) has shown a great potential in studying the dynamics and rheological properties of soft matter; however, it is associated with deficiencies in describing the characteristics of entangled polymer melts. DPD deficiencies are usually correlated to the time integrating method and the unphysical bond crossings due to utilization of soft potentials. One shortcoming of DPD thermostat is the inability to produce real values of Schmidt number for fluids. In order to overcome this, an alternative Lowe-Anderson (LA) method, which successfully stabilizes the temperature, is used in the present work. Additionally, a segmental repulsive potential was introduced to avoid unphysical bond crossings. The performance of the method in simulating polymer systems is discussed by monitoring the static and dynamic characteristics of polymer chains and the results from the LA method are compared to standard DPD simulations. The performance of the model is evaluated on capturing the main shear flow properties of entangled polymer systems. Finally the linear and nonlinear viscoelastic properties of such systems are discussed.

  8. Teaching for Change: The Difference, Power, and Discrimination Model

    ERIC Educational Resources Information Center

    Xing, Jun, Ed.; Li, Judith, Ed.; Roper, Larry D., Ed.; Shaw, Susan M., Ed.

    2006-01-01

    Over the past three decades, American higher education has witnessed a shift in demographics which has created a more diverse student body. However, many university campuses remain unsupportive or even hostile to minority faculty and students. This anthology introduces to readers the Difference, Power, and Discrimination (DPD) Program, a…

  9. Flow in complex domains simulated by Dissipative Particle Dynamics driven by geometry-specific body-forces

    NASA Astrophysics Data System (ADS)

    Yazdani, Alireza; Deng, Mingge; Caswell, Bruce; Karniadakis, George Em

    2016-01-01

    We demonstrate how the quality of simulations by Dissipative Particle Dynamics (DPD) of flows in complex geometries is greatly enhanced when driven by body forces suitably tailored to the geometry. In practice, the body force fields are most conveniently chosen to be the pressure gradient of the corresponding Navier-Stokes (N-S) flow. In the first of three examples, the driving-force required to yield a stagnation-point flow is derived from the pressure field of the potential flow for a lattice of counter-rotating line vortices. Such a lattice contains periodic squares bounded by streamlines with four vortices within them. Hence, the DPD simulation can be performed with periodic boundary conditions to demonstrate the value of a non-uniform driving-force without the need to model real boundaries. The second example is an irregular geometry consisting of a 2D rectangular cavity on one side of an otherwise uniform channel. The Navier-Stokes pressure field for the same geometry is obtained numerically, and its interpolated gradient is then employed as the driving-force for the DPD simulation. Finally, we present a third example, where the proposed method is applied to a complex 3D geometry of an asymmetric constriction. It is shown that in each case the DPD simulations closely reproduce the Navier-Stokes solutions. Convergence rates are found to be much superior to alternative methods; in addition, the range of convergence with respect to Reynolds number and Mach number is greatly extended.

  10. Determination of Free Available Chlorine in Denitrified Wastewater Effluent

    DTIC Science & Technology

    1993-01-01

    of chloramines, particularly monochloramine , on the free available chlorine residual measurements made using the DPD method was significant. The...hypochorous acid, hypochlorite ion, and aqueous chlorine, CI.,q)) and combined chlorine ( monochloramine , dichloramine, and nitrogen trichloride) was not...neutral molecule resembling water in structure, it diffuses across cell membranes quite easily. Chloramines, such as monochloramine , are much weaker

  11. An evaluation of the effect of age and the peri-parturient period on bone metabolism in dairy cows as measured by serum bone-specific alkaline phosphatase activity and urinary deoxypyridinoline concentration.

    PubMed

    Sato, Reiichiro; Onda, Ken; Kato, Hajime; Ochiai, Hideharu; Kawai, Kazuhiro; Iriki, Tsunenori; Kaneko, Kazuyuki; Yamazaki, Yukio; Wada, Yasunori

    2013-08-01

    Various biochemical markers help to evaluate the state of bone turnover in humans and could be used during the peri-parturient period in dairy cows when calcium (Ca) metabolism changes dramatically. To investigate this, the peri-partum characteristics of serum bone-specific alkaline phosphatase (BAP) and urinary deoxypyridinoline (DPD) were investigated. Both serum BAP activity and urinary DPD concentrations were increased and demonstrated wide variability in younger animals, and these findings were consistent with other bone turnover markers. Around the time of parturition, serum Ca concentration and serum BAP activity in multiparous cows were significantly lower than in primiparous cows, but urinary DPD concentration was unchanged. The use of BAP as a bone formation marker appears to be valuable for evaluating bone remodelling status in cows, but the specificity of the test needs to be confirmed. The DPD/BAP ratio around parturition demonstrated a clear difference in bone turnover status between the two parity groups with multiparous cows demonstrating increased signs of bone resorption compared with primiparous cows, corresponding to the Ca requirement for milk production. In future studies, the applicability of the ratio of bone resorption marker to bone formation marker should be evaluated for bone turnover assessment.

  12. Nonsimultaneous chains and dominos in kidney- paired donation-revisited.

    PubMed

    Ashlagi, I; Gilchrist, D S; Roth, A E; Rees, M A

    2011-05-01

    Since 2008, kidney exchange in America has grown in part from the incorporation of nondirected donors in transplant chains rather than simple exchanges. It is controversial whether these chains should be performed simultaneously 'domino-paired donation', (DPD) or nonsimultaneously 'nonsimultaneous extended altruistic donor, chains (NEAD). NEAD chains create 'bridge donors' whose incompatible recipients receive kidneys before the bridge donor donates, and so risk reneging by bridge donors, but offer the opportunity to create more transplants by overcoming logistical barriers inherent in simultaneous chains. Gentry et al. simulated whether DPD or NEAD chains would produce more transplants when chain segment length was limited to three transplants, and reported that DPD performed at least as well as NEAD chains. As this finding contrasts with the experience of several groups involved in kidney-paired donation, we performed simulations that allowed for longer chain segments and used actual patient data from the Alliance for Paired Donation. When chain segments of 4-6 transplants are allowed in the simulations, NEAD chains produce more transplants than DPD. Our simulations showed not only more transplants as chain length increased, but also that NEAD chains produced more transplants for highly sensitized and blood type O recipients.

  13. Dissipative Particle Dynamics simulation of colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Jamali, Safa; Boromand, Arman; Maia, Joao

    2014-03-01

    DPD as a mesoscale method was firstly proposed to study dynamics of suspensions under flow condition. However the proposed method failed to capture shear properties of suspensions because it lacked: first a potential to reproduce lubrication forces and second a clear definition for the colloid surface. Recently we reported a modified DPD method which defines colloidal particles as particles with hard core and a dissipative coat. An additional lubrication force was introduced to include the short-range hydrodynamics that are not captured in original DPD. The model was found to be able to reproduce shear properties of suspensions for a wide range of different systems, from monodisperse to bimodal with different volume fractions, compositions and size ratios. In present work our modified DPD method is employed to study both equilibrium and flow properties of colloidal suspension. Zero shear viscosity of suspension is measured using Green-Kubo expressions and the results are compared to theoretical predictions. Furthermore, structure formation in suspensions is studied in respect to energy landscape of the fluid both at rest and under flow.

  14. INTERVENCIÓN EDUCATIVA EFECTIVA EN VIH PARA MUJERES

    PubMed Central

    Miner, Sarah; Poupin, Lauren; Bernales, Margarita; Ferrer, Lilian; Cianelli, Rosina

    2016-01-01

    RESUMEN En Chile se estima que aproximadamente 38 mil personas viven con el Virus de Inmunodeficiencia Humana [VIH]. En el año 2001, 1.092 mujeres chilenas vivían con VIH, actualmente se cree que hay más de 7.600 mujeres con el virus. Frente a estas cifras surge la necesidad de crear estrategias de prevención dirigidas a mujeres chilenas. Objetivo analizar los estudios ya realizados en la prevención de VIH para determinar qué aspectos se deben incluir en programas exitosos de prevención de VIH en mujeres. Diseño y Método se realizó una revisión de la literatura utilizando la base de datos Proquest, CINAHL, Pubmed y Scielo. Los límites comprendieron: textos completos, de los últimos 10 años, de acceso gratuito y escrito en español o inglés. Se seleccionaron 15 artículos para la revisión. Resultados todos los artículos comprenden la evaluación del efecto de una intervención sobre conocimiento y conductas relacionadas con VIH/SIDA. Catorce muestran resultados significativos en cambios positivos de conducta o conocimientos relacionados con la prevención de VIH. Conclusiones los programas de prevención de VIH en mujeres pueden ser efectivos para lograr cambios de conducta y de conocimiento. Las intervenciones exitosas son aquellas basadas en teorías o modelos de prevención y en cambios de conductas, todas adaptadas a la cultura de la población estudiada. PMID:27667897

  15. A strategy for weight loss based on healthy dietary habits and control of emotional response to food.

    PubMed

    Pontes Torrado, Yolanda; García-Villaraco Velasco, Ana; Hernández Galiot, Ana; Goñi Cambrodón, Isabel

    2015-06-01

    Introducción: el sedentarismo y los hábitos alimentarios poco saludables son las principales causas de un balance energético negativo y un exceso de peso corporal. El estilo de vida del patrón de dieta mediterránea reduce significativamente los factores de riesgo de enfermedades no transmisibles. Por otra parte, las emociones tienen un poderoso efecto en el comportamiento alimentario. Existe una relación directa entre la elección de alimentos, las emociones y el aumento de la ingesta energética. Objetivo: conocer el comportamiento emocional de los individuos para facilitar el establecimiento de pautas dietéticas personalizadas basadas en hábitos alimentarios saludables y aumentar la fidelidad del paciente hasta conseguir el peso deseado. Material y métodos: 99 personas adultas con sobrepeso fueron sometidos a un programa de reducción de peso basado en establecer unos hábitos alimentarios y un estilo de vida saludables. La adhesión al patrón de dieta Mediterránea y el efecto de las emociones en la elección de alimentos se determinaron utilizando los cuestionarios MEDAS (Mediterranean Diet Adherence Screener) y EEQ (Emocional Eater Questionnaire), respectivamente. Resultados: la población estudiada era sedentaria, consumía una dieta poco saludable y su conducta alimentaria era dependiente de las emociones. La mayoría de los participantes (66% mujeres y 71% hombres) fueron clasificados como comedores emocionales. Durante el programa de tratamiento, los participantes modificaron sus hábitos alimentarios y su estilo de vida, consiguiendo reducir el peso corporal en al menos un 10% respecto al peso inicial. Conclusión: conocer la relación entre la ingesta de alimentos y las emociones permite personalizar la estrategia dietética para disminuir el peso corporal y la tasa de abandono.

  16. [Analysis of the cumulative solar ultraviolet radiation in Mexico].

    PubMed

    Castanedo-Cázares, Juan Pablo; Torres-Álvarez, Bertha; Portales-González, Bárbara; Martínez-Rosales, Karla; Hernández-Blanco, Diana

    2016-01-01

    Introducción: La incidencia del cáncer de piel en México se ha incrementado en los últimos años. La radiación UV es el principal factor de riesgo asociado. Debido a la necesidad de desarrollar estrategias para evitarla, el objetivo del estudio fue estimar la intensidad UV en diversas regiones representativas del país, la dosis UV promedio anual de esas poblaciones y el beneficio potencial de la aplicación de un filtro solar a diferentes edades. Métodos: se cuantificó la intensidad de la radiación UV mediante radiometría terrestre y remota. La dosis de exposición UV se midió en dosis mínimas eritematógenas utilizando modelos validados para cara y brazos. El beneficio de realizar fotoprotección se calculó para el uso de un filtro con FPS 15 desde el nacimiento hasta los 70 años. Resultados: la radiación UV es menor en diciembre y máxima de mayo a julio. La localidad con menor dosis anual es Tijuana y la máxima el Distrito Federal. La diferencia anual entre estas regiones es de 58 %. Durante la vida, un filtro solar de baja potencia puede reducir hasta 66 % la dosis recibida. Conclusiones: la localización geográfica es un factor de riesgo para la acumulación de radiación UV en México. Desde la infancia, la población recibe dosis elevadas de radiación UV. La mayoría de esas dosis puede reducirse mediante cualquier filtro solar disponible en el comercio, si es aplicado de forma estratégica.

  17. NUTRITIONAL SUPPORT FOR FULMINANT HEPATITIS.

    PubMed

    Ramos Figueira, Estela Regina; Rocha Filho, Joel Avancini; Souto Nacif, Lucas; Carneiro D'Albuquerque, Luiz; Linetzky Waitzberg, Dan

    2015-12-01

    Introducción: la hepatitis fulminante se asocia a un exacerbado hipercatabolismo, la hipoglicemia y la hiperamonemia están acompañadas por la liberación de citocinas proinflamatorias y hormonas catabólicas en la circulación sistémica, empeorando la condición clínica del paciente. El apoyo nutricional es un elemento crucial para la recuperación de estos pacientes. Objetivos: el objetivo de esta revisión es actualizar el apoyo nutricional para la hepatitis fulminante. Métodos: la revisión se llevó a cabo mediante la búsqueda electrónica en Medline-PubMed, utilizando malla de términos. Resultados y discusión: no hay muchos datos disponibles sobre el apoyo nutricional para lahepatitis fulminante o fallo hepático agudo. Las estrategias de intervención nutricional inicial se centran en el control de los trastornos metabólicos de la hepatitis fulminante descritos anteriormente, que deben ser individualizadas de acuerdo a la gravedad de la situación clínica del paciente. Energía y proteína se pueden proporcionar en cantidades de 25‑40 kcal / kg / día y 0,8-1,2 g / kg / día, respectivamente. La terapia nutricional enteral está indicada en pacientes con encefalopatía avanzada o para aquellos que no pueden ser adecuadamente alimentados por vía oral. Se debe obtener una euglicemia y la ingesta de proteínas puede estar basada en fórmulas de BCAA. Los lípidos se pueden administrar como suplemento energético con precaución. Una terapia nutricional adecuada puede potencialmente reducir la morbilidad y la mortalidad de los pacientes con hepatitis fulminante.

  18. Electrostatics in dissipative particle dynamics using Ewald sums with point charges

    NASA Astrophysics Data System (ADS)

    Terrón-Mejía, Ketzasmin A.; López-Rendón, Roberto; Gama Goicochea, Armando

    2016-10-01

    A proper treatment of electrostatic interactions is crucial for the accurate calculation of forces in computer simulations. Electrostatic interactions are typically modeled using Ewald-based methods, which have become some of the cornerstones upon which many other methods for the numerical computation of electrostatic interactions are based. However, their use with charge distributions rather than point charges requires the inclusion of ansatz for the solutions of the Poisson equation, since there is no exact solution known for smeared out charges. The interest in incorporating electrostatic interactions at the scales of length and time that are relevant for the study the physics of soft condensed matter has increased considerably. Using mesoscale simulation techniques, such as dissipative particle dynamics (DPD), allows us to reach longer time scales in numerical simulations, without abandoning the particulate description of the problem. The main problem with incorporating electrostatics into DPD simulations is that DPD particles are soft and those particles with opposite charge can form artificial clusters of ions. Here we show that one can incorporate the electrostatic interactions through Ewald sums with point charges in DPD if larger values of coarse-graining degree are used, where DPD is truly mesoscopic. Using point charges with larger excluded volume interactions, the artificial formation of ionic pairs with point charges can be avoided and one obtains correct predictions. We establish ranges of parameters useful for detecting boundaries where artificial formation of ionic pairs occurs. Lastly, using point charges we predict the scaling properties of polyelectrolytes in solvents of varying quality, and obtain predictions that are in agreement with calculations that use other methods and with recent experimental results.

  19. A multiple time stepping algorithm for efficient multiscale modeling of platelets flowing in blood plasma

    NASA Astrophysics Data System (ADS)

    Zhang, Peng; Zhang, Na; Deng, Yuefan; Bluestein, Danny

    2015-03-01

    We developed a multiple time-stepping (MTS) algorithm for multiscale modeling of the dynamics of platelets flowing in viscous blood plasma. This MTS algorithm improves considerably the computational efficiency without significant loss of accuracy. This study of the dynamic properties of flowing platelets employs a combination of the dissipative particle dynamics (DPD) and the coarse-grained molecular dynamics (CGMD) methods to describe the dynamic microstructures of deformable platelets in response to extracellular flow-induced stresses. The disparate spatial scales between the two methods are handled by a hybrid force field interface. However, the disparity in temporal scales between the DPD and CGMD that requires time stepping at microseconds and nanoseconds respectively, represents a computational challenge that may become prohibitive. Classical MTS algorithms manage to improve computing efficiency by multi-stepping within DPD or CGMD for up to one order of magnitude of scale differential. In order to handle 3-4 orders of magnitude disparity in the temporal scales between DPD and CGMD, we introduce a new MTS scheme hybridizing DPD and CGMD by utilizing four different time stepping sizes. We advance the fluid system at the largest time step, the fluid-platelet interface at a middle timestep size, and the nonbonded and bonded potentials of the platelet structural system at two smallest timestep sizes. Additionally, we introduce parameters to study the relationship of accuracy versus computational complexities. The numerical experiments demonstrated 3000x reduction in computing time over standard MTS methods for solving the multiscale model. This MTS algorithm establishes a computationally feasible approach for solving a particle-based system at multiple scales for performing efficient multiscale simulations.

  20. A Multiple Time Stepping Algorithm for Efficient Multiscale Modeling of Platelets Flowing in Blood Plasma.

    PubMed

    Zhang, Peng; Zhang, Na; Deng, Yuefan; Bluestein, Danny

    2015-03-01

    We developed a multiple time-stepping (MTS) algorithm for multiscale modeling of the dynamics of platelets flowing in viscous blood plasma. This MTS algorithm improves considerably the computational efficiency without significant loss of accuracy. This study of the dynamic properties of flowing platelets employs a combination of the dissipative particle dynamics (DPD) and the coarse-grained molecular dynamics (CGMD) methods to describe the dynamic microstructures of deformable platelets in response to extracellular flow-induced stresses. The disparate spatial scales between the two methods are handled by a hybrid force field interface. However, the disparity in temporal scales between the DPD and CGMD that requires time stepping at microseconds and nanoseconds respectively, represents a computational challenge that may become prohibitive. Classical MTS algorithms manage to improve computing efficiency by multi-stepping within DPD or CGMD for up to one order of magnitude of scale differential. In order to handle 3-4 orders of magnitude disparity in the temporal scales between DPD and CGMD, we introduce a new MTS scheme hybridizing DPD and CGMD by utilizing four different time stepping sizes. We advance the fluid system at the largest time step, the fluid-platelet interface at a middle timestep size, and the nonbonded and bonded potentials of the platelet structural system at two smallest timestep sizes. Additionally, we introduce parameters to study the relationship of accuracy versus computational complexities. The numerical experiments demonstrated 3000x reduction in computing time over standard MTS methods for solving the multiscale model. This MTS algorithm establishes a computationally feasible approach for solving a particle-based system at multiple scales for performing efficient multiscale simulations.

  1. A Multiple Time Stepping Algorithm for Efficient Multiscale Modeling of Platelets Flowing in Blood Plasma

    PubMed Central

    Zhang, Peng; Zhang, Na; Deng, Yuefan; Bluestein, Danny

    2015-01-01

    We developed a multiple time-stepping (MTS) algorithm for multiscale modeling of the dynamics of platelets flowing in viscous blood plasma. This MTS algorithm improves considerably the computational efficiency without significant loss of accuracy. This study of the dynamic properties of flowing platelets employs a combination of the dissipative particle dynamics (DPD) and the coarse-grained molecular dynamics (CGMD) methods to describe the dynamic microstructures of deformable platelets in response to extracellular flow-induced stresses. The disparate spatial scales between the two methods are handled by a hybrid force field interface. However, the disparity in temporal scales between the DPD and CGMD that requires time stepping at microseconds and nanoseconds respectively, represents a computational challenge that may become prohibitive. Classical MTS algorithms manage to improve computing efficiency by multi-stepping within DPD or CGMD for up to one order of magnitude of scale differential. In order to handle 3–4 orders of magnitude disparity in the temporal scales between DPD and CGMD, we introduce a new MTS scheme hybridizing DPD and CGMD by utilizing four different time stepping sizes. We advance the fluid system at the largest time step, the fluid-platelet interface at a middle timestep size, and the nonbonded and bonded potentials of the platelet structural system at two smallest timestep sizes. Additionally, we introduce parameters to study the relationship of accuracy versus computational complexities. The numerical experiments demonstrated 3000x reduction in computing time over standard MTS methods for solving the multiscale model. This MTS algorithm establishes a computationally feasible approach for solving a particle-based system at multiple scales for performing efficient multiscale simulations. PMID:25641983

  2. Comparative analysis of Debrecen sunspot catalogues

    NASA Astrophysics Data System (ADS)

    Győri, L.; Ludmány, A.; Baranyi, T.

    2017-02-01

    Sunspot area data are important for studying solar activity and its long-term variations. At the Debrecen Heliophysical Observatory, we compiled three sunspot catalogues: the Debrecen Photoheliographic Data (DPD), the SDO/HMI Debrecen Data (HMIDD) and the SOHO/MDI Debrecen Data. For comparison, we also compiled an additional sunspot catalogue, the Greenwich Photoheliographic Data, from the digitized Royal Greenwich Observatory images for 1974-76. By comparing these catalogues when they overlap in time, we can investigate how various factors influence the measured area of sunspots, and, in addition, we can derive area cross-calibration factors for these catalogues. The main findings are as follows. Poorer seeing increases the individual corrected spot areas and decreases the number of small spots. Interestingly, the net result of these two effects for the total corrected spot area is zero. DPD daily total corrected sunspot areas are 5 per cent smaller than the HMIDD ones. Revised DPD daily total corrected umbra areas are 9 per cent smaller than those of HMIDD. The Greenwich photoheliographic areas are only a few per cent smaller than DPD areas. A 0.2° difference between the north directions of the DPD and MDI images is found. This value is nearly the same as was found (0.22°) by us in a previous paper comparing HMI and MDI images. The area measurement practice (spots smaller than 10 mh were not directly measured but an area of 2 mh was assigned to each) of the Solar Observing Optical Network cannot explain the large area deficit of the Solar Observing Optical Network.

  3. Interoceptive–reflective regions differentiate alexithymia traits in depersonalization disorder

    PubMed Central

    Lemche, Erwin; Brammer, Michael J.; David, Anthony S.; Surguladze, Simon A.; Phillips, Mary L.; Sierra, Mauricio; Williams, Steven C.R.; Giampietro, Vincent P.

    2013-01-01

    It is unclear to what degree depersonalization disorder (DPD) and alexithymia share abnormal brain mechanisms of emotional dysregulation. We compared cerebral processing of facial expressions of emotion in individuals with DPD to normal controls (NC). We presented happy and sad emotion expressions in increasing intensities from neutral (0%) through mild (50%) to intense (100%) to DPD and non-referred NC subjects in an implicit event-related fMRI design, and correlated respective brain activations with responses on the 20-item Toronto Alexithymia Scale (TAS-20) and its three subscales F1-F3. The TAS-20 predicts clinical diagnosis of DPD with a unique variance proportion of 38%. Differential regression analysis was utilized to ascertain brain regions for each alexithymia subscale. Differential regions of total alexithymia severity for happy emotion were the globus pallidus externus; for identifying feelings (TAS-20 F1 subscale), the right anterior insula; for description of feelings (F2), the right dorsal mid-anterior cingulate gyrus (BA 24); and for externally oriented cognitive style (F3), the left paracingulate gyrus (BA 32). For sad emotion, the differential region for the total TAS-20 score was the dorsal anterior cingulate gyrus (BA 24); for TAS-20 F1, the left inferior anterior insula; for TAS-20 F2, the right PCC (BA 31); and for TAS-20 F3, the right orbital gyrus (BA 10). Supporting our hypotheses, the ascertained brain regions for TAS-20 subscales subserve interoception, monitoring and reflection of internal states and emotion. The presented analyses provide evidence that alexithymia plays a substantial role in emotional dysregulation in DPD, presumably based on restrictions in interoception. PMID:23932225

  4. Noninvasive markers of bone metabolism in the rhesus monkey: normal effects of age and gender

    NASA Technical Reports Server (NTRS)

    Cahoon, S.; Boden, S. D.; Gould, K. G.; Vailas, A. C.

    1996-01-01

    Measurement of bone turnover in conditions such as osteoporosis has been limited by the need for invasive iliac bone biopsy to reliably determine parameters of bone metabolism. Recent advances in the area of serum and urinary markers of bone metabolism have raised the possibility for noninvasive measurements; however, little nonhuman primate data exist for these parameters. The purpose of this experiment was to define the normal range and variability of several of the newer noninvasive bone markers which are currently under investigation in humans. The primary intent was to determine age and gender variability, as well as provide some normative data for future experiments in nonhuman primates. Twenty-four rhesus macaques were divided into equal groups of male and female according to the following age groupings: 3 years, 5-10 years, 15-20 years, and > 25 years. Urine was collected three times daily for a four-day period and measured for several markers of bone turnoverm including pyridinoline (PYD), deoxypyrodinoline (DPD), hydroxyproline, and creatinine. Bone mineral density measurements of the lumbar spine were performed at the beginning and end of the study period. Serum was also obtained at the time of bone densitometry for measurement of osteocalcin levels by radioimmunoassay. There were no significant differences in bone mineral density, urine PYD, or urine DPD based on gender. Bone density was lowest in the youngest animals, peaked in the 15-20-year group, but again decreased in the oldest animals. The osteocalcin, PYD, and DPD levels followed an inversely related pattern to bone density. The most important result was the relative age insensitivity of the ratio of PYD:DPD in monkeys up to age 20 years. Since bone density changes take months or years to become measurable and iliac biopsies are invasive, the PYD/DPD marker ratio may have important implications for rapid noninvasive measurement of the effects of potential treatments for osteoporosis in the non

  5. Testing a Neurobiological Model of Depersonalization Disorder Using Repetitive Transcranial Magnetic Stimulation☆

    PubMed Central

    Jay, Emma-Louise; Sierra, Mauricio; Van den Eynde, Frederique; Rothwell, John C.; David, Anthony S.

    2014-01-01

    Background Depersonalization disorder (DPD) includes changes in subjective experiencing of self, encompassing emotional numbing. Functional magnetic resonance imaging (fMRI) has pointed to ventrolateral prefrontal cortex (VLPFC) inhibition of insula as a neurocognitive correlate of the disorder. Objective We hypothesized that inhibition to right VLPFC using repetitive transcranial magnetic stimulation (rTMS) would lead to increased arousal and reduced symptoms. Methods Patients with medication-resistant DSM-IV DPD (N = 17) and controls (N = 20) were randomized to receive one session of right-sided rTMS to VLPFC or temporo-parietal junction (TPJ). 1Hz rTMS was guided using neuronavigation and delivered for 15 min. Co-primary outcomes were: (a) maximum skin conductance capacity, and (b) reduction in depersonalization symptoms (Cambridge Depersonalisation Scale (CDS) [state version]). Secondary outcomes included spontaneous fluctuations (SFs) and event-related skin conductance responses. Results In patients with DPD, rTMS to VLPFC led to increased electrodermal capacity, namely maximum skin conductance deflections. Patients but not controls also showed increased SFs post rTMS. Patients who had either VLPFC or TPJ rTMS showed a similar significant reduction in symptoms. Event-related electrodermal activity did not change. Conclusions A single session of right-sided rTMS to VLPFC (but not TPJ) significantly increased physiological arousal capacity supporting our model regarding the relevance of increased VLPFC activity to emotional numbing in DPD. rTMS to both sites led to reduced depersonalization scores but since this was independent of physiological arousal, this may be a non-specific effect. TMS is a potential therapeutic option for DPD; modulation of VLPFC, if replicated, is a plausible mechanism. PMID:24439959

  6. Homogenization of global radiosonde humidity data

    NASA Astrophysics Data System (ADS)

    Blaschek, Michael; Haimberger, Leopold

    2016-04-01

    The global radiosonde network is an important source of upper-air measurements and is strongly connected to reanalysis efforts of the 20th century. However, measurements are strongly affected by changes in the observing system and require a homogenization before they can be considered useful in climate studies. In particular humidity measurements are known to show spurious trends and biases induced by many sources, e.g. reporting practices or freezing of the sensor. We propose to detect and correct these biases in an automated way, as has been done with temperature and winds. We detect breakpoints in dew point depression (DPD) time series by employing a standard normal homogeneity test (SNHT) on DPD-departures from ERA-Interim. In a next step, we calculate quantile departures between the latter and the earlier part near the breakpoints of the time series, going back in time. These departures adjust the earlier distribution of DPD to the latter distribution, called quantile matching, thus removing for example a non climatic shift. We employ this approach to the existing radiosonde network. In a first step to verify our approach we compare our results with ERA-Interim data and brightness temperatures of humidity-sensitive channels of microwave measuring radiometers (SSMIS) onboard DMSP F16. The results show that some of the biases can be detected and corrected in an automated way, however large biases that impact the distribution of DPD values originating from known reporting practices (e.g. 30 DPD on US stations) remain. These biases can be removed but not corrected. The comparison of brightness temperatures from satellite and radiosondes proofs to be difficult as large differences result from for example representative errors.

  7. Accelerated bone turnover identifies hemiplegic patients at higher risk of demineralization.

    PubMed

    Del Puente, A; Pappone, N; Servodio Iammarrone, C; Esposito, A; Scarpa, R; Costa, L; Caso, F; Bardoscia, A; Del Puente, A

    2016-01-01

    Immobilization osteoporosis represents a severe complication in hemiplegic patients (HPs), causing fragility fractures, which may occur during rehabilitation reducing functional recovery and survival. The aim of the study was to investigate determinants of bone loss, independent from length of immobilization, which may be useful in early identification of HPs at higher risk of demineralization. Forty-eight HPs of both sexes underwent anthropometric measurements, evaluation of scores of spasticity and of lower limb motory capacity. Laboratory tests were performed. On serum: calcium; phosphorus; creatinine; ALP; iPTH; 25(OH) vitamin-D; sex hormones; Δ4-androstenedione; DHEA-S; insulin; IGF-1; FT3; FT4; TSH; c-AMP. On urine: c-AMP and calcium/creatinine ratio. Two bone turnover markers were measured: serum osteocalcin (BGP) and urinary deoxypyridinoline (DPD). Bone mineral density was determined at both femoral necks, defining a percentage difference in bone loss between paretic and non-paretic limb, thus controlling for the complex cofactors involved. Only bone turnover markers significantly and directly correlated with the entity of demineralization, controlling for age, sex and length of immobilization in the multivariate analysis (BGP coefficient estimate=0.008; SE=0.003; p=0.020; DPD coefficient estimate=0.005; SE=0.002; p=0.036). BGP and DPD are not dependent on anthropometric and endocrine-metabolic parameters, disability patterns and duration of immobilization, thus represent independent determinants of the degree of demineralization. A cutoff was defined for BGP and DPD above which subjects show significantly greater risk of demineralization. The immobilization event generates more severe bone loss when it occurs in subjects with higher bone turnover. BGP and DPD measurements may be of primary importance for early identification of HPs at risk, with relevant preventive implications.

  8. Dissipative particle dynamics study of translational diffusion of rigid-chain rodlike polymer in nematic phase

    NASA Astrophysics Data System (ADS)

    Zhao, Tongyang; Wang, Xiaogong

    2013-09-01

    In this study, dissipative particle dynamics (DPD) method was employed to investigate the translational diffusion of rodlike polymer in its nematic phase. The polymer chain was modeled by a rigid rod composed of consecutive DPD particles and solvent was represented by independent DPD particles. To fully understand the translational motion of the rods in the anisotropic phase, four diffusion coefficients, D_{||}u, D_ bot u, D_{||}n, D_ bot n were obtained from the DPD simulation. By definition, D_{||}n and D_ bot n denote the diffusion coefficients parallel and perpendicular to the nematic director, while D_{||}u and D_ bot u denote the diffusion coefficients parallel and perpendicular to the long axis of a rigid rod u. In the simulation, the velocity auto-correlation functions were used to calculate the corresponding diffusion coefficients from the simulated velocity of the rods. Simulation results show that the variation of orientational order caused by concentration and temperature changes has substantial influences on D_{||}u and D_ bot u. In the nematic phase, the changes of concentration and temperature will result in a change of local environment of rods, which directly influence D_{||}u and D_ bot u. Both D_{||}n and D_ bot n can be represented as averages of D_{||}u and D_ bot u, and the weighted factors are functions of the orientational order parameter S2. The effect of concentration and temperature on D_{||}n and D_ bot n demonstrated by the DPD simulation can be rationally interpreted by considering their influences on D_{||}u, D_ bot u and the order parameter S2.

  9. A simple analytical procedure to replace HPLC for monitoring treatment concentrations of chloramine-T on fish culture facilities

    USGS Publications Warehouse

    Dawson, Verdel K.; Meinertz, Jeffery R.; Schmidt, Larry J.; Gingerich, William H.

    2003-01-01

    Concentrations of chloramine-T must be monitored during experimental treatments of fish when studying the effectiveness of the drug for controlling bacterial gill disease. A surrogate analytical method for analysis of chloramine-T to replace the existing high-performance liquid chromatography (HPLC) method is described. A surrogate method was needed because the existing HPLC method is expensive, requires a specialist to use, and is not generally available at fish hatcheries. Criteria for selection of a replacement method included ease of use, analysis time, cost, safety, sensitivity, accuracy, and precision. The most promising approach was to use the determination of chlorine concentrations as an indicator of chloramine-T. Of the currently available methods for analysis of chlorine, the DPD (N,N-diethyl-p-phenylenediamine) colorimetric method best fit the established criteria. The surrogate method was evaluated under a variety of water quality conditions. Regression analysis of all DPD colorimetric analyses with the HPLC values produced a linear model (Y=0.9602 X+0.1259) with an r2 value of 0.9960. The average accuracy (percent recovery) of the DPD method relative to the HPLC method for the combined set of water quality data was 101.5%. The surrogate method was also evaluated with chloramine-T solutions that contained various concentrations of fish feed or selected densities of rainbow trout. When samples were analyzed within 2 h, the results of the surrogate method were consistent with those of the HPLC method. When samples with high concentrations of organic material were allowed to age more than 2 h before being analyzed, the DPD method seemed to be susceptible to interference, possibly from the development of other chloramine compounds. However, even after aging samples 6 h, the accuracy of the surrogate DPD method relative to the HPLC method was within the range of 80–120%. Based on the data comparing the two methods, the U.S. Food and Drug Administration

  10. A simple analytical procedure to replace HPLC for monitoring treatment concentrations of chloramine-T on fish culture facilities

    USGS Publications Warehouse

    Dawson, V.K.; Meinertz, J.R.; Schmidt, L.J.; Gingerich, W.H.

    2003-01-01

    Concentrations of chloramine-T must be monitored during experimental treatments of fish when studying the effectiveness of the drug for controlling bacterial gill disease. A surrogate analytical method for analysis of chloramine-T to replace the existing high-performance liquid chromatography (HPLC) method is described. A surrogate method was needed because the existing HPLC method is expensive, requires a specialist to use, and is not generally available at fish hatcheries. Criteria for selection of a replacement method included ease of use, analysis time, cost, safety, sensitivity, accuracy, and precision. The most promising approach was to use the determination of chlorine concentrations as an indicator of chloramine-T. Of the currently available methods for analysis of chlorine, the DPD (N,N-diethyl-p-phenylenediamine) colorimetric method best fit the established criteria. The surrogate method was evaluated under a variety of water quality conditions. Regression analysis of all DPD colorimetric analyses with the HPLC values produced a linear model (Y=0.9602 X+0.1259) with an r2 value of 0.9960. The average accuracy (percent recovery) of the DPD method relative to the HPLC method for the combined set of water quality data was 101.5%. The surrogate method was also evaluated with chloramine-T solutions that contained various concentrations of fish feed or selected densities of rainbow trout. When samples were analyzed within 2 h, the results of the surrogate method were consistent with those of the HPLC method. When samples with high concentrations of organic material were allowed to age more than 2 h before being analyzed, the DPD method seemed to be susceptible to interference, possibly from the development of other chloramine compounds. However, even after aging samples 6 h, the accuracy of the surrogate DPD method relative to the HPLC method was within the range of 80-120%. Based on the data comparing the two methods, the U.S. Food and Drug Administration has

  11. Un Marco Abierto: Un Manual de Matematicas y Ciencas Utilizando Inteligencias Multiples Disenado para Estudiantes Bilingues de Educacion General y Especial (An Open Framework: A Math and Science Manual Utilizing Multiple Intelligences Designed for Bilingual Students in General and Special Education).

    ERIC Educational Resources Information Center

    New York City Board of Education, Brooklyn, NY. Office of Bilingual Education.

    This manual incorporates a Multiple Intelligences perspective into its presentation of themes and lesson ideas for Spanish-English bilingual elementary school students in grades 4-8 and is designed for both gifted and special education uses. Each unit includes practice activities, semantic maps to illustrate and help organize ideas as well as…

  12. Mesoscale modeling of polyelectrolyte brushes with salt.

    PubMed

    Ibergay, Cyrille; Malfreyt, Patrice; Tildesley, Dominic J

    2010-06-03

    We report dissipative particle dynamics (DPD) simulations of a polyelectrolyte brush under athermal solvent conditions. The electrostatic interactions are calculated using the particle-particle particle-mesh (PPPM) method with charges distributed over the particles. The polymer beads, counterions, co-ions, and solvent particles are modeled explicitly. The DPD simulations show a dependence of the brush height on the grafting density and the charge fraction that is typical of the nonlinear osmotic brush regime. We report the effect of the addition of salt on the structural properties of the brush. In the case of a polyelectrolyte brush with a high surface coverage, the simulations reproduce the transition between the nonlinear osmotic brush regime where the thickness of the brush is independent of the salt concentration and the salted regime where the brush height decreases weakly with the salt concentration.

  13. Mesoscopic simulation of entanglements using dissipative particle dynamics: application to polymer brushes.

    PubMed

    Goujon, Florent; Malfreyt, Patrice; Tildesley, Dominic J

    2008-07-21

    We use a simple spring-spring repulsion to model entanglements between polymers in dissipative particle dynamics (DPD) simulations. The model is applied to a polymer brushes system to study lubrication. We demonstrate that this method leads to mechanical equilibrium in polymer brushes using the normal DPD time step. The number of bond crossings is calculated to provide a quantitative description of the entanglement. We demonstrate that it is possible to avoid 99% of the bond crossings with the values of spring-spring repulsion that can be used without significantly decreasing the time step. A shear force is applied to the system to study the effect of the decrease in the bond crossings on the structure and rheological properties of the brushes. In particular, we show how the friction coefficient increases with the decrease in the bond crossings of the polymers.

  14. Simulation on electrical field distribution and fiber falls in melt electrospinning.

    PubMed

    Wang, Xin; Liu, Yong; Zhang, Chi; An, Ying; He, Xuetao; Yang, Weimin

    2013-07-01

    Electrospinning is now a typical way of direct and consecutive producing nanofibers. In order to comprehensively understand the change of fiber chains in falling process of electrospinning, the article import dissipative particle dynamics (DPD) mesoscale simulation method into electrospinning study. In current work, an electrical force formula is proposed after simulation of the distribution of electrostatic field in electrospinning using Finite Element Method. Then, various electrostatic force, temperature and viscosity in electrospinning system are qualitatively simulated by DPD simulation. Results showed that the falling velocity of fiber increased with the increase of electrostatic force. It was found that the lower the polymer viscosity, the quicker the fiber falls. And the diameter of fiber significantly increased with augment of viscosity. Both of above are agree with experimental results. We also found that the falling velocity of fiber is in contrast with length of polymer chains, which has not been found in experiments.

  15. Emotional memory and perception of emotional faces in patients suffering from depersonalization disorder.

    PubMed

    Montagne, Barbara; Sierra, Mauricio; Medford, Nick; Hunter, Elaine; Baker, Dawn; Kessels, Roy P C; de Haan, Edward H F; David, Anthony S

    2007-08-01

    Previous work has shown that patients with depersonalization disorder (DPD) have reduced physiological responses to emotional stimuli, which may be related to subjective emotional numbing. This study investigated two aspects of affective processing in 13 patients with DPD according to the DSM-IV criteria and healthy controls: the perception of emotional facial expressions (anger, disgust, fear, happiness, sadness, and surprise) and memory for emotional stimuli. Results revealed a specific lack of sensitivity to facial expression of anger in patients, but normal enhancement of memory for peripheral aspects of arousing emotional material. The results are consistent with altered processing of threat-related stimuli but intact consolidation processes, at least when the stimuli involved are potently arousing.

  16. Analysis of the self-assembling and the defect annihilation processes in DSA using meso-scale simulation

    NASA Astrophysics Data System (ADS)

    Morita, Hiroshi; Norizoe, Yuki

    2015-03-01

    Recently, directed self-assembly (DSA) method is focused on as a next generation lithography technique. We performed the DPD simulations to analyze the self-assembling process of block copolymer in DSA using OCTA (in detail, see http://octa.jp) system. Using DPD simulation, we can obtain the phase separated structures at each moment consisted by block copolymer chains. As those structures are consisted by polymer chains, an analysis can be done on those structures. In this paper, we study the dynamics of end particles in the defect annihilation process to understand the dynamics of self-assembling of block copolymer in DSA. From our analysis, the end particles moves in advance than the change of domain structure in the defect annihilation process.

  17. High permeability explains the vulnerability of the carbon store in drained tropical peatlands

    NASA Astrophysics Data System (ADS)

    Baird, Andy J.; Low, Robert; Young, Dylan; Swindles, Graeme T.; Lopez, Omar R.; Page, Susan

    2017-02-01

    Tropical peatlands are an important global carbon (C) store but are threatened by drainage for palm oil and wood pulp production. The store's stability depends on the dynamics of the peatland water table, which in turn depend on peat permeability. We found that an example of the most abundant type of tropical peatland—ombrotrophic domes—has an unexpectedly high permeability similar to that of gravel. Using computer simulations of a natural peat dome (NPD) and a ditch-drained peat dome (DPD) we explored how such high permeability affects water tables and peat decay. High permeability has little effect on NPD water tables because of low hydraulic gradients from the center to the margin of the peatland. In contrast, DPD water tables are consistently deep, leaving the upper meter of peat exposed to rapid decay. Our results reveal why ditch drainage precipitates a rapid destabilization of the tropical peatland C store.

  18. Dislocation-pipe diffusion in nitride superlattices observed in direct atomic resolution

    PubMed Central

    Garbrecht, Magnus; Saha, Bivas; Schroeder, Jeremy L.; Hultman, Lars; Sands, Timothy D.

    2017-01-01

    Device failure from diffusion short circuits in microelectronic components occurs via thermally induced migration of atoms along high-diffusivity paths: dislocations, grain boundaries, and free surfaces. Even well-annealed single-grain metallic films contain dislocation densities of about 1014 m−2; hence dislocation-pipe diffusion (DPD) becomes a major contribution at working temperatures. While its theoretical concept was established already in the 1950s and its contribution is commonly measured using indirect tracer, spectroscopy, or electrical methods, no direct observation of DPD at the atomic level has been reported. We present atomically-resolved electron microscopy images of the onset and progression of diffusion along threading dislocations in sequentially annealed nitride metal/semiconductor superlattices, and show that this type of diffusion can be independent of concentration gradients in the system but governed by the reduction of strain fields in the lattice. PMID:28382949

  19. Formation of incoherent deformation twin boundaries in a coarse-grained Al-7Mg alloy

    NASA Astrophysics Data System (ADS)

    Jin, S. B.; Zhang, K.; Bjørge, R.; Tao, N. R.; Marthinsen, K.; Lu, K.; Li, Y. J.

    2015-08-01

    Deformation twinning has rarely been observed in coarse grained Al and its alloys except under some extreme conditions such as ultrahigh deformation strain or strain rates. Here, we report that a significant amount of Σ3 deformation twins could be generated in a coarse-grained Al-7 Mg alloy by dynamic plastic deformation (DPD). A systematic investigation of the Σ3 boundaries shows that they are Σ3{112} type incoherent twin boundaries (ITBs). These ITBs have formed by gradual evolution from copious low-angle deformation bands through <111>-twist Σ boundaries by lattice rotation. These findings provide an approach to generate deformation twin boundaries in high stacking fault energy metallic alloys. It is suggested that high solution content of Mg in the alloy and the special deformation mode of DPD played an important role in formation of the Σ and ITBs.

  20. Microstructural Analysis of Orientation-Dependent Recovery and Recrystallization in a Modified 9Cr-1Mo Steel Deformed by Compression at a High Strain Rate

    NASA Astrophysics Data System (ADS)

    Zhang, Zhenbo; Zhang, Yubin; Mishin, Oleg V.; Tao, Nairong; Pantleon, Wolfgang; Juul Jensen, Dorte

    2016-09-01

    The evolution of the microstructure and texture during annealing of a modified ferritic/martensitic 9Cr-1Mo steel compressed by dynamic plastic deformation (DPD) to a strain of 2.3 has been investigated using transmission electron microscopy and electron backscatter diffraction. It is found that the duplex <111> + <100> fiber texture formed by DPD is transformed during annealing to a dominant <111> fiber texture, and that crystallites of the <111> component have an advantage during both nucleation and growth. Detailed characterization of the microstructural morphology, and estimation of the stored energies in <111>- and <100>-oriented regions in deformed and annealed samples, as well as investigations of the growth of recrystallizing grains, are used to analyze the annealing behavior. It is concluded that recrystallization in the given material occurs by a combination of oriented nucleation and oriented growth.

  1. Electro-optic spectral tuning in a fan-out double-prism domain periodically poled lithium niobate intracavity optical parametric oscillator.

    PubMed

    Chang, W K; Chung, H P; Lin, Y Y; Chen, Y H

    2016-08-15

    We report on the design and experimental demonstration of an electro-optically tunable, pulsed intracavity optical parametric oscillator (IOPO) based on a unique fan-out double-prism domain periodically poled lithium niobate (DPD PPLN) in a diode-pumped Nd:YVO4 laser. The PPLN device combines the functionalities of fan-out and ramped duty-cycle domain structured nonlinear crystals, working simultaneously as a continuous grating-period quasi-phase-matched optical parametric downconverter and an electro-optic beam deflector/Q switch in the laser system. When driving the fan-out DPD PPLN with a voltage pulse train and varying the DC offset of the pulse train, a pulsed IOPO was realized with its signal and idler being electro-optically tunable over the 1880 and 2453 nm bands at spectral tuning rates of 13.5 (measured) and 25.8 (calculated) nm/(kV/mm), respectively.

  2. Concurrent material point method and molecular dynamics approach for simulating transient responses

    NASA Astrophysics Data System (ADS)

    Chen, Zhen; Su, Yu-Chen; Zhang, Hetao; Jiang, Shan; Sewell, Thomas D.

    2017-01-01

    To effectively simulate multiscale transient responses such as impact and penetration without the need to invoke a master/slave treatment, the multiscale material point method (Multi-MPM) is being developed wherein molecular dynamics (MD) at the nanoscale or dissipative particle dynamics (DPD) at the mesoscale are handled concurrently within the framework of the original MPM (continuum scale). The proposed numerical scheme for concurrently linking different scales is described here along with a preliminary error analysis. Representative examples for concurrent MPM and DPD and concurrent MPM and MD simulations were presented at SCCM-2015. Because the original MPM is an extension from computational fluid dynamics to solid dynamics, the proposed Multi-MPM might also become robust for dealing with multiphase interactions involving failure evolution.

  3. Analysis of the Differential Phase Detection Signal in Multi-level Run-Length Limited Read-Only Disk Driver

    NASA Astrophysics Data System (ADS)

    Shen, Quanhong; Pei, Jing; Xu, Haizheng; Wang, Lin; Xu, Duanyi

    2006-07-01

    Multilevel run-length-limited (ML-RLL) recording technology could be employed to increase the capacity of the read-only disc without changing optical and mechanical units. In this paper, the tracking error signal (TES) of differential phase detection (DPD) for ML-RLL digital versatile disk (DVD) read-only disk driver is analyzed in both theoretical and experimental way, the uniformity and symmetry of which are worse than that of the DVD read-only disk driver. The variation of peak to peak (PP) value distribution of the DPD signal in open loop of ML-RLL DVD read-only disk driver is about 2.6 times of that of the conventional DVD driver while the asymmetry is about 4 times. It is predicted that some improvements of the tracking servo system are needed in ML-RLL system.

  4. Dihydropyrimidine Dehydrogenase Deficiency in Two Malaysian Siblings with Abnormal MRI Findings

    PubMed Central

    Chen, Bee Chin; Mohd Rawi, Rowani; Meinsma, Rutger; Meijer, Judith; Hennekam, Raoul C.M.; van Kuilenburg, André B.P.

    2014-01-01

    Dihydropyrimidine dehydrogenase (DPD) deficiency is an autosomal recessive disorder of the pyrimidine metabolism. Deficiency of this enzyme leads to an accumulation of thymine and uracil and a deficiency of metabolites distal to the catabolic enzyme. The disorder presents with a wide clinical spectrum, ranging from asymptomatic to severe neurological manifestations, including intellectual disability, seizures, microcephaly, autistic behavior, and eye abnormalities. Here, we report on an 11-year-old Malaysian girl and her 6-year-old brother with DPD deficiency who presented with intellectual disability, microcephaly, and hypotonia. Brain MRI scans showed generalized cerebral and cerebellar atrophy and callosal body dysgenesis in the boy. Urine analysis showed strongly elevated levels of uracil in the girl and boy (571 and 578 mmol/mol creatinine, respectively) and thymine (425 and 427 mmol/mol creatinine, respectively). Sequence analysis of the DPYD gene showed that both siblings were homozygous for the mutation c.1651G>A (pAla551Thr). PMID:25565930

  5. Linearity and Efficiency Performance of GaN HEMTs with Digital Pre-Distortion Correction (Preprint)

    DTIC Science & Technology

    2006-07-01

    AFRL-ML-WP-TP-2007-414 LINEARITY AND EFFICIENCY PERFORMANCE OF GaN HEMTs WITH DIGITAL PRE-DISTORTION CORRECTION (PREPRINT) M.J. Poulton, W.K...EFFICIENCY PERFORMANCE OF GaN HEMTs WITH DIGITAL PRE-DISTORTION CORRECTION (PREPRINT) 5c. PROGRAM ELEMENT NUMBER 62102F 5d. PROJECT NUMBER 4348...device performance using Digital Pre-Distortion (DPD) correction. Additionally, both drain voltage and current were optimized to provide high

  6. Emotional Experience and Awareness of Self: Functional MRI Studies of Depersonalization Disorder

    PubMed Central

    Medford, Nick; Sierra, Mauricio; Stringaris, Argyris; Giampietro, Vincent; Brammer, Michael J.; David, Anthony S.

    2016-01-01

    This paper presents functional MRI work on emotional processing in depersonalization disorder (DPD). This relatively neglected disorder is hallmarked by a disturbing change in the quality of first-person experience, almost invariably encompassing a diminished sense of self and an alteration in emotional experience such that the sufferer feels less emotionally reactive, with emotions experienced as decreased or “damped down,” so that emotional life seems to lack spontaneity and subjective validity. Here we explored responses to emotive visual stimuli to examine the functional neuroanatomy of emotional processing in DPD before and after pharmacological treatment. We also employed concurrent skin conductance measurement as an index of autonomic arousal. In common with previous studies we demonstrated that in DPD, there is attenuated psychophysiological response to emotional material, reflected in altered patterns of (i) regional brain response, (ii) autonomic responses. By scanning participants before and after treatment we were able to build on previous findings by examining the changes in functional MRI response in patients whose symptoms had improved at time 2. The attenuation of emotional experience was associated with reduced activity of the insula, whereas clinical improvement in DPD symptoms was associated with increased insula activity. The insula is known to be implicated in interoceptive awareness and the generation of feeling states. In addition an area of right ventrolateral prefrontal cortex emerged as particularly implicated in what may be “top-down” inhibition of emotional responses. The relevance of these findings to the wider study of emotion, self-related processes, and interoception is discussed. PMID:27313548

  7. The First Case of Severe Takotsubo Cardiomyopathy Associated with 5-Fluorouracil in a Patient with Abnormalities of Both Dihydropyrimidine Dehydrogenase (DPYD) and Thymidylate Synthase (TYMS) Genes

    PubMed Central

    Smith, Melissa; Maloney, Antonio

    2016-01-01

    5-Fluorouracil (5-FU) is the backbone of the chemotherapy regimens approved for treatment of many malignancies, especially colorectal cancer (CRC). The incidence of cardiotoxicity associated with 5-FU ranges between 1.5% to 18% and is most commonly manifested as anginal symptoms. Cardiomyopathy is very rarely reported with 5-FU and capecitabine. A 35-year-old Caucasian male with T3, N1, M0 rectal cancer after the initial neoadjuvant chemoradiation with 5FU/LV followed by surgical abdominoperineal resection (APR), began mFOLFOX6 in the adjuvant setting. Following the first treatment, he developed severe cardiomyopathy, with a drop in ejection fraction (EF) to 19% from normal. The cardiac workup showed no ischemic or other etiologies to explain this cardiac event. He was a nonsmoker and only occasionally drank alcohol. He had no previous or family history of heart disease and had normal cholesterol level. He was treated for severe congestive heart failure (CHF). When the patient presented to us for second opinion, we decided to examine him for dihydropyrimidine dehydrogenase (DPD) deficiency and thymidylate synthase (TYMS) polymorphism. The patient was found to be heterozygous for the c.85T>C mutation, resulting in reduced DPYD enzymatic activity and homozygous for TYMS 5’TSER genotype 2R/2R *f. Our group first identified and reported P453L (1358C>T) type DPYD germline mutation in a patient who developed 5-FU induced cardiotoxicity. In this paper, we describe the first case of cardiomyopathy related to DPD deficiency and homozygous polymorphism of TYMS in a patient with colon cancer following 5-FU containing regimen. Fluorouracil-related cardiomyopathy has to be anticipated and treated to prevent the serious consequence of cardiac dysfunction. The prospective testing for DPD deficiency in patients might prevent DPD-deficient patients from severe toxicity or even death, and therefore the development of a unified screening method is warranted. PMID:27752409

  8. Effect of Bioaerosol on the Release of Iodine from Iodine Treated Filters

    DTIC Science & Technology

    2011-12-01

    proportional to the total I2 concentration ( HACH 2003; Lee et al., 2009). Ten mL of the collection medium was analyzed at a wavelength of 530 nm...using a DR⁄4000 V spectrophotometer ( HACH , Loveland, CO, USA). The detection limit of this spectrophotometer using HACH Program: 2100 provided in the...using HACH Program: 2100 with the DPD method was established; the R2 value was 0.9992 as shown in Figure 3. The iodine concentration of each test

  9. A portable toxicity biosensor using freeze-dried recombinant bioluminescent bacteria.

    PubMed

    Choi, Sue Hyung; Gu, Man Bock

    2002-05-01

    A portable biosensor has been developed to meet the demands of field toxicity analysis. This biosensor consists of three parts, a freeze-dried biosensing strain within a vial, a small light-proof test chamber, and an optic-fiber connected between the sample chamber and a luminometer. Various genetically engineered bioluminescent bacteria were freeze-dried to measure different types of toxicity based upon their modes of action. GC2 (lac::luxCDABE), a constitutively bioluminescent strain, was used to monitor the general toxicity of samples through a decrease in its bioluminescence, while specific toxicity was detected through the use of strains such as DPD2540 (fabA::luxCDABE), TV1061 (grpE::luxCDABE), DPD2794 (recA::luxCDABE), and DPD2511 (katG::luxCDABE). These inducible strains show an increase in bioluminescence under specific stressful conditions, i.e. membrane-, protein-, DNA-, and oxidative-stress, respectively. The toxicity of a sample could be detected by measuring the bioluminescence 30 min after addition to the freeze-dried strains. In an attempt to enhance the sensitivity of the freeze-dried cells, glucose and Tween 80 were tested as additives. It was found that the addition of glucose had a negative effect on the viability of the freeze-dried cells, while samples having Tween 80 showed an increase in their viability. On the other hand, the addition of either Tween 80 or glucose decreased the final bioluminescent response of DPD2540 in response to 4-chlorophenol. Using these strains, many different chemicals were tested and characterized. This portable biosensor, with a very simple protocol, can be used for field sample analysis and the monitoring of various water systems on-site.

  10. Continuation through Singularity of Continuum Multiphase Algorithms

    DTIC Science & Technology

    2013-03-01

    15]. The connection between MDPD and SPH was then clarified by Español and Revenga [16], who introduced a smoothed DPD (SDPD) method as a SPH...and H. A. Posch, Phys. Rev. E 62, 4968 (2000). [16] P. Español and M. Revenga, Phys. Rev. E 67, 026705 (2003). [17] P. Español , M. Serrano, and H. C

  11. Altered Resting-State Brain Activity and Connectivity in Depressed Parkinson's Disease.

    PubMed

    Hu, Xiao; Song, Xiaopeng; Li, Erfeng; Liu, Jiajia; Yuan, Yonggui; Liu, Weiguo; Liu, Yijun

    2015-01-01

    Depressive symptoms are common in Parkinson's disease (PD), but the neurophysiological mechanisms of depression in PD are poorly understood. The current study attempted to examine disrupted spontaneous local brain activities and functional connectivities that underlie the depression in PD. We recruited a total of 20 depressed PD patients (DPD), 40 non-depressed PD patients (NDPD) and 43 matched healthy controls (HC). All the subjects underwent neuropsychological tests and resting-state fMRI scanning. The between-group differences in the amplitude of low frequency fluctuations (ALFF) of BOLD signals were examined using post-hoc tests after the analysis of covariance. Compared with the NDPD and HC, the DPD group showed significantly increased ALFF in the left median cingulated cortex (MCC). The functional connectivity (FC) between left MCC and all the other voxels in the brain were then calculated. Compared with the HC and NDPD group, the DPD patients showed stronger FC between the left MCC and some of the major nodes of the default mode network (DMN), including the post cingulated cortex/precuneus, medial prefrontal cortex, inferior frontal gyrus, and cerebellum. Correlation analysis revealed that both the ALFF values in the left MCC and the FC between the left MCC and the nodes of DMN were significantly correlated with the Hamilton Depression Rating Scale score. Moreover, higher local activities in the left MCC were associated with increased functional connections between the MCC and the nodes of DMN in PD. These abnormal activities and connectivities of the limbic-cortical circuit may indicate impaired high-order cortical control or uncontrol of negative mood in DPD, which suggested a possible neural mechanism of the depression in PD.

  12. Biomechanics of Hybrid Anterior Cervical Fusion and Artificial Disc Replacement in 3-Level Constructs: An In Vitro Investigation

    PubMed Central

    Liao, Zhenhua; Fogel, Guy R.; Pu, Ting; Gu, Hongsheng; Liu, Weiqiang

    2015-01-01

    Background The ideal surgical approach for cervical disk disease remains controversial, especially for multilevel cervical disease. The purpose of this study was to investigate the biomechanics of the cervical spine after 3-level hybrid surgery compared with 3-level anterior cervical discectomy and fusion (ACDF). Material/Methods Eighteen human cadaveric spines (C2-T1) were evaluated under displacement-input protocol. After intact testing, a simulated hybrid construct or fusion construct was created between C3 to C6 and tested in the following 3 conditions: 3-level disc plate disc (3DPD), 3-level plate disc plate (3PDP), and 3-level plate (3P). Results Compared to intact, almost 65~80% of motion was successfully restricted at C3-C6 fusion levels (p<0.05). 3DPD construct resulted in slight increase at the 3 instrumented levels (p>0.05). 3PDP construct resulted in significant decrease of ROM at C3-C6 levels less than 3P (p<0.05). Both 3DPD and 3PDP caused significant reduction of ROM at the arthrodesis level and produced motion increase at the arthroplasty level. For adjacent levels, 3P resulted in markedly increased contribution of both upper and lower adjacent levels (p<0.05). Significant motion increases lower than 3P were only noted at partly adjacent levels in some conditions for 3DPD and 3PDP (p<0.05). Conclusions ACDF eliminated motion within the construct and greatly increased adjacent motion. Artificial cervical disc replacement normalized motion of its segment and adjacent segments. While hybrid conditions failed to restore normal motion within the construct, they significantly normalized motion in adjacent segments compared with the 3-level ACDF condition. The artificial disc in 3-level constructs has biomechanical advantages compared to fusion in normalizing motion. PMID:26529430

  13. Bone turnover in malnourished children.

    PubMed

    Branca, F; Robins, S P; Ferro-Luzzi, A; Golden, M H

    Pyridinoline (PYD) and deoxypyridinoline (DPD) are cross-linking aminoacids of collagen that are located mainly in bone and cartilage. When bone matrix is resorbed these cross-links are quantitatively excreted in the urine and therefore represent specific markers. We have measured the urinary excretion rate of PYD and DPD in 46 severely malnourished boys to assess their skeletal turnover and to relate this to their subsequent rate of growth. The children were aged 13 months (SD 6), and height-for-age was -3.6 (1.6) Z-score, and weight-for-height was -2.4 (0.8) Z-score. PYD excretion when malnourished and after "recovery" was 11.2 (4.6) nmol h-1m-2 and 32.2 (10.8) nmol h-1m-2 and DPD excretion was 2.6 (1.3) nmol h-1m-2 and 7.5 (3.0) nmol h-1m-2, respectively. The ratio of the two cross-links did not change with recovery. These data show that cartilage and bone turnover is much lower in the malnourished than in the recovered child. There was no difference in the degree of depression of turnover between the children with marasmus, marasmic-kwashiorkor, or kwashiorkor. The rate of height gain during recovery was significantly related to cross-link excretion, age, and weight-for-height on admission. These three factors accounted for 44% of the variance in the height velocity of the children. PYD and DPD excretion rate could be used to assess therapeutic interventions designed to alleviate stunting.

  14. Complexity-reduced digital predistortion for subcarrier multiplexed radio over fiber systems transmitting sparse multi-band RF signals.

    PubMed

    Pei, Yinqing; Xu, Kun; Li, Jianqiang; Zhang, Anxu; Dai, Yitang; Ji, Yuefeng; Lin, Jintong

    2013-02-11

    A novel multi-band digital predistortion (DPD) technique is proposed to linearize the subcarrier multiplexed radio-over-fiber (SCM-RoF) system transmitting sparse multi-band RF signal with large blank spectra between the constituent RF bands. DPD performs on the baseband signal of each individual RF band before up-conversion and RF combination. By disregarding the blank spectra, the processing bandwidth of the proposed DPD technique is greatly reduced, which is only determined by the baseband signal bandwidth of each individual RF band, rather than the entire bandwidth of the combined multi-band RF signal. Experimental demonstration is performed in a directly modulated SCM-RoF system transmitting two 64QAM modulated OFDM signals on 2.4GHz band and 3.6GHz band. Results show that the adjacent channel power (ACP) is suppressed by 15dB leading to significant improvement of the EVM performances of the signals on both of the two bands.

  15. A look-up-table digital predistortion technique for high-voltage power amplifiers in ultrasonic applications.

    PubMed

    Gao, Zheng; Gui, Ping

    2012-07-01

    In this paper, we present a digital predistortion technique to improve the linearity and power efficiency of a high-voltage class-AB power amplifier (PA) for ultrasound transmitters. The system is composed of a digital-to-analog converter (DAC), an analog-to-digital converter (ADC), and a field-programmable gate array (FPGA) in which the digital predistortion (DPD) algorithm is implemented. The DPD algorithm updates the error, which is the difference between the ideal signal and the attenuated distorted output signal, in the look-up table (LUT) memory during each cycle of a sinusoidal signal using the least-mean-square (LMS) algorithm. On the next signal cycle, the error data are used to equalize the signal with negative harmonic components to cancel the amplifier's nonlinear response. The algorithm also includes a linear interpolation method applied to the windowed sinusoidal signals for the B-mode and Doppler modes. The measurement test bench uses an arbitrary function generator as the DAC to generate the input signal, an oscilloscope as the ADC to capture the output waveform, and software to implement the DPD algorithm. The measurement results show that the proposed system is able to reduce the second-order harmonic distortion (HD2) by 20 dB and the third-order harmonic distortion (HD3) by 14.5 dB, while at the same time improving the power efficiency by 18%.

  16. Evidence of Increased Bone Resorption in Neurofibromatosis Type 1 Using Urinary Pyridinium Crosslink Analysis

    PubMed Central

    STEVENSON, DAVID A.; SCHWARZ, ELISABETH L.; VISKOCHIL, DAVID H.; MOYER-MILEUR, LAURIE J.; MURRAY, MARY; FIRTH, SEAN D.; D’ASTOUS, JACQUES L.; CAREY, JOHN C.; PASQUALI, MARZIA

    2011-01-01

    Although neurofibromatosis type 1 (NF1) is a neuro-cutaneous disorder, skeletal abnormalities such as long-bone dysplasia, scoliosis, sphenoid wing dysplasia, and osteopenia are observed. To investigate the role of bone resorption as a mechanism for the bony abnormalities, we selected urinary pyridinium crosslinks (collagen degradation products excreted in urine) as a measure of bone resorption in NF1. Bone resorption was evaluated by quantitative assessment of the urinary excretion of pyridinium crosslinks [pyridinoline (Pyd) and deoxypyridinoline (Dpd)]. Total (free plus peptide-bound) pyridinium crosslinks from the first morning urines from 59 NF1 children (ages 5–19) were extracted and analyzed (17 children with a localized skeletal dysplasia, and 42 without). The data were compared with a healthy reference population without NF1 (n = 99). Multivariate analyses, controlling for age showed statistically significant increases for Dpd (p < 0.001) and the Dpd/Pyd ratio (p < 0.001) in NF1 individuals with and without a skeletal dysplasia. NF1 children have an increase in the urinary excretion of pyridinium crosslinks, reflecting increased bone resorption. The effects of NF1 haploinsufficiency likely contribute to abnormal bone remodeling, either directly or indirectly by aberrant Ras signaling, potentially predisposing NF1 individuals to localized skeletal defects. PMID:18317233

  17. A critical comparison of two high-throughput ascorbate analyses methods for plant samples.

    PubMed

    Ueda, Yoshiaki; Wu, Linbo; Frei, Michael

    2013-09-01

    Ascorbate (AsA) is an important metabolite involved in stress response and development of plants. Therefore it is necessary to quantify the AsA content in many fields of plant science, including high throughput and critical applications. In this study we compared two different microplate-based AsA assays, which are suitable for high throughput applications: an ascorbate oxidase (AO)-based assay and a dipyridyl (DPD)-based assay. These methods were compared in critical applications, i.e. (i) when AsA concentrations were very low such as in apoplastic extracts, (ii) when plants contained pigments interfering with the spectrometric measurements, and (iii) when plants contained high iron concentration interfering with the color reactions. The precision of measurements was higher with the DPD method, as illustrated by higher recovery rates of internal AsA standards. On the other hand, the AO method was more sensitive to low levels of AsA. This was an advantage in determining apoplastic AsA concentration in rice, which was substantially lower than that of whole tissues. The AO method also had the advantage that plant pigments and high iron concentrations in plants tissues did not interfere with the analysis, as opposed to the DPD assay. In conclusion, both assays had advantages and the choice of a suitable method depends on the specific application.

  18. Quantitative analysis of the enzymes associated with 5-fluorouracil metabolism in prostate cancer biopsies.

    PubMed

    Tanaka, Tomoaki

    2011-01-01

    Orotate phosphoribosyl transferase (OPRT) is the initial enzyme of 5-FU activation, in which 5-FU is converted to 5-fluorouridinemonophosphate. Dihydropyrimidine dehydrogenase (DPD) is a degrading enzyme that catabolizes 5-FU. In this study, we investigated the expression of these enzymes in normal prostate gland (NP), hormone-sensitive prostate cancer (HSPC), and hormone-refractory prostate cancer (HRPC). The prostatic tissue specimens were obtained from patients who had undergone prostate needle biopsies without any treatments or with PSA failure after initial androgen deprivation. The tissue samples derived from formalin-fixed, paraffin-embedded (FFPE) sections were prepared by laser-capture microdissection, and from them RNA was extracted. The levels of OPRT and DPD mRNA expression were examined by quantitative reverse transcriptase-polymerase chain reaction (RT-PCR). The level of OPRT mRNA expression in the HSPC or the HRPC specimens was significantly higher than that in the NP specimens. There was a significant correlation between OPRT mRNA expression levels and the tumor pathological grade. Furthermore, the OPRT/ DPD expression ratio, a powerful predictive factor to evaluate 5-FU sensitivity, in the HRPC group was significantly higher than that in the low-grade HSPC group. Thus, the quantitative evaluation for these enzymes based on phosphorylation of 5-FU may be an effective option for some prostate cancer patients, particularly HRPC group.

  19. Overexpression of orotate phosphoribosyl transferase in hormone-refractory prostate cancer.

    PubMed

    Tanaka, Tomoaki; Kawashima, Hidenori; Matsumura, Kentaro; Yamashita-Hosono, Tomoko; Yoshimura, Rikio; Kuratsukuri, Katsuyuki; Harimoto, Koji; Nakatani, Tatsuya

    2009-01-01

    Orotate phosphoribosyl transferase (OPRT) is the initial enzyme of 5-fluorouracil (5-FU) activation, in which 5-FU is converted to 5-fluorouridinemonophosphate. Dihydropyrimidine dehydrogenase (DPD) is a degrading enzyme that catabolizes 5-FU. In this study, we investigated the expression of these enzymes in normal prostate gland (NP), hormone-sensitive prostate cancer (HSPC) and hormone-refractory prostate cancer (HRPC). Forty-two prostatic tissue specimens were obtained from patients who had undergone prostate needle biopsies without any treatments or with PSA failure after initial androgen deprivation. The tissue samples derived from formalin-fixed, paraffin-embedded sections were made by laser-captured microdissection and from those RNA was extracted. The levels of OPRT and DPD mRNA expression were examined by quantitative reverse transcriptase-polymerase chain reaction (RT-PCR). The level of OPRT mRNA expression in the HSPC or the HRPC specimens was significantly higher than that in the NP specimens. Immunohistochemical staining for OPRT revealed strong expression of OPRT in prostate cancer cells. There was a significant correlation between OPRT mRNA expression levels and the tumor pathological grade. Furthermore, the OPRT/DPD expression ratio, a powerful predictive factor to evaluate 5-FU sensitivity, in the HRPC group was significantly higher than that in the low grade HSPC group. Thus, 5-FU may be an effective option for some HRPC patients.

  20. Mesoscopic Simulation Methods for Polymer Dynamics

    NASA Astrophysics Data System (ADS)

    Larson, Ronald

    2015-03-01

    We assess the accuracy and efficiency of mesoscopic simulation methods, namely Brownian Dynamics (BD), Stochastic Rotation Dynamics (SRD) and Dissipative Particle Dynamics (DPD), for polymers in solution at equilibrium and in flows in microfluidic geometries. Both SRD and DPD use solvent ``particles'' to carry momentum, and so account automatically for hydrodynamic interactions both within isolated polymer coils, and with other polymer molecules and with nearby solid boundaries. We assess quantitatively the effects of artificial particle inertia and fluid compressibility and show that they can be made small with appropriate choice of simulation parameters. We then use these methods to study flow-induced migration of polymer chains produced by: 1) hydrodynamic interactions, 2) streamline curvature or stress-gradients, and 3) convection of wall depletion zones. We show that huge concentration gradients can be produced by these mechanisms in microfluidic geometries that can be exploited for separation of polymers by size in periodic contraction-expansion geometries. We also assess the range of conditions for which BD, SRD or DPD is preferable for mesoscopic simulations. Finally, we show how such methods can be used to simulate quantitatively the swimming of micro-organisms such as E. coli. In collaboration with Lei Jiang and Tongyang Zhao, University of Michigan, Ann Arbor, MI.

  1. Implementing Multiscale Fluid Simulations using Multiscale Universal Interface

    NASA Astrophysics Data System (ADS)

    Tang, Yu-Hang; Kudo, Shuhei; Bian, Xin; Li, Zhen; Karniadakis, George; Crunch Team

    2015-11-01

    The power of multiscale fluid simulations lies in its ability to recover a hierarchical levels of details by choreographing multiple solvers, thus extending the length and time scale accessible given a fixed amount of computing power. However, practical difficulties frequently arise when stitching together solvers which were not designed to be coupled, and would often result in tedious and unsustainable coding effort. The Multiscale Universal Interface (MUI) aims to solve this problem by exposing a small set of generalized programming interfaces that can be dropped into existing solvers with minimal intrusion. Three deployment cases will be given for demonstrating real-world applications of MUI. In the first case we used MUI to implement simulations of polymer-grafted surface in flow using Smoothed Particle Hydrodynamics/Dissipative Particle Dynamics (SPH/DPD) and state variable coupling. In the second case we constructed coupled DPD/Finite Element Method (FEM) simulation of conjugate heat transfer in heterogeneous coolant. In the third case we built hybrid DPD/molecular dynamics (MD) simulations by blending the forces on atoms at interface regions. Supported by the DOE Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4) and AFOSR FA9550-12-1-0463. Computer hours at ORNL allocated through INCITE BIP118 and DD102.

  2. A retrospective study on TS mRNA expression and prediction of the effects of adjuvant oral 5-fluorouracil in breast cancer

    PubMed Central

    AKI, FUMINORI; BANDO, YOSHIMI; TAKAHASHI, TETSUYUKI; UEHARA, HISANORI; NUMOTO, SATOSHI; ITO, SUEYOSHI; SASA, MITSUNORI; IZUMI, KEISUKE

    2010-01-01

    Nucleic acid-metabolizing enzymes, such as thymidylate synthase (TS), dihydropyrimidine dehydrogenase (DPD), thymidine phosphorylase (TP) and orotate phosphoribosyl transferase (OPRT), have attracted attention as candidates for response determinants of 5-fluorouracil (5-FU). Whether the expression levels of these enzymes can be adopted as valuable parameters for 5-FU sensitivity in breast cancer has yet to be elucidated. In the present study, intratumoral mRNA expression of TS, DPD, TP and OPRT were determined in formalin-fixed paraffin-embedded surgical specimens collected from 217 breast cancer patients, using the Danenberg Tumor Profile method, which combines microdissection and real-time-polymerase chain reaction. The significance of these enzymes as prognostic and 5-FU efficacy-predicting factors was evaluated. Our data showed that a low DPD expression is related to a high nuclear grade and other factors including hormone receptor-negativity. Low expression levels of TP were found in hormone receptor-negative tumors. TS and OPRT expression were not related to various clinicopathological factors, but patients with a high TS mRNA expression showed a significantly poorer prognosis in cases where 5-FU was not administered. The efficacy of 5-FU was more significant when administered for more than 6 months in the group with a high TS mRNA expression. These data suggest that TS mRNA expression in breast cancer tissue is an ideal predictor of outcomes for patients with no administration of 5-FU, and of the efficacy of 5-FU. PMID:22870098

  3. A Coarse-Grained Simulation of Rheology of Colloidal Suspensions and Polymer Nano-Composites

    NASA Astrophysics Data System (ADS)

    Pryamitsyn, Victor

    2005-03-01

    We extend DPD model to address dynamical properties of suspensions of solid particles in complex fluids. In this approach, the solvent particles (polymer segments) are represented as DPD particles. In contrast, the solute particles are represented as spherical hard particles of appropriate size. To provide proper shear friction and grip of the colloids and solvent we utilize Espanol's extensions over standard DPD model by adding rotational degree of freedom and rotational friction and non-central dissipative and random forces. For non-polymeric fluids, our results focus on the equilibrium dynamics and the steady state shear rheological behavior for a range of volume fractions of the suspension, and demonstrate excellent agreement with many published experimental and theoretical results. Moreover, we are also able to track the glass transition of our suspension and associated dynamical signatures in both the diffusivities and the rheological properties of our suspension. For polymeric fluid, we have studied influence of polymer-particle friction and particle concentration on polymer matrix relaxation dynamics, particle diffusion and rheology of the composite. Our results suggest that the simulation approach can be used as a mesoscale model to examine quantitatively the rheological properties of colloidal suspensions in complex fluid solvents such as polymeric melts and solutions, as well as allied dynamical phenomena such as phase ordering in mixtures of block copolymers and particles.

  4. Dissipative particle dynamics with attractive and repulsive particle-particle interactions

    SciTech Connect

    Paul Meakin; Moubin Liu; Hai Huang

    2006-01-01

    In molecular dynamics simulations, a combination of short-range repulsive and long-range attractive interactions allows the behavior of gases, liquids, solids, and multiphase systems to be simulated. We demonstrate that dissipative particle dynamics (DPD) simulations with similar pairwise particle-particle interactions can also be used to simulate the dynamics of multiphase fluids. In these simulations, the positive, short-range, repulsive part of the interaction potentials were represented by polynomial spline functions such as those used as smoothing functions in smoothed particle hydrodynamics, and the negative long-range part of the interaction has the same form but a different range and amplitude. If a single spline function corresponding to a purely repulsive interaction is used, the DPD fluid is a gas, and we show that the Poiseuille flow of this gas can be described accurately by the Navier-Stokes equation at low Reynolds numbers. In a two-component system in which the purely repulsive interactions between different components are substantially larger than the purely repulsive intracomponent interactions, separation into two gas phases occurs, in agreement with results obtained using DPD simulations with standard repulsive particle-particle interactions. Finally, we show that a combination of short-range repulsive interactions and long-range attractive interactions can be used to simulate the behavior of liquid drops surrounded by a gas. Similar models can be used to simulate a wide range of processes such as multiphase fluid flow through fractures and porous media with complex geometries and wetting behaviors.

  5. Heritability of markers of bone metabolism

    NASA Technical Reports Server (NTRS)

    Smith, Scott M.; Zwart, S. R.; Hargens, A. R.

    2005-01-01

    Several classic twin studies show genetic effects on markers of bone health, including bone mineral density and parathyroid hormone (PTH). This study was performed to assess the relative contribution of genetics to biochemical markers of bone metabolism. Fifteen sets of identical twins (8 male, 7 female) were housed in a clinical research center where diet was controlled (15% protein, 55% carbohydrate, 30% fat) for 3 consecutive days. Each day, 24-h urine pools were collected and N-telopeptide (NTX), deoxypyridinoline (DPD), calcium, and serum PTH were measured. The broad-sense heritability factor (H2) is an estimation of the portion of the total variance of a given phenotype that is attributable to genetic variance. H2 was estimated from the correlation coefficient of the phenotype data. H2 for NTX was 94% for males and 80% for females, DPD was 88% for males and 97% for females, urinary calcium excretion was 97% for males and 90% for females, and PTH was 92% for males and 79% for females. Since environmental variability was minimized for the 3 days of data collection, these heritability factors are likely overestimated. Nonetheless, the data support the concept that PTH is a predominantly heritable trait, and suggest that NTX, DPD, and calcium excretion are as well. These biochemical data support the previously documented heritability of bone health.

  6. Microstructure and annealing behavior of a modified 9Cr-1Mo steel after dynamic plastic deformation to different strains

    NASA Astrophysics Data System (ADS)

    Zhang, Z. B.; Mishin, O. V.; Tao, N. R.; Pantleon, W.

    2015-03-01

    The microstructure, hardness and tensile properties of a modified 9Cr-1Mo steel processed by dynamic plastic deformation (DPD) to different strains (0.5 and 2.3) have been investigated in the as-deformed and annealed conditions. It is found that significant structural refinement and a high level of strength can be achieved by DPD to a strain of 2.3, and that the microstructure at this strain contains a large fraction of high angle boundaries. The ductility of the DPD processed steel is however low. Considerable structural coarsening of the deformed microstructure without pronounced recrystallization takes place during annealing of the low-strain and high-strain samples for 1 h at 650 °C and 600 °C, respectively. Both coarsening and partial recrystallization occur in the high-strain sample during annealing at 650 °C for 1 h. For this sample, it is found that whereas coarsening alone results in a loss of strength with only a small gain in ductility, coarsening combined with pronounced partial recrystallization enables a combination of appreciably increased ductility and comparatively high strength.

  7. Ventrolateral prefrontal cortex repetitive transcranial magnetic stimulation in the treatment of depersonalization disorder: A consecutive case series.

    PubMed

    Jay, Emma-Louise; Nestler, Steffen; Sierra, Mauricio; McClelland, Jessica; Kekic, Maria; David, Anthony S

    2016-06-30

    Case reports and an open trial have reported promising responses to repetitive transcranial magnetic stimulation (rTMS) to prefrontal and temporo-parietal sites in patients with depersonalization disorder (DPD). We recently showed that a single session of rTMS to the ventrolateral prefrontal cortex (VLPFC) was associated with a reduction in symptoms and increase in physiological arousal. Seven patients with medication-resistant DSM-IV DPD received up to 20 sessions of right-sided rTMS to the VLPFC for 10 weeks. Stimulation was guided using neuronavigation software based on participants' individual structural MRIs, and delivered at 110% of resting motor threshold. A session consisted of 1Hz repetitive TMS for 15min. The primary outcome measure was reduction in depersonalization symptoms on the Cambridge Depersonalization Scale (CDS). Secondary outcomes included scores on the Beck Depression Inventory (BDI) and Beck Anxiety Inventory (BAI). 20 sessions of rTMS treatment to right VLPFC significantly reduced scores on the CDS by on average 44% (range 2-83.5%). Two patients could be classified as "full responders", four as "partial" and one a non-responder. Response usually occurred within the first 6 sessions. There were no significant adverse events. A randomized controlled clinical trial of VLPFC rTMS for DPD is warranted.

  8. Triple-decker: Interfacing atomistic-mesoscopic-continuum flow regimes

    SciTech Connect

    Fedosov, Dmitry A.; Karniadakis, George Em

    2009-03-01

    Multiscale flow phenomena in microfluidic and biomedical applications require the use of heterogeneous modeling approaches. In this paper we present a hybrid method based on coupling the Molecular Dynamics (MD) method, the Dissipative Particle Dynamics (DPD) method, and the incompressible Navier-Stokes (NS) equations. MD, DPD, and NS are formulated in separate subdomains and are coupled via an overlapping region by communicating state information at the subdomain boundaries. Imposition of boundary conditions in the MD and DPD systems involves particle insertion and deletion, specular wall reflection and body force terms. The latter includes a boundary pressure force in order to minimize near-boundary density fluctuations, and an adaptive shear force which enforces the tangential velocity component of boundary conditions. The triple-decker algorithm is verified for prototype flows, including simple and multi-layer fluids (Couette, Poiseuille, and lid-driven cavity), using highly accurate reference solutions. A zero-thickness interface is also possible if it is aligned with the flow streamlines.

  9. An automatic falling drop system based on multicommutation process for photometric chlorine determination in bleach.

    PubMed

    da Silva Borges, Sivanildo; Reis, Boaventura F

    2007-09-26

    In this work an automatic photometric procedure for the determination of chlorine in bleach samples employing N,N'-diethyl-p-phenylenediamine (DPD) as chromogenic reagent is described. The procedure was based on a falling drop system where the analyte (Cl(2)) was collected by a DPD solution drop (50 microL) after its delivery from the sample bulk that was previously acidified. The flow system was designed based on the multicommutation process assembling a set of three-way solenoid valves, which under microcomputer control afforded facilities to handle sample and reagent solution in order to control analyte delivering and solution drop generation. The analyte volatilization was improved by coupling online a little heating device. The detection system comprised a green LED (515 nm) and a phototransistor. Aiming to prove the usefulness of the proposed procedure a set of bleach samples was analyzed. Comparing the results with those obtained with reference method no significant difference at 95% confidence level was observed. Other profitable features such as a linear response ranging from 15 up to 100 mgL(-1) Cl(2) (R=0.999); a detection limit of 4.5 mgL(-1) Cl(2) estimated based on the 3 sigma criterion; a relative standard deviation of 2.5% (n=10) using a typical bleach sample containing 25.0 mgL(-1) Cl(2); a consumption of 55 microg of DPD per determination; and a analytical frequency of 20 determinations per hour were also achieved.

  10. Decision peptide-driven: a free software tool for accurate protein quantification using gel electrophoresis and matrix assisted laser desorption ionization time of flight mass spectrometry.

    PubMed

    Santos, Hugo M; Reboiro-Jato, Miguel; Glez-Peña, Daniel; Nunes-Miranda, J D; Fdez-Riverola, Florentino; Carvallo, R; Capelo, J L

    2010-09-15

    The decision peptide-driven tool implements a software application for assisting the user in a protocol for accurate protein quantification based on the following steps: (1) protein separation through gel electrophoresis; (2) in-gel protein digestion; (3) direct and inverse (18)O-labeling and (4) matrix assisted laser desorption ionization time of flight mass spectrometry, MALDI analysis. The DPD software compares the MALDI results of the direct and inverse (18)O-labeling experiments and quickly identifies those peptides with paralleled loses in different sets of a typical proteomic workflow. Those peptides are used for subsequent accurate protein quantification. The interpretation of the MALDI data from direct and inverse labeling experiments is time-consuming requiring a significant amount of time to do all comparisons manually. The DPD software shortens and simplifies the searching of the peptides that must be used for quantification from a week to just some minutes. To do so, it takes as input several MALDI spectra and aids the researcher in an automatic mode (i) to compare data from direct and inverse (18)O-labeling experiments, calculating the corresponding ratios to determine those peptides with paralleled losses throughout different sets of experiments; and (ii) allow to use those peptides as internal standards for subsequent accurate protein quantification using (18)O-labeling. In this work the DPD software is presented and explained with the quantification of protein carbonic anhydrase.

  11. Sodium zeolite a supplementation and its impact on the skeleton of dairy calves.

    PubMed

    Turner, K K; Nielsen, B D; O'Connor-Robison, C I; Rosenstein, D S; Marks, B P; Nielsen, F H; Orth, M W

    2008-02-01

    Twenty calves were placed on study at 3 days of age and were placed according to birth order into one of two groups: SS, which received 0.05% BW sodium zeolite A (SZA) added to their milk replacer, and CO, which received only milk replacer. Blood samples were taken on days 0, 30, and 60 for osteocalcin (OC) and deoxypyridinoline (DPD) analysis. On day 60, the calves were euthanized, and synovial fluid, articular cartilage, and both fused metacarpals were collected for bone quality analyses such as architecture and mechanical properties, mineral composition, and glycosaminoglycan concentration. There were no differences in OC concentrations because of treatment (p = 0.12), and CO calves had lower DPD concentrations than SS calves (p = 0.01), but the OC-to-DPD ratio was not different between treatments (p = 0.98). No differences in bone architecture or mechanical properties were detected. SZA supplementation increased cortical bone (p = 0.0002) and articular cartilage (p = 0.05) aluminum content. Glycosaminoglycan concentrations were not different in synovial fluid or cartilage. Supplementation of SZA appeared to alter the rate of bone turnover without altering bone strength. Aluminum concentrations in the bone and cartilage increased, which may be a concern, although the long-term consequences of such remain to be determined.

  12. Influence of carbon-based nanomaterials on lux-bioreporter Escherichia coli.

    PubMed

    Jia, Kun; Marks, Robert S; Ionescu, Rodica E

    2014-08-01

    The cytotoxic effects of carbon-based nanomaterials are evaluated via the induction of luminescent genetically engineered Escherichia coli bacterial cells. Specifically, two engineered E. coli bacteria strains of DPD2794 and TV1061 were incubated with aqueous dispersion of three carbon allotropes (multi-wall carbon nanotubes (MWCNTs), graphene nanosheets and carbon black nanopowders) with different concentrations and the resulting bioluminescence was recorded at 30°C and 25°C, respectively. The corresponding optical density changes of bacterial cells in the presence of various carbon nanomaterials were recorded as well. Based on these results, E. coli DPD2794 bacterial induction responds to a greater degree than E. coli TV1061 bacteria when exposed to various carbon-based nanomaterials. Finally, the surface morphology of E. coli DPD2794 bacteria cells before and after carbon-based nanomaterials treatment was observed using a field emission scanning electron microscope (FESEM), from which morphological changes from the presence of carbon-based nanomaterials were observed and discussed.

  13. Analysis of structure and dynamics of superfine polyhydroxybutyrate fibers for targeted drug delivery

    NASA Astrophysics Data System (ADS)

    Olkhov, A.; Kucherenko, E.; Pantyukhov, P.; Zykova, A.; Karpova, S.; Iordanskii, A.

    2017-02-01

    Creation of polymer matrix systems for targeted drug delivery into a living organism is a challenging problem of modern treatment of various diseases and injuries. Poly-3-hydroxybutyrate (PHB) is commonly used for development of therapeutic systems. The aim of this article is to examine the changes in structure and morphology of fibers in presence of dipyridamole (DPD) as model drug for controlled release. It was found that addition of dipyridamole led to disappearance of spindle-shaped nodules on fibers of PHB in comparison with pure PHB. The research of thermophysical parameters showed that specific melting enthalpy (and the degree of crystallinity) of PHB fibers increased with the addition of DPD. With the increasing of DPD content in PHB fibers, more perfect and equilibrium crystal structure was formed. According to analysis of intercrystalline regions of PHB fibers, it was found that as the crystallinity of PHB in intergranular regions rose, the corresponding decrease of radical rotation speed was observed. It was concluded that fibers of PHB can be used for creating therapeutic systems for targeted and prolonged drug delivery.

  14. Establishing a clinically relevant cutoff to the Dependency Scale from the dimensional clinical personality inventory.

    PubMed

    Carvalho, Lucas de F; Pianowski, Giselle; Filho, Nelson H

    2017-02-03

    The Clinical Dimensional Personality Inventory (IDCP) is a 163-item self-report tool developed for the assessment of 12 dimensions of personality pathology. One of the scales comprising the instrument-the Dependency scale-is intended to provide psychometric information on traits closely related to the Dependent Personality Disorder (DPD). In the present study, we used both Item Response Theory modeling and Receiver Operating Characteristic curve analysis to establishing a clinically meaningful cutoff for the IDCP Dependency Scale. Participants were 2.481 adults, comprised by outpatients diagnosed with DPD, outpatients diagnosed with other PDs, and adults from the general population. The Wright's item map graphing technique revealed that outpatients were located at the very high levels in the latent scale continuum of the Dependency Scale, with a very large effect size for the mean difference between patients and non-patients. The ROC curve analysis supported a cutoff at 2.3 points in the Dependency Scale, which yielded 0.86 of sensitivity and 0.79 of specificity. Findings from the present investigation suggest the IDCP Dependency Scale is useful as a screening tool of the core features of the DPD. We address potential clinical applications for the instrument, and discuss limitations from the present study.

  15. Autoinducer 2: a concentration-dependent signal for mutualistic bacterial biofilm growth

    USGS Publications Warehouse

    Rickard, A.H.; Palmer, R.J.; Blehert, D.S.; Campagna, S.R.; Semmelhack, M.F.; Egland, P.G.; Bassler, B.L.; Kolenbrander, P.E.

    2006-01-01

    4,5-dihydroxy-2,3-pentanedione (DPD), a product of the LuxS enzyme in the catabolism of S-ribosylhomocysteine, spontaneously cyclizes to form autoinducer 2 (AI-2). AI-2 is proposed to be a universal signal molecule mediating interspecies communication among bacteria. We show that mutualistic and abundant biofilm growth in flowing saliva of two human oral commensal bacteria, Actinomyces naeslundii T14V and Streptococcus oralis 34, is dependent upon production of AI-2 by S. oralis 34. A luxS mutant of S. oralis 34 was constructed which did not produce AI-2. Unlike wild-type dual-species biofilms, A. naeslundii T14V and an S. oralis 34 luxS mutant did not exhibit mutualism and generated only sparse biofilms which contained a 10-fold lower biomass of each species. Restoration of AI-2 levels by genetic or chemical (synthetic AI-2 in the form of DPD) complementation re-established the mutualistic growth and high biomass characteristic for the wild-type dual-species biofilm. Furthermore, an optimal concentration of DPD was determined, above and below which biofilm formation was suppressed. The optimal concentration was 100-fold lower than the detection limit of the currently accepted AI-2 assay. Thus, AI-2 acts as an interspecies signal and its concentration is critical for mutualism between two species of oral bacteria grown under conditions that are representative of the human oral cavity. ?? 2006 Blackwell Publishing Ltd.

  16. Transvaginal 3-d power Doppler ultrasound evaluation of the fetal brain at 10-13 weeks' gestation.

    PubMed

    Hata, Toshiyuki; Tanaka, Hirokazu; Noguchi, Junko

    2012-03-01

    The objective of this study was to measure the fetal brain volume (FBV) and vascularization and blood flow using transvaginal 3-D power Doppler (3DPD) ultrasound late in the first trimester of pregnancy. 3DPD ultrasound examinations with the VOCAL imaging analysis program were performed on 36 normal fetuses from 10-13 weeks' gestation. FBV and 3DPD indices related to the fetal brain vascularization (vascularization index [VI], flow index [FI] and vascularization flow index [VFI]) were calculated in each fetus. Intra- and interclass correlation coefficients and intra- and interobserver agreements of measurements were assessed. FBV was curvilinearly correlated well with the gestational age (R2 = 0.861, p < 0.0001). All 3-D power Doppler indices (VI, FI and VFI) showed no change at 10-13 weeks' gestation. FBV and all 3-D power Doppler indices (VI, FI and VFI) showed a correlation > 0.82, with good intra- and interobserver agreement. Our findings suggest that 3-D ultrasound is a superior means of evaluating the FBV in utero, and that 3-D power Doppler ultrasound histogram analysis may provide new information on the assessment of fetal brain perfusion.

  17. Bone Remodeling Monitor

    NASA Technical Reports Server (NTRS)

    Foucar, Charlie; Goldberg, Leslie; Hon, Bodin; Moore, Shannon; Williams, Evan

    2009-01-01

    The impact of bone loss due to different mechanical loadings in microgravity is a major concern for astronauts upon reintroduction to gravitational forces in exploration missions to the Moon and Mars. it has been shown that astronauts not only lose bone at differing rates, with levels up to 2% per month, but each astronaut will respond to bone loss treatments differently. Pre- and post-flight imaging techniques and frozen urine samples for post-flight laboratory immunoassays To develop a novel, non-invasive, highly . sensitive, portable, intuitive, and low-powered device to measure bone resorption levels in 'real time' to provide rapid and Individualized feedback to maximize the efficacy of bone loss countermeasures 1. Collect urine specimen and analyze the level of bone resorption marker, DPD (deoxypridinoline) excreted. 2. Antibodies specific to DPD conjugated with nanoshells and mixed with specimen, the change in absorbance from agglutination is measured by an optical device. 3. The concentration of DPD is displayed and recorded on a PDA

  18. Variabilidad de la Estación de Crecimiento en la Región Sur de Tamaulipas en condiciones climaticas actuales y futuras.

    NASA Astrophysics Data System (ADS)

    Medina-Barrios, M.; Conde-Alvarez, C.; Gay-Garcia, C.

    2007-05-01

    El impacto de la variabilidad y cambio climáticos, afectan el potencial agrícola de la Región Sur de Tamaulipas. Además de los cambios estacionales, bajos rendimientos agrícolas, el manejo de los cultivos y las políticas locales de producción, existe la incertidumbre del mercado regional para los pequeños y grandes productores. La diversificación agrícola ha sido una alternativa para enfrentar las condiciones imperantes en esta región. Pero ésta ha provocado la fragmentación territorial, por lo que sólo algunos productores logran competir en un mercado nacional. Existe una preocupación generalizada por buscar soluciones que permitan que la población que es afectada por la inseguridad de la producción agrícola y económica, pueda adaptarse a las variaciones climáticas que afectan el proceso productivo. La seguridad alimentaría queda sujeta a la fluctuación de las importaciones para los sectores básicos y a las estrategias mercantiles de empresas trasnacionales. La percepción local sugiere un número creciente de eventos climatológicos extremos, constantes y severos en los últimos 20 años, con el aumento creciente de pérdidas económicas. El análisis se centra en la disponibilidad de agua, agregándose un aspecto de capital importancia como es la variabilidad interanual de la lluvia, que condiciona muy fuertemente el riesgo agrícola en el trópico seco, siendo ésta la que determina el momento de inicio de la estación favorable para el crecimiento y su duración. En este trabajo se han obtenido modelos de la distribución espacial de la precipitación y temperaturas, para el escenario base 1961-1990, el escenario actual 1971-2000, para algunos años El Niño y La Niña, así como para los escenarios de Cambio Climático HADLEY, ECHAM y GFDL, con escenarios A2 y B2, para las décadas de los 20s y 50s, para establecer el inicio y duración de la Estación de Crecimiento, utilizando Sistemas de Información Geográfica (ArcView). Estos

  19. Alfabetización en Astronomía de docentes de Educación Primaria y de Educación Secundaria en La Plata

    NASA Astrophysics Data System (ADS)

    De Biasi, M. S.; Orellana, R. B.

    2014-10-01

    La educación de este siglo tiene como uno de sus retos alcanzar la alfabetización cientfica de todos los ciudadanos para que comprendan y tomen decisiones sobre el mundo natural y sus cambios originados por la actividad humana utilizando el conocimiento científico. En esta misión los docentes de los niveles obligatorios de enseñanza juegan un papel clave por su rol de agentes multiplicadores del conocimiento. Se requiere, entonces de una adecuada alfabetización en ciencias de los docentes o, como mínimo, que dominen los temas científicos a enseñar. En el campo de la Astronomía, numerosas investigaciones han señalado que maestros de primaria y estudiantes de profesorados poseen una escasa formación en estos temas (Camino 1995 y 1999, Gangui 2010), que frecuentemente presentan a los alumnos concepciones alternativas o no científicas de los fenómenos astronómicos cotidianos (Kriner 2004, Vega Navarro 2007, Gangui et al 2010); a lo que se suma la presentación confusa o errónea de algunos temas astronómicos en los textos escolares (Kriner 2004). Desde 2011, la Facultad de Ciencias Astronómicas y Geofísicas, UNLP, ofrece un curso de capacitación destinado a fortalecer y actualizar los contenidos académicos y didácticos de los docentes del distrito La Plata utilizando diversas estrategias didácticas. Los contenidos comprenden los temas astronómicos de los diseños curriculares vigentes. La evaluación diagnóstica de los conocimientos previos de los docentes cursantes sobre los contenidos de mayor presencia en los diseños curriculares mostró resultados similares a las investigaciones arriba mencionadas. Referente a los movimientos de la Tierra, en promedio, el 54% poseía conceptos erróneos y el 16% no los sabía; con referencia a la Luna el 56% poseía conceptos erróneos y un 4% no los sabía. Los resultados del curso mostraron que el 95% de los docentes revirtió sus conceptos previos erróneos, que adquirió criterios para la búsqueda de

  20. THE EFFECT OF PROBIOTIC FERMENTED MILK THAT INCLUDES BIFIDOBACTERIUM LACTIS CNCM I-2494 ON THE REDUCTION OF GASTROINTESTINAL DISCOMFORT AND SYMPTOMS IN ADULTS: A NARRATIVE REVIEW.

    PubMed

    Waitzberg, Dan L; Quilici, Flávio A; Michzputen, Sender; Friche Passos, Maria do Carmo

    2015-08-01

    Objetivo: determinar la eficacia de la leche fermentada con Bifidobacterium lactis CNCM I-2429 en la reducción de el malestar gastrointestinal (GI) en adultos sanos. Métodos: se realizó una búsqueda sistemática en la literatura para identificar estudios que informaron del uso de B. animalis spp. lactis para molestias/ confort GI en adultos sanos. Se identificaron un total de 5.329 registros, de estos se evaluaron 99 artículos de texto completo. Las búsquedas de ensayos adicionales se realizaron utilizando los nombres de los autores de cada estudio identificado y varias bases de datos relevantes. La selección de los estudios se llevó a cabo de acuerdo con las guías de Artículos de Información Preferidos para Revisiones Sistemáticas y Meta-Análisis (PRISMA). Los estudios eran incluidos si eran ensayos randomizados controlados, si los sujetos de estudio eran adultos sanos y si el grupo de intervención recibió B. lactis CNCM I-2494. Se excluyeron los estudios que no eran randomizados, que incluían adultos que no estaban sanos, que incluían el uso de cualquier otra intervención o si comparaban diferentes productos sin un grupo placebo. La calidad metodológica de los estudios se evaluó utilizando la Escala de Calidad de Oxford y la Evaluación Cochrane de ocultamiento. No fue posible un metaanálisis. Resultados: la estrategia de búsqueda identificó dos estudios que incluyeron un total de 538 mujeres sanas, con edades entre 18 a 60 años, de peso normal o sobrepeso (IMC de 18-30 kg/m2). En uno de los estudios las molestias GI disminuyeron significativamente en el grupo de probióticos frente al grupo control, sin diferencias en el otro. El porcentaje de respondedores para el bienestar GI fue mayor en el grupo de probióticos frente al grupo control en el primer estudio, pero no en el segundo. Los síntomas GI se redujeron significativamente en el grupo probiótico frente al grupo control en ambos estudios. La función intestinal solo se evaluó en

  1. Presentación del estudio “Links” de hombres que tienes sexo con hombres en Buenos Aires, Argentina

    PubMed Central

    Carballo-Diéguez, Alex; Ávila, María M; Balán, Iván C.; Marone, Rubén; Pando, María A.; Barreda, Victoria

    2011-01-01

    Resumen Estudios previos en Buenos Aires reportaron altas prevalencias de HIV entre HSH, con valores que oscilan entre 9 y 14% durante casi 10 años de continuo testeo. El objetivo principal de este estudio fue la evaluación de factores relacionados al comportamiento de alto riesgo para transmisión del HIV entre HSH entre los que se incluyen el conocimiento y factores emocionales, socioculturales y ambientales. Por otro lado se realizó la estimación de prevalencia e incidencia de HIV utilizando RDS (Respondent Driven Sampling), así como la presencia de otras infecciones de transmisión sexual. Por último se evaluaron los hábitos de testeo para HIV indagando que factores facilitan o impiden su realización. El estudio constó de dos fases, en primer lugar una fase cualitativa y posteriormente una fase cuantitativa con una duración total de 4 años y medio. Durante la fase cualitativa se realizaron 44 entrevistas individuales en profundidad, 8 grupos focales y 10 observaciones etnográficas (hoteles, baños públicos (“teteras”), cines pornográficos, fiestas privadas, dark rooms y discotecas). Durante la fase cuantitativa del estudio se realizó el reclutamiento de 500 participantes que provinieron de la Ciudad Autónoma de Buenos Aires, así como del Gran Buenos Aires. El reclutamiento se comenzó con 16 participantes llamados semillas. Se realizó el diagnóstico de infección por HIV, hepatitis B y C (HBV y HCV), Treponema pallidum, Virus Papiloma Humano (HPV) y Chlamidias. La colaboración establecida entre los grupos de trabajo enfocados en áreas diversas posibilitó el abordaje conjunto de nuevas estrategias de investigación antes no exploradas en nuestro país. Los resultados más relevantes de esta investigación serán progresivamente publicados en sucesivos números de Actualizaciones en SIDA. PMID:25264397

  2. [EFFECTS OF INGESTING CARBOHYDRATE-PROTEIN SUPPLEMENTS DURING EXERCISE ON ENDURANCE PERFORMANCE: A SYSTEMATIC REVIEW].

    PubMed

    Espino-González, Ever; Muñoz-Daw, María de Jesús; Candia-Lujan, Ramon

    2015-11-01

    Introducción: las bebidas deportivas ayudan a mejorar el rendimiento físico de forma significativa debido a su aporte de carbohidratos, electrolitos y agua. Sin embargo, en las últimas décadas se ha encontrado que ingerir una bebida deportiva con proteína durante el ejercicio mejora el rendimiento físico, produce menores pérdidas de peso corporal inducidas por la deshidratación y ayuda a disminuir el daño muscular postejercicio en comparación con una bebida únicamente con carbohidratos y electrolitos. Objetivo: analizar los principales estudios sobre la efectividad de la ingesta de un suplemento con carbohidratos, proteína y electrolitos durante el ejercicio. Método: se realizó una búsqueda automatizada en Google académico, EBSCO, PubMEd y Scopus, utilizando las palabras clave: Carbohydrate-protein and performance y Added protein and sports drink. Se evaluó la calidad metodológica de los ensayos y se tomó en cuenta que la ingesta del suplemento fuera durante el ejercicio. Resultados: de los veinte artículos que se incluyeron, trece obtuvieron resultados en los que la ingesta de una bebida deportiva con proteína generó mejoras significativas en el rendimiento físico en comparación con una bebida únicamente con carbohidratos y electrolitos, o un placebo. Discusión: aumentar el contenido calórico de las bebidas deportivas al agregar proteína es probablemente una estrategia más efectiva en comparación con disminuir el contenido de carbohidratos para igualar la cantidad de energía. Conclusiones: el consumo de proteína durante el ejercicio posiblemente sirva como una ayuda ergogénica, retardando el tiempo hasta llegar al agotamiento. Sin embargo, hace falta más evidencia que así lo demuestre.

  3. Anthropometric indicators of obesity as predictors of cardiovascular risk in the elderly.

    PubMed

    Vidal Martins, Marcos; Queiroz Ribeiro, Andréia; Martinho, Karina Oliveira; Silva Franco, Fernanda; Danésio de Souza, Jacqueline; Bacelar Duarte de Morais, Keila; Gonçalves Leite, Isabel Cristina; Araújo Tinôco, Adelson Luiz

    2015-06-01

    Introducción: diversos indicadores antropométricos se pueden utilizar como predictores de riesgo cardiovascular en los ancianos. Objetivo: evaluar la capacidad predictiva de las medidas antropométricas en la identificación de riesgo cardiovascular en pacientes ancianos en la Estrategia Salud de la Familia de Viçosa-MG. Metodología: se realizó un estudio epidemiológico transversal con 349 ancianos. El riesgo cardiovascular se calculó mediante la relación de los niveles de triglicéridos con niveles de HDL-colesterol (TG / HDL-c). Las variables antropométricas medidas fueron: circunferencia de la cintura, índice de masa corporal, relación cintura-altura e índice de conicidad. Se realizó una evaluación bioquímica de triglicéridos y HDL-colesterol. Las mediciones antropométricas también estaban relacionados con el riesgo cardiovascular utilizando la característica (ROC) Curvas Receiver Operating. Resultados: los resultados observados indican que todos estos índices antropométricos se pueden usar para predecir el riesgo cardiovascular en los hombres. Sin embargo, en las mujeres, solo el IMC mostró capacidad predictiva. Los puntos de corte identificados aparecieron muy cerca de los puntos de corte recomendados y reconocidos en otros estudios, con la excepción de la circunferencia de la cintura, que se mide en el punto medio entre la última costilla y la cresta ilíaca, que mostró una diferencia considerable. Conclusión: todos los índices antropométricos se pueden usar para predecir el riesgo cardiovascular en hombres y mujeres. La circunferencia de la cintura en el punto medio entre la última costilla y la cresta ilíaca era la mejor medida antropométrica para predecir el riesgo cardiovascular en los varones y la circunferencia de cintura más pequeña y cintura-altura fueron las mejores medidas antropométricas en las mujeres.

  4. Presentación del estudio "Links" de hombres que tienes sexo con hombres en Buenos Aires, Argentina.

    PubMed

    Carballo-Diéguez, Alex; Avila, María M; Balán, Iván C; Marone, Rubén; Pando, María A; Barreda, Victoria

    2011-03-01

    Estudios previos en Buenos Aires reportaron altas prevalencias de HIV entre HSH, con valores que oscilan entre 9 y 14% durante casi 10 años de continuo testeo. El objetivo principal de este estudio fue la evaluación de factores relacionados al comportamiento de alto riesgo para transmisión del HIV entre HSH entre los que se incluyen el conocimiento y factores emocionales, socioculturales y ambientales. Por otro lado se realizó la estimación de prevalencia e incidencia de HIV utilizando RDS (Respondent Driven Sampling), así como la presencia de otras infecciones de transmisión sexual. Por último se evaluaron los hábitos de testeo para HIV indagando que factores facilitan o impiden su realización. El estudio constó de dos fases, en primer lugar una fase cualitativa y posteriormente una fase cuantitativa con una duración total de 4 años y medio. Durante la fase cualitativa se realizaron 44 entrevistas individuales en profundidad, 8 grupos focales y 10 observaciones etnográficas (hoteles, baños públicos ("teteras"), cines pornográficos, fiestas privadas, dark rooms y discotecas). Durante la fase cuantitativa del estudio se realizó el reclutamiento de 500 participantes que provinieron de la Ciudad Autónoma de Buenos Aires, así como del Gran Buenos Aires. El reclutamiento se comenzó con 16 participantes llamados semillas. Se realizó el diagnóstico de infección por HIV, hepatitis B y C (HBV y HCV), Treponema pallidum, Virus Papiloma Humano (HPV) y Chlamidias. La colaboración establecida entre los grupos de trabajo enfocados en áreas diversas posibilitó el abordaje conjunto de nuevas estrategias de investigación antes no exploradas en nuestro país. Los resultados más relevantes de esta investigación serán progresivamente publicados en sucesivos números de Actualizaciones en SIDA.

  5. [STRATEGIES TO IMPROVE THE NUTRITIONAL AND HEALTH CHARACTERISTICS OF MEAT PIE OF MURCIA].

    PubMed

    Ruiz-Cano, Domingo; Zamora, Salvador; Frutos, María José; López-Jiménez, José Ángel; Pérez-Llamas, Francisca

    2015-12-01

    Objetivos: mejorar la composición nutritiva y las características saludables del pastel de carne de Murcia (PCM), manteniendo sus apreciadas cualidades organolépticas y el diseño de un PCM funcional, mediante la adición de un ingrediente natural rico en fuctooligosacáridos. Métodos: mediante cambios relacionados con el tipo y cantidad de algunos de sus ingredientes se han elaborado diversas formulaciones del PCM (PCM saludable y PCM funcional). Se ha determinado la composición nutritiva, el valor calórico, el perfil de ácidos grasos y la calidad de la grasa. Además, se han valorado diversos atributos sensoriales y la aceptación global utilizando una escala descriptiva hedónica de nueve puntos. Resultados y discusión: el PCM saludable presenta un menor contenido de energía (15,4%), grasa total (39%), grasa saturada (48%) y sal (45%), así como una disminución de la potencial capacidad aterogénica (27%), trombogénica (30%) e hipercolesterolémica (30%) que el PCM tradicional. De las cuatro cantidades ensayadas (2,5, 5, 10 y 15%), solo la sustitución del 2,5 y 5% del ingrediente funcional no disminuyeron la aceptación global del PCM funcional, en comparación con el PCM tradicional. Conclusiones: los cambios en la formulación han mejorado la composición nutritiva y las características saludables del PCM tradicional, manteniendo sus cualidades organolépticas. El PCM funcional, elaborado con el ingrediente funcional al 5%, representa una mejora factible en las características funcionales del alimento estudiado. Estas estrategias contribuyen a mantener este tipo de alimentos tradicionales y a evitar la pérdida en la cultura, identidad y herencia gastronómica de España en general y de la Región de Murcia en particular.

  6. [Effect of consumption of bread with amaranth (Amaranthus dubius Mart. ex Thell.) on glycemic response and biochemical parameters in Sprague dawley rats].

    PubMed

    Montero-Quintero, Keyla Carolina; Moreno-Rojas, Rafael; Molina, Edgar Alí; Colina-Barriga, Máximo Segundo; Sánchez-Urdaneta, Adriana Beatriz

    2014-11-01

    Introducción: La incorporación de ingredientes funcionales como el amaranto (Amaranthus dubius Mart. ex Thell.) en la elaboración de pan es una estrategia para aumentar el consumo de fibra, el cual está relacionado con efectos beneficiosos para la salud, mejorando la respuesta glicémica y el perfil lipídico. Materiales y métodos: Treinta ratas machos Sprague dawley se distribuyeron al azar en tres grupos: dieta de pan con 0% de amaranto (PA0, control), dieta de pan con 10% de amaranto (PA10) y dieta de pan con 20% de amaranto (PA20) para determinar el consumo de alimento, ganancia en peso, triglicéridos, colesterol total, VLDL-C, LDL-C, HDL-C, proteínas y la respuesta glicémica postpandrial. Los datos fueron analizados a través de un análisis completamente aleatorizado con 10 repeticiones, utilizando la prueba de comparación de medias de Tukey para los parámetros bioquímicos. La respuesta glicémica postprandial fue analizada por el método de medidas repetidas en el tiempo. Resultados y discusión: La ingesta diaria y la ganancia de peso no se afecto (p>0,05) en los grupos con PA10 y PA20. La concentración de glucosa, triglicéridos y proteína presentó diferencias estadísticamente significativas (p>0,05) por la diferencia de contenido de amaranto de las dietas. Los valores de colesterol total, LDL-C, factor de riesgo e índice aterogénico presentaron diferencias estadísticamente significativas (p>0,05) resultando el grupo de menor valor el formado por PA10 y PA20. En los grupos PA10 y PA20 el pico de hiperglucemia y la fase de hiperglucemia total fue más bajo, mostrando una mejor respuesta glicémica. Conclusión: el amaranto podría ser utilizado como ingrediente funcional en la elaboraciones de panes ya que permitió mejorar el perfil lipídico así como la respuesta glicémica postpandrial.

  7. Comunicación de pareja y VIH en mujeres en desventaja social

    PubMed Central

    Rosina Cianelli, A.; Lilian Ferrer, L.; Margarita Bernales, S.; Natalia Villegas, R.

    2009-01-01

    Introducción La epidemia de VIH y SIDA se ha diseminado rápidamente a nivel mundial tendiendo a la feminización, pauperización y heterosexualización. La comunicación de pareja en torno el VIH es descrita como uno de los factores protectores en la adquisición de esta enfermedad, favoreciendo la adopción de conductas sexuales seguras tales como la negociación de pareja y la utilización de preservativo, consideróndose como un pilar fundamental en la incorporación de medidas de autocuidado en la sexualidad femenina. Objetivo Determinar el nivel de comunicación de pareja en torno al VIH en mujeres chilenas en desventaja social. Metodología Cuatrocientas noventa y seis mujeres contestaron la entrevista inicial de la investigación “Testing an HIV/AIDS Prevention Intervention for Chilean Women” (RO1 TW 006977 PI Cianelli). Se utilizó la escala “Health protective sexual communication scale (HPC)” (0–10 puntos). Se realizó un análisis descriptivo utilizando el programa SPSS 16.0. Resultados El promedio del nivel de comunicación de pareja fue de 3,26 ± 2,7 puntos con la pareja principal, de 2,52 ± 2,48 puntos con una segunda pareja y de 0 puntos con una tercera pareja. Los temas de menor comunicación entre las parejas fueron el uso de preservativo y la realización del test para VIH antes de tener relaciones sexuales. Conclusión Las mujeres de la muestra presentan bajos niveles de comunicación de pareja en relación a VIH con todas sus parejas sexuales. Son necesarias estrategias que potencien este tópico dentro de las intervenciones de prevención de VIH y SIDA de manera de fortalecer la adopción de conductas de autocuidado en torno al tema. PMID:19936328

  8. Pharmacokinetics of 5-fluorouracil and increased hepatic dihydropyrimidine dehydrogenase activity levels in 1,2-dimethylhydrazine-induced colorectal cancer model rats.

    PubMed

    Kobuchi, Shinji; Ito, Yukako; Okada, Kae; Imoto, Kazuki; Takada, Kanji

    2013-09-01

    To investigate the hepatic dihydropyrimidine dehydrogenase (DPD) activity in colorectal cancer (CRC), which is critically important to create a patient-specific dosing regimen, we performed 5-FU pharmacokinetic studies in 1,2-dimethylhydrazine-induced CRC model rats (CRC rats). After rats received 5-FU intravenous (IV) bolus injections, the area under the plasma concentration-time curve (AUC) and elimination half-life (t 1/2) in CRC rats (10.02 ± 0.37 μg h mL(-1), 0.30 ± 0.02 h, respectively) were significantly lower than that in control rats (13.46 ± 1.20 μg h mL(-1), 0.52 ± 0.05 h, respectively), whereas total plasma clearance (CLtot) in CRC rats (2.01 ± 0.07 L h(-1) kg(-1)) was significantly increased compared with that in control rats (1.54 ± 0.14 L h(-1) kg(-1)). Conversely, the avoidance ratio of the hepatic first-pass effect was approximately 20 % lower than that in control rats. Of interest is that hepatic DPD activity levels and the dihydrouracil-uracil ratio (UH2/Ura ratio) in plasma, which may act as a potential biomarker to evaluate hepatic DPD activity levels, were significantly increased in CRC rats. These results suggest that the decrease of hepatic availability in CRC rats is brought about by the increase in intrinsic clearance induced by the increase in DPD activity, resulting in a decrease in AUC and t 1/2 and an increase in CLtot after 5-FU IV bolus injection. Along with a proper dosing regimen for patients with CRC, a hepatic DPD activity monitoring system, such as the determination of UH2/Ura ratio in plasma, is desirable.

  9. Cardiovascular diseases in older patients with osteoporotic hip fracture: prevalence, disturbances in mineral and bone metabolism, and bidirectional links

    PubMed Central

    Fisher, A; Srikusalanukul, W; Davis, M; Smith, P

    2013-01-01

    Background Considerable controversy exists regarding the contribution of mineral/bone metabolism abnormalities to the association between cardiovascular diseases (CVDs) and osteoporotic fractures. Aims and methods To determine the relationships between mineral/bone metabolism biomarkers and CVD in 746 older patients with hip fracture, clinical data were recorded and serum concentrations of parathyroid hormone (PTH), 25-hydroxyvitamin D, calcium, phosphate, magnesium, troponin I, parameters of bone turnover, and renal, liver, and thyroid functions were measured. Results CVDs were diagnosed in 472 (63.3%) patients. Vitamin D deficiency was similarly prevalent in patients with (78.0%) and without (82.1%) CVD. The CVD group had significantly higher mean PTH concentrations (7.6 vs 6.0 pmol/L, P < 0.001), a higher prevalence of secondary hyperparathyroidism (SPTH) (PTH > 6.8 pmol/L, 43.0% vs 23.3%, P < 0.001), and excess bone resorption (urinary deoxypyridinoline corrected by creatinine [DPD/Cr] > 7.5 nmol/μmol, 87.9% vs 74.8%, P < 0.001). In multivariate regression analysis, SHPT (odds ratio [OR] 2.6, P = 0.007) and high DPD/Cr (OR 2.8, P = 0.016) were independent indictors of CVD. Compared to those with both PTH and DPD/Cr in the normal range, multivariate-adjusted ORs for the presence of CVD were 17.3 (P = 0.004) in subjects with SHPT and 9.7 (P < 0.001) in patients with high DPD/Cr. CVD was an independent predicator of SHPT (OR 2.8, P = 0.007) and excess DPD/Cr (OR 2.5, P = 0.031). CVD was predictive of postoperative myocardial injury, while SHPT was also an independent predictor of prolonged hospital stay and in-hospital death. Conclusion SHPT and excess bone resorption are independent pathophysiological mediators underlying the bidirectional associations between CVD and hip fracture, and therefore are important diagnostic and therapeutic targets. PMID:23460043

  10. Longitudinal Study of Hepatitis A Infection by Saliva Sampling: The Kinetics of HAV Markers in Saliva Revealed the Application of Saliva Tests for Hepatitis A Study.

    PubMed

    Amado Leon, Luciane Almeida; de Almeida, Adilson José; de Paula, Vanessa Salete; Tourinho, Renata Santos; Villela, Daniel Antunes Maciel; Gaspar, Ana Maria Coimbra; Lewis-Ximenez, Lia Laura; Pinto, Marcelo Alves

    2015-01-01

    Despite the increasing numbers of studies investigating hepatitis A diagnostic through saliva, the frequency and the pattern of hepatitis A virus (HAV) markers in this fluid still remains unknown. To address this issue, we carried on a longitudinal study to examine the kinetics of HAV markers in saliva, in comparison with serum samples. The present study followed-up ten patients with acute hepatitis A infection during 180 days post diagnosis (dpd). Total anti-HAV was detected in paired serum and saliva samples until the end of the follow-up, showing a peak titer at 90th. However, total anti-HAV level was higher in serum than in saliva samples. This HAV marker showed a probability of 100% to be detected in both serum and saliva during 180 dpd. The IgM anti-HAV could be detected in saliva up to 150 dpd, showing the highest frequency at 30th, when it was detected in all individuals. During the first month of HAV infection, this acute HAV marker showed a detection probability of 100% in paired samples. The detection of IgM anti-HAV in saliva was not dependent on its level in serum, HAV-RNA detection and/or viral load, since no association was found between IgM anti-HAV positivity in saliva and any of these parameter (p>0.05). Most of the patients (80%) were found to contain HAV-RNA in saliva, mainly at early acute phase (30th day). However, it was possible to demonstrate the HAV RNA presence in paired samples for more than 90 days, even after seroconversion. No significant relationship was observed between salivary HAV-RNA positivity and serum viral load, demonstrating that serum viral load is not predictive of HAV-RNA detection in saliva. Similar viral load was seen in paired samples (on average 104 copies/mL). These data demonstrate that the best diagnostic coverage can be achieved by salivary anti-HAV antibodies and HAV-RNA tests during 30-90 dpd. The long detection and high probability of specific-HAV antibodies positivity in saliva samples make the assessment of

  11. Added Value of 3D Proton-Density Weighted Images in Diagnosis of Intracranial Arterial Dissection

    PubMed Central

    Kim, Jin Woo; Kim, Young Dae; Lee, Seung-Koo; Lim, Soo Mee; Oh, Se Won

    2016-01-01

    Background An early and reliable diagnosis of intracranial arterial dissection is important to reduce the risk of neurological complication. The purpose of this study was to assess the clinical usefulness of three-dimensional high-resolution MRI (3D-HR-MRI) including pre- and post-contrast T1-weighted volumetric isotropic turbo spin echo acquisition with improved motion-sensitized driven equilibrium preparation (3D-iMSDE-T1) and proton-density weighted image (3D-PD) in detecting dissection and to evaluate the added value of 3D-PD in diagnosing intracranial arterial dissection. Methods We retrospectively recruited patients who underwent 3D-HR-MRI with clinical suspicion of arterial dissection. Among them, we selected patients who were diagnosed with definite dissection according to the Spontaneous Cervicocephalic Arterial Dissections Study criteria. For each patient, the presence of intimal flap, intramural hematoma, and vessel dilatation were evaluated independently by two neuroradiologists on each sequence. Interobserver agreement was assessed. Results Seventeen patients (mean age: 41 ± 10 [SD] years; 13 men) were diagnosed with definite dissection. The intimal flaps were more frequently detected on 3D-PD (88.2%, 15/17) than on 3D-iMSDE-T1 (29.4%, 5/17), and post-contrast 3D-iMSDE-T1 (35.3%, 6/17; P = 0.006 and P = 0.004, respectively). No significant difference was found in the detection rate of intramural hematomas (59–71%) and vascular dilatations (47%) on each sequence. Interobserver agreement for detection of dissection findings showed almost perfect agreement (k = 0.84–1.00), except for detection of intimal flaps on pre-contrast 3D-iMSDE-T1 (k = 0.62). After addition of 3D-PD to pre- and post-contrast 3D-iMSDE-T1, more patients were diagnosed with definite dissection with the initial MRI (88.2% vs. 47.1%; P = 0.039). Conclusions The intimal flap might be better visualized on the 3D-PD sequence than the 3D-iMSDE-T1 sequences, allowing diagnosis of

  12. [Subjective memory complaints, perceived stress and coping strategies in young adults].

    PubMed

    Molina-Rodriguez, Sergio; Pellicer-Porcar, Olga; Mirete-Fructuoso, Marcos; Martinez-Amoros, Estefanía

    2016-04-16

    Introduccion. Las quejas subjetivas de memoria son cada vez mas frecuentes entre los adultos jovenes. En la actualidad, no existe bibliografia que analice la relacion entre las quejas de memoria, el estres percibido y las estrategias de afrontamiento de forma conjunta en adultos jovenes. Objetivo. Determinar la contribucion del estres percibido y diferentes estrategias de afrontamiento sobre las quejas subjetivas de memoria en adultos jovenes sanos. Sujetos y metodos. La muestra estuvo compuesta por 299 universitarios, el 71,6% mujeres, con una edad media de 22,54 ± 4,73 años. La variable 'quejas de memoria' se midio con el cuestionario de fallos de memoria; la variable 'estres percibido', con la escala de estres percibido, y las variables referidas a estrategias de afrontamiento, con el inventario de estrategias de afrontamiento. Resultados. Las variables que presentan una mayor aportacion a la varianza de las quejas de memoria son, en primer lugar, estres percibido y estrategias de afrontamiento positivas centradas en el problema, y, en segundo lugar, estrategias de afrontamiento negativas centradas en la emocion y en el problema. Las estrategias de afrontamiento positivas centradas en la emocion presentan una aportacion nula. Conclusion. Una vez mas se evidencia la influencia del estres sobre los procesos de memoria. El empleo de estrategias de afrontamiento positivas centradas en el problema, como la reestructuracion cognitiva y la resolucion de problemas, puede resultar beneficioso para atenuar la presencia de quejas de memoria, y es necesario realizar una mayor investigacion al respecto.

  13. Building ESP Content-Based Materials to Promote Strategic Reading (Diseño de materiales basados en contenidos para fomentar estrategias de lectura en un curso de inglés con propósitos específicos)

    ERIC Educational Resources Information Center

    Bautista Barón, Myriam Judith

    2013-01-01

    This article reports on an action research project that proposes to improve the reading comprehension and vocabulary of undergraduate students of English for Specific Purposes--explosives majors, at a police training institute in Colombia. I used the qualitative research method to explore and reflect upon the teaching-learning processes during…

  14. Cuidado de Ninos con Necesidades Especiales en el Hogar: Manual de Estrategias y Actividades para Proveedores que Cuidan Ninos en Sus Hogares (Children with Special Needs in Family Day Care Homes: A Handbook of Approaches and Activities for Family Day Care Home Providers).

    ERIC Educational Resources Information Center

    de la Brosse, Beatrice

    Practical information and sample teaching activities for child caregivers who work with young developmentally disabled children in family day care settings are provided in this manual. Each chapter shares a typical experience a caregiver may have with a particular child. Chapter 1 focuses on getting to know a new child, initial expectations, and…

  15. Using Case Study Methodology to Approach the Views of Teachers of English on Classroom Disciplinary Strategies (Uso de la metodología de estudio de casos para aproximarse a las concepciones de profesores de inglés sobre las estrategias disciplinarias en el aula)

    ERIC Educational Resources Information Center

    Díaz Larenas, Claudio

    2012-01-01

    This qualitative study aims at identifying the disciplinary strategies claimed to be used by a group of five secondary classroom teachers of English in public or semi-public schools in Chile. To conduct this research, a semi-structured interview was applied to participants. The data were analyzed using the principles of semantic content analysis…

  16. Improving Eleventh Graders' Reading Comprehension through Text Coding and Double Entry Organizer Reading Strategies (Mejoramiento de la comprensión lectora de estudiantes de grado once mediante las estrategias de lectura de codificación de texto y organizador de doble entrada)

    ERIC Educational Resources Information Center

    Mahecha, Rocío; Urrego, Stella; Lozano, Erika

    2011-01-01

    In this article we report on an innovation project developed with a group of eleventh graders at a public school in Bogotá. Its aim was to encourage students to improve reading comprehension of texts in English. It was conducted taking into account students' needs, interests and level of English. To do it, we implemented two reading strategies:…

  17. Exploring Knowledge of English Speaking Strategies in 8th and 12th Graders (Exploración del conocimiento de las estrategias de expresión oral en inglés en estudiantes de los grados octavo y doceavo)

    ERIC Educational Resources Information Center

    Diaz Larenas, Claudio

    2011-01-01

    This article presents a research study that analyses eighth and twelfth graders' knowledge of speaking strategies to communicate in English. The Oral Communication Strategy Inventory, developed by Nakatani in 2006, was applied to 108 students belonging to the public, semi-public and private educational sectors in Chile. The findings show that 8th…

  18. "On Air": Participation in an Online Radio Show to Foster Speaking Confidence. A Cooperative Learning-Based Strategies Study ("Al aire": participación en un programa de radio en línea para fomentar la confianza al hablar. Un estudio basado en estrategias de aprendizaje cooperativo)

    ERIC Educational Resources Information Center

    Lemos Tello, Nubia Consuelo

    2012-01-01

    The daily observation of class sessions has enabled me to recognize that students possess a feeling of self-distrust in oral activities. For this reason, I designed a study carried out with a group of twelve eighth graders. This article illustrates an action research project conducted to enhance students' confidence when speaking on an online…

  19. Effects of Strategy Instruction in an EFL Reading Comprehension Course: A Case Study (Efectos de la instrucción de estrategias en un curso de comprensión de lectura en inglés como lengua extranjera: un estudio de caso)

    ERIC Educational Resources Information Center

    Lopera Medina, Sergio

    2012-01-01

    Strategy instruction is useful in teaching contexts. This paper examines the effects of strategy instruction in an EFL reading comprehension course carried out with 26 undergraduate students at a Colombian university. As a research method, a case study was implemented. There were three instruments with which to collect data: reading comprehension…

  20. Smoothed dissipative particle dynamics with angular momentum conservation

    SciTech Connect

    Müller, Kathrin Fedosov, Dmitry A. Gompper, Gerhard

    2015-01-15

    Smoothed dissipative particle dynamics (SDPD) combines two popular mesoscopic techniques, the smoothed particle hydrodynamics and dissipative particle dynamics (DPD) methods, and can be considered as an improved dissipative particle dynamics approach. Despite several advantages of the SDPD method over the conventional DPD model, the original formulation of SDPD by Español and Revenga (2003) [9], lacks angular momentum conservation, leading to unphysical results for problems where the conservation of angular momentum is essential. To overcome this limitation, we extend the SDPD method by introducing a particle spin variable such that local and global angular momentum conservation is restored. The new SDPD formulation (SDPD+a) is directly derived from the Navier–Stokes equation for fluids with spin, while thermal fluctuations are incorporated similarly to the DPD method. We test the new SDPD method and demonstrate that it properly reproduces fluid transport coefficients. Also, SDPD with angular momentum conservation is validated using two problems: (i) the Taylor–Couette flow with two immiscible fluids and (ii) a tank-treading vesicle in shear flow with a viscosity contrast between inner and outer fluids. For both problems, the new SDPD method leads to simulation predictions in agreement with the corresponding analytical theories, while the original SDPD method fails to capture properly physical characteristics of the systems due to violation of angular momentum conservation. In conclusion, the extended SDPD method with angular momentum conservation provides a new approach to tackle fluid problems such as multiphase flows and vesicle/cell suspensions, where the conservation of angular momentum is essential.

  1. Variability of collagen crosslinks: impact of sample collection period.

    PubMed

    Smith, S M; Dillon, E L; DeKerlegand, D E; Davis-Street, J E

    2004-04-01

    Because of the variability of collagen crosslinks, their use as markers for bone resorption is often criticized. We hypothesized that the variability could be reduced by collecting urine for 24 hours (or longer) instead of using single voids, and by not normalizing to creatinine. Urine samples were collected from 22 healthy subjects during two or more 24-hour periods. Each 24-hour pool and each 2nd void of the day were analyzed for N-telopeptide (NTX), pyridinium (PYD), and deoxypyridinoline (DPD) crosslinks. Data were analyzed by using linear regression. For NTX, R2 for the two, 2nd-void samples (n = 38) was 0.55, whereas R2 for the two 24-hour pools was 0.51 or 0.52, expressed per day or per creatinine. For PYD and DPD, R2 for the 2nd-void samples was 0.26 and 0.18, R2 for the 24-hour pools expressed per day was 0.58 and 0.74, and R2 for the 24-hour pools expressed per creatinine was 0.65 and 0.76, respectively. Regression of the 2nd void and the corresponding 24-hour pool, expressed per day, yielded R2 = 0.19, 0.19, and 0.08, for NTX, PYD, and DPD, respectively (n = 76 each). For the 2nd-void sample and its corresponding 24-hour pool, expressed per creatinine, R2 = 0.24, 0.33, and 0.08, respectively. In a separate study, the coefficient of variation for NTX was reduced (P < 0.05) when data from more than one 24-hour collection were combined. Thus, the variability inherent in crosslink determinations can be reduced by collecting urine for longer periods. In research studies, the high variability of single-void collections, compounded by creatinine normalization, may alter or obscure findings.

  2. Effects of raloxifene and estradiol on bone turnover parameters in intact and ovariectomized rats.

    PubMed

    Canpolat, S; Tug, N; Seyran, A D; Kumru, S; Yilmaz, B

    2010-03-01

    This study was designed to investigate effects of raloxifene (RLX) and estradiol on bone formation and resorption in intact and ovariectomized (ovx) rat models. In the intact model, a total of 24 adult female rats were divided into three groups: Controls subcutaneously received saline alone. RLX (2 mg/kg) and estradiol (30 microg/kg) were injected to two groups of animals for a period of 6 weeks at two daily intervals. In the second model, rats (n = 24) were ovx and allowed to recover for a period of at least 3 weeks. Control group received vehicle alone. Remaining rats were divided into two groups and injected with RLX (2 mg/kg) and estradiol (30 microg/kg) for 6 weeks. Urine samples were collected from all animals 24 h after the last drug administration. Urinary deoxypyridinoline (DPD) was measured by ELISA. Serum parathyroid hormone (PTH), calcitonin, and osteocalcin levels were measured by immunoradiometric method. Serum concentrations of alkaline phosphatase (ALP), Ca, and inorganic phosphate were determined by enzymatic-colorimetric method. Lumbar vertebrae (L2) of all animals were dissected out and processed for histopathological evaluation. Removal of ovaries significantly elevated urinary DPD levels (p < 0.01) compared with intact controls. Treatment of both intact and ovx rats with estradiol resulted in significant decreases (p < 0.01) in DPD values. RLX administration had no significant effect in the intact rats, but it remarkably reduced bone turnover in the ovx animals (p < 0.001). Both estradiol and RLX produced conflicting effects on serum ALP, osteocalcin, and PTH levels in both animal models. These findings suggest that RLX exerts its protective effects by reducing bone resorption, similar to that of estradiol, in ovx rats.

  3. Force Sensor-less Workspace Virtual Impedance Control Considering Resonant Vibration for Industrial Robot

    NASA Astrophysics Data System (ADS)

    Tungpataratanawong, Somsawas; Ohishi, Kiyoshi; Miyazaki, Toshimasa; Katsura, Seiichiro

    The motion control paradigm provides sufficient performance in many elementary industrial tasks. However, only stiff motion the robot cannot accommodate the interaction force under constrained motion. In such situation, the robot is required to perform interaction behavior with the environment. The conventional impedance control schemes require force-sensing devices to feedback force signals to the controllers. The force-sensing device is therefore indispensable and the performance of the system also depends on the quality of this device. This paper proposes a novel strategy for force sensor-less impedance control using disturbance observer and dynamic model of the robot to estimate the external force. In motion task, the robust D-PD (derivative-PD) control is used with feedforward inverse-dynamic torque compensation to ensure robustness and high-speed response with flexible joint model. When robot is in contact with environment, the proposed force sensor-less scheme impedance control with inner-loop D-PD control is utilized. D-PD control uses both position and speed as the references to implement the damping and stiffness characteristic of the virtual impedance model. In addition, the gravity and friction force-feedback compensation is computed by the same dynamic model, which is used in external force estimation. The flexible-joint robot model is utilized in both disturbance observer and motion control design. The workspace impedance control for robot interaction with human operator is implemented on the experimental setup three-degree-of-freedom (3-DOF) robot manipulator to assure the ability and performance of the proposed force sensor-less scheme for flexible-joint industrial robot.

  4. Changes in markers of bone formation and resorption in a bed rest model of weightlessness

    NASA Technical Reports Server (NTRS)

    Lueken, S. A.; Arnaud, S. B.; Taylor, A. K.; Baylink, D. J.

    1993-01-01

    To study the mechanism of bone loss in physical unloading, we examined indices of bone formation and bone resorption in the serum and urine of eight healthy men during a 7 day -6 degrees head-down tilt bed rest. Prompt increases in markers of resorption--pyridinoline (PD), deoxypyridinoline (DPD), and hydroxyproline (Hyp)/g creatinine--during the first few days of inactivity were paralleled by tartrate-resistant acid phosphatase (TRAP) with significant increases in all these markers by day 4 of bed rest. An index of formation, skeletal alkaline phosphatase (SALP), did not change during bed rest and showed a moderate 15% increase 1 week after reambulation. In contrast to SALP, serum osteocalcin (OC) began increasing the day preceding the increase in Hyp, remained elevated for the duration of the bed rest, and returned to pre-bed rest values within 5 days of reambulation. Similarly, DPD increased significantly at the onset of bed rest, remained elevated for the duration of bed rest, and returned to pre-bed rest levels upon reambulation. On the other hand, the other three indices of resorption, Hyp, PD, and TRAP, remained elevated for 2 weeks after reambulation. The most sensitive indices of the levels of physical activity proved to be the noncollagenous protein, OC, and the collagen crosslinker, DPD. The bed rest values of both these markers were significantly elevated compared to both the pre-bed rest values and the post-bed rest values. The sequence of changes in the circulating markers of bone metabolism indicated that increases in serum OC are the earliest responses of bone to head-down tilt bed rest.

  5. Predicting dynamics and rheology of blood flow: A comparative study of multiscale and low-dimensional models of red blood cells

    SciTech Connect

    Pan, Wenxiao; Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George E.

    2011-05-27

    In this work we compare the predictive capability of two mathematical models for red blood cells (RBCs) focusing on blood flow in capillaries and arterioles. Both RBC models as well as their corresponding blood flows are based on the dissipative particle dynamics (DPD) method, a coarse-grained molecular dynamics approach. The first model employs a multiscale description of the RBC (MS-RBC), with its membrane represented by hundreds or even thousands of DPD-particles connected by springs into a triangular network in combination with out-of-plane elastic bending resistance. Extra dissipation within the network accounts for membrane viscosity, while the characteristic biconcave RBC shape is achieved by imposition of constraints for constant membrane area and constant cell volume. The second model is based on a low-dimensional description (LD-RBC) constructed as a closed torus-like ring of only 10 large DPD colloidal particles. They are connected into a ring by worm-like chain (WLC) springs combined with bending resistance. The LD-RBC model can be fitted to represent the entire range of nonlinear elastic deformations as measured by optical-tweezers for healthy and for infected RBCs in malaria. MS-RBCs suspensions model the dynamics and rheology of blood flow accurately for any size vessel but this approach is computationally expensive above 100 microns. Surprisingly, the much more economical suspensions of LD-RBCs also capture the blood flow dynamics and rheology accurately except for vessels with sizes comparable to RBC diameter. In particular, the LD-RBC suspensions are shown to properly capture the experimental data for the apparent viscosity of blood and its cell-free layer (CFL) in tube flow. Taken together, these findings suggest a hierarchical approach in modeling blood flow in the arterial tree, whereby the MS-RBC model should be employed for capillaries and arterioles below 100 microns, the LD-RBC model for arterioles, and the continuum description for

  6. The role of Sp1 and Sp3 in the constitutive DPYD gene expression.

    PubMed

    Zhang, Xue; Li, Lin; Fourie, Jeanne; Davie, James R; Guarcello, Vincenzo; Diasio, Robert B

    2006-05-01

    Dihydropyrimidine dehydrogenase (DPD), the initial and rate-limiting enzyme in the 5-fluorouracil (5-FU) catabolic pathway, has been implicated as one of the factors determining the efficacy and toxicity of the anticancer agent 5-FU. Studies have attributed variation in DPD activity partially to alterations at the transcriptional level of DPYD gene. We investigated the transcription factors implicated in the constitutive expression of DPYD by utilizing a 174-bp fragment of the DPYD promoter region in which three consensus Sp protein binding sites (SpA, SpB and SpC) were predicted. The binding of Sp1 and Sp3 transcription factors to this region was detected by electrophoretic mobility shift and chromatin immunoprecipitation assays. By ectopically expressing human Sp1 and Sp3 in Sp-deficient Drosophila S2 cells, we demonstrated that Sp1 is a strong activator, while Sp3 by its own is a weak activator of the DPYD promoter. Moreover, Sp3 may serve as a competitor of Sp1, thus decreasing the Sp1 induced promoter activity. SpA, SpB and SpC sites are all Sp1 inducible. In the full activation of the DPYD promoter in human cell lines, the SpB site is essential; the SpC site works cooperatively with SpB, while SpA has minor promoter activity. These studies provide further insight into the molecular mechanisms underlying the heterogeneity of DPD activity, and may facilitate the efficacy and safety of 5-FU-based chemotherapy.

  7. Possible role of thymidine phosphorylase in gynecological tumors as an individualized treatment strategy

    PubMed Central

    Shida, Masako; Yasuda, Masanori; Fujita, Mariko; Miyazawa, Masaki; Kajiwara, Hiroshi; Hirasawa, Takeshi; Ikeda, Masae; Matsui, Naruaki; Muramatsu, Toshinari; Mikami, Mikio

    2016-01-01

    Thymidine phosphorylase (TP) is structurally similar to platelet-derived endothelial cell growth factor, and it activates 5-fluorouracil (5-FU) prodrugs and also promotes angiogenesis. In the present study, the possibility of using TP expression as a biomarker for 5-FU prodrugs, and the significance of TP as an angiogenic factor, were investigated in patients with gynecological tumors. The subjects enrolled in the study were 188 patients with gynecological tumors who provided informed consent and underwent tumor resection at the Department of Obstetrics and Gynecology of Tokai University Hospital between February 2002 and January 2010. Measurement of the enzymatic activity of TP and dihydropyrimidine dehydrogenase (DPD) was performed by enzyme-linked immunosorbent assay. In addition, immunohistochemistry (IHC) analysis of microvessels by monochrome imaging, western blotting and reverse transcription-polymerase chain reaction were performed. The mean TP activity and the TP/DPD ratio were increased in squamous cell carcinoma of the cervix (306.9 and 2.2 U/mg protein, respectively) and adenosquamous carcinoma (317.6 and 1.4 U/mg protein, respectively) compared with benign tumors and other malignancies, including endometrial (uterine) carcinoma, ovarian serous adenocarcinoma and ovarian mucinous adenocarcinoma. However, these parameters were also elevated in other histological types of cancer such as clear cell adenocarcinoma of the ovary (115.2 and 2.1 U/mg protein, respectively), in which the microvessel area was the largest of all the histological types analyzed. Since high TP expression and a high TP/DPD ratio were identified in other tumors besides cervical cancer, it is possible that patients for whom 5-FU prodrugs are indicated could be selected appropriately if their TP activity is determined and their TP expression is analyzed by IHC prior to initiation of the treatment. PMID:27899985

  8. Analysis of hydrodynamic fluctuations in heterogeneous adjacent multidomains in shear flow

    NASA Astrophysics Data System (ADS)

    Bian, Xin; Deng, Mingge; Tang, Yu-Hang; Karniadakis, George Em

    2016-03-01

    We analyze hydrodynamic fluctuations of a hybrid simulation under shear flow. The hybrid simulation is based on the Navier-Stokes (NS) equations on one domain and dissipative particle dynamics (DPD) on the other. The two domains overlap, and there is an artificial boundary for each one within the overlapping region. To impose the artificial boundary of the NS solver, a simple spatial-temporal averaging is performed on the DPD simulation. In the artificial boundary of the particle simulation, four popular strategies of constraint dynamics are implemented, namely the Maxwell buffer [Hadjiconstantinou and Patera, Int. J. Mod. Phys. C 08, 967 (1997), 10.1142/S0129183197000837], the relaxation dynamics [O'Connell and Thompson, Phys. Rev. E 52, R5792 (1995), 10.1103/PhysRevE.52.R5792], the least constraint dynamics [Nie et al., J. Fluid Mech. 500, 55 (2004), 10.1017/S0022112003007225; Werder et al., J. Comput. Phys. 205, 373 (2005), 10.1016/j.jcp.2004.11.019], and the flux imposition [Flekkøy et al., Europhys. Lett. 52, 271 (2000), 10.1209/epl/i2000-00434-8], to achieve a target mean value given by the NS solver. Going beyond the mean flow field of the hybrid simulations, we investigate the hydrodynamic fluctuations in the DPD domain. Toward that end, we calculate the transversal autocorrelation functions of the fluctuating variables in k space to evaluate the generation, transport, and dissipation of fluctuations in the presence of a hybrid interface. We quantify the unavoidable errors in the fluctuations, due to both the truncation of the domain and the constraint dynamics performed in the artificial boundary. Furthermore, we compare the four methods of constraint dynamics and demonstrate how to reduce the errors in fluctuations. The analysis and findings of this work are directly applicable to other hybrid simulations of fluid flow with thermal fluctuations.

  9. Blood Flow: Multi-scale Modeling and Visualization

    SciTech Connect

    2010-01-01

    Multi-scale modeling of arterial blood flow can shed light on the interaction between events happening at micro- and meso-scales (i.e., adhesion of red blood cells to the arterial wall, clot formation) and at macro-scales (i.e., change in flow patterns due to the clot). Coupled numerical simulations of such multi-scale flow require state-of-the-art computers and algorithms. Along with developing methods for multi-scale computations, techniques for multi-scale visualizations must be designed. This animation presents early results of joint efforts of teams from Brown University and Argonne National Laboratory to develop a multi-scale visualization methodology. It illustrates a flow of healthy (red) and diseased (blue) blood cells with a Dissipative Particle Dynamics (DPD) method. Each blood cell is represented by a mesh made of 500 DPD-particles, and small spheres show a sub-set of the DPD particles representing the blood plasma, while instantaneous streamlines and slices represent the ensemble average velocity. Credits: Science: Leopold Grinberg and George Karniadakis, Brown University Visualization: Joseph A. Insley and Michael E. Papka, Argonne National Laboratory This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. This research was supported in part by the National Science Foundation through the PetaApps program and used TeraGrid resources provided by National Institute for Computational Sciences.

  10. Self-assembly in Nafion membranes upon hydration: water mobility and adsorption isotherms.

    PubMed

    Vishnyakov, Aleksey; Neimark, Alexander V

    2014-09-25

    By means of dissipative particle dynamics (DPD) and Monte Carlo (MC) simulations, we explored geometrical, transport, and sorption properties of hydrated Nafion-type polyelectrolyte membranes. Composed of a perfluorinated backbone with sulfonate side chains, Nafion self-assembles upon hydration and segregates into interpenetrating hydrophilic and hydrophobic subphases. This segregated morphology determines the transport properties of Nafion membranes that are widely used as compartment separators in fuel cells and other electrochemical devices, as well as permselective diffusion barriers in protective fabrics. We introduced a coarse-grained model of Nafion, which accounts explicitly for polymer rigidity and electrostatic interactions between anionic side chains and hydrated metal cations. In a series of DPD simulations with increasing content of water, a classical percolation transition from a system of isolated water clusters to a 3D network of hydrophilic channels was observed. The hydrophilic subphase connectivity and water diffusion were studied by constructing digitized replicas of self-assembled morphologies and performing random walk simulations. A non-monotonic dependence of the tracer diffusivity on the water content was found. This unexpected behavior was explained by the formation of large and mostly isolated water domains detected at high water content and high equivalent polymer weight. Using MC simulations, we calculated the chemical potential of water in the hydrated polymer and constructed the water sorption isotherms, which extended to the oversaturated conditions. We determined that the maximum diffusivity and the onset of formation of large water domains corresponded to the saturation conditions at 100% humidity. The oversaturated membrane morphologies generated in the canonical ensemble DPD simulations correspond to the metastable and unstable states of Nafion membrane that are not realized in the experiments.

  11. Smoothed dissipative particle dynamics with angular momentum conservation

    NASA Astrophysics Data System (ADS)

    Müller, Kathrin; Fedosov, Dmitry A.; Gompper, Gerhard

    2015-01-01

    Smoothed dissipative particle dynamics (SDPD) combines two popular mesoscopic techniques, the smoothed particle hydrodynamics and dissipative particle dynamics (DPD) methods, and can be considered as an improved dissipative particle dynamics approach. Despite several advantages of the SDPD method over the conventional DPD model, the original formulation of SDPD by Español and Revenga (2003) [9], lacks angular momentum conservation, leading to unphysical results for problems where the conservation of angular momentum is essential. To overcome this limitation, we extend the SDPD method by introducing a particle spin variable such that local and global angular momentum conservation is restored. The new SDPD formulation (SDPD+a) is directly derived from the Navier-Stokes equation for fluids with spin, while thermal fluctuations are incorporated similarly to the DPD method. We test the new SDPD method and demonstrate that it properly reproduces fluid transport coefficients. Also, SDPD with angular momentum conservation is validated using two problems: (i) the Taylor-Couette flow with two immiscible fluids and (ii) a tank-treading vesicle in shear flow with a viscosity contrast between inner and outer fluids. For both problems, the new SDPD method leads to simulation predictions in agreement with the corresponding analytical theories, while the original SDPD method fails to capture properly physical characteristics of the systems due to violation of angular momentum conservation. In conclusion, the extended SDPD method with angular momentum conservation provides a new approach to tackle fluid problems such as multiphase flows and vesicle/cell suspensions, where the conservation of angular momentum is essential.

  12. Orotate phosphoribosyltransferase is overexpressed in malignant pleural mesothelioma: Dramatically responds one case in high OPRT expression

    PubMed Central

    Hamamoto, Yoichiro; Takeoka, Shinjiro; Mouri, Atsuto; Fukusumi, Munehisa; Wakuda, Kazushige; Ibe, Tatsuya; Honma, Chie; Arimoto, Yoshihito; Yamada, Kazuaki; Wagatsuma, Miyuki; Tashiro, Akito; Kamoshida, Shingo; Kamimura, Mitsuhiro

    2016-01-01

    ABSTRACT Objective: Malignant pleural mesothelioma (MPM) is a rare and aggressive, treatment-resistant cancer. Pemetrexed, an inhibitor of thymidylate synthase (TS), is used worldwide for MPM as a first-line chemotherapy regimen. However, there is little consensus for a second-line chemotherapy. S-1, a highly effective dihydropyrimidine dehydrogenase (DPD)-inhibitory fluoropyrimidine, mainly acts via a TS inhibitory mechanism similar to pemetrexed. Orotate phosphoribosyltransferase (OPRT) is a key enzyme related to the first step activation of 5-fluorouracil (5-FU) for inhibiting RNA synthesis. We investigated 5-FU related-metabolism proteins, especially focusing on OPRT expression, in MPM Methods and Patients: Fifteen MPM patients who were diagnosed between July 2004 and December 2013 were enrolled. We examined the protein levels of 5-FU metabolism-related enzymes (TS, DPD, OPRT, and thymidine phosphorylase [TP]) in 14 cases Results: High TS, DPD, OPRT, and TP expressions were seen in 28.6%, 71.4%, 85.7%, and 35.7% of patients, respectively. We found that OPRT expression was extremely high in MPM tissue. We experienced one remarkable case of highly effective S-1 combined therapy for pemetrexed refractory MPM. This case also showed high OPRT protein expression Conclusion: The present study suggests that OPRT expression is high in MPM tumors. Although pemetrexed is mainly used for MPM chemotherapy as a TS inhibitor, S-1 has potential as an anticancer drug not only as a TS inhibitor but also inhibiting RNA synthesis through the OPRT pathway. This is the first report investigating OPRT protein expressions in MPM. PMID:27274438

  13. Molecular patterns in deficient mismatch repair colorectal tumours: results from a French prospective multicentric biological and genetic study

    PubMed Central

    Etienne-Grimaldi, M-C; Mahamat, A; Chazal, M; Laurent-Puig, P; Olschwang, S; Gaub, M-P; Formento, J-L; Formento, P; Sudaka, A; Boige, V; Abderrahim-Ferkoune, A; Benchimol, D; André, T; Houry, S; Faucheron, J-L; Letoublon, C; Gilly, F-N; Delpero, J-R; Lasser, P; Pradere, B; Pezet, D; Penault-Llorca, F; Milano, G

    2014-01-01

    Background: To test the prognostic value of tumour protein and genetic markers in colorectal cancer (CRC) and examine whether deficient mismatch repair (dMMR) tumours had a distinct profile relative to proficient mismatch repair (pMMR) tumours. Methods: This prospective multicentric study involved 251 stage I–III CRC patients. Analysed biomarkers were EGFR (binding assay), VEGFA, thymidylate synthase (TS), thymidine phosphorylase (TP) and dihydropyrimidine dehydrogenase (DPD) expressions, MMR status, mutations of KRAS (codons 12–13), BRAF (V600E), PIK3CA (exons 9 and 20), APC (exon 15) and P53 (exons 4–9), CpG island methylation phenotype status, ploidy, S-phase, LOH. Results: The only significant predictor of relapse-free survival (RFS) was tumour staging. Analyses restricted to stage III showed a trend towards a shorter RFS in KRAS-mutated (P=0.005), BRAF wt (P=0.009) and pMMR tumours (P=0.036). Deficient mismatch repair tumours significantly demonstrated higher TS (median 3.1 vs 1.4) and TP (median 5.8 vs 3.5) expression relative to pMMR (P<0.001) and show higher DPD expression (median 14.9 vs 7.9, P=0.027) and EGFR content (median 69 vs 38, P=0.037) relative to pMMR. Conclusions: Present data suggesting that both TS and DPD are overexpressed in dMMR tumours as compared with pMMR tumours provide a strong rationale that may explain the resistance of dMMR tumours to 5FU-based therapy. PMID:24800948

  14. Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers

    NASA Astrophysics Data System (ADS)

    Tang, Yu-Hang; Kudo, Shuhei; Bian, Xin; Li, Zhen; Karniadakis, George Em

    2015-09-01

    Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. In the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM).

  15. Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers

    SciTech Connect

    Tang, Yu-Hang; Kudo, Shuhei; Bian, Xin; Li, Zhen; Karniadakis, George Em

    2015-09-15

    Graphical abstract: - Abstract: Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. In the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM)

  16. Amino acid supplementation alters bone metabolism during simulated weightlessness

    NASA Technical Reports Server (NTRS)

    Zwart, S. R.; Davis-Street, J. E.; Paddon-Jones, D.; Ferrando, A. A.; Wolfe, R. R.; Smith, S. M.

    2005-01-01

    High-protein and acidogenic diets induce hypercalciuria. Foods or supplements with excess sulfur-containing amino acids increase endogenous sulfuric acid production and therefore have the potential to increase calcium excretion and alter bone metabolism. In this study, effects of an amino acid/carbohydrate supplement on bone resorption were examined during bed rest. Thirteen subjects were divided at random into two groups: a control group (Con, n = 6) and an amino acid-supplemented group (AA, n = 7) who consumed an extra 49.5 g essential amino acids and 90 g carbohydrate per day for 28 days. Urine was collected for n-telopeptide (NTX), deoxypyridinoline (DPD), calcium, and pH determinations. Bone mineral content was determined and potential renal acid load was calculated. Bone-specific alkaline phosphatase was measured in serum samples collected on day 1 (immediately before bed rest) and on day 28. Potential renal acid load was higher in the AA group than in the Con group during bed rest (P < 0.05). For all subjects, during bed rest urinary NTX and DPD concentrations were greater than pre-bed rest levels (P < 0.05). Urinary NTX and DPD tended to be higher in the AA group (P = 0.073 and P = 0.056, respectively). During bed rest, urinary calcium was greater than baseline levels (P < 0.05) in the AA group but not the Con group. Total bone mineral content was lower after bed rest than before bed rest in the AA group but not the Con group (P < 0.05). During bed rest, urinary pH decreased (P < 0.05), and it was lower in the AA group than the Con group. These data suggest that bone resorption increased, without changes in bone formation, in the AA group.

  17. Targeting miR-21 enhances the sensitivity of human colon cancer HT-29 cells to chemoradiotherapy in vitro

    SciTech Connect

    Deng, Jun; Lei, Wan; Fu, Jian-Chun; Zhang, Ling; Li, Jun-He; Xiong, Jian-Ping

    2014-01-17

    Highlight: •MiR-21 plays a significant role in 5-FU resistance. •This role might be attributed to targeting of hMSH2 as well as TP and DPD via miR-21 targeted hMSH2. •Indirectly targeted TP and DPD to influence 5-FU chemotherapy sensitivity. -- Abstract: 5-Fluorouracil (5-FU) is a classic chemotherapeutic drug that has been widely used for colorectal cancer treatment, but colorectal cancer cells are often resistant to primary or acquired 5-FU therapy. Several studies have shown that miR-21 is significantly elevated in colorectal cancer. This suggests that this miRNA might play a role in this resistance. In this study, we investigated this possibility and the possible mechanism underlying this role. We showed that forced expression of miR-21 significantly inhibited apoptosis, enhanced cell proliferation, invasion, and colony formation ability, promoted G1/S cell cycle transition and increased the resistance of tumor cells to 5-FU and X radiation in HT-29 colon cancer cells. Furthermore, knockdown of miR-21 reversed these effects on HT-29 cells and increased the sensitivity of HT-29/5-FU to 5-FU chemotherapy. Finally, we showed that miR-21 targeted the human mutS homolog2 (hMSH2), and indirectly regulated the expression of thymidine phosphorylase (TP) and dihydropyrimidine dehydrogenase (DPD). These results demonstrate that miR-21 may play an important role in the 5-FU resistance of colon cancer cells.

  18. Comparison among the methods for hydrogen peroxide measurements to evaluate advanced oxidation processes: Application of a spectrophotometric method using copper(II) ion and 2,9-dimethyl-1,10-phenanthroline

    SciTech Connect

    Kosaka, Koji; Yamada, Harumi; Matsui, Saburo; Echigo, Shinya; Shishida, Kenichi

    1998-12-01

    Hydrogen peroxide (H{sub 2}O{sub 2}) in the range of several tens to several hundreds of micromoles per liter is usually added to the process water in advanced oxidation processes (AOPs). In this study, a spectrophotometric method using copper(II) ion and 2,9-dimethyl-1, 10-phenanthroline (DMP) for measuring H{sub 2}O{sub 2} concentration was compared with other methods [i.e., spectrophotometric methods using titanium oxalate and N,N-diethyl-p-phenylenediamine (DPD) and a fluorometric method using p-hydroxyphenyl acetic acid (POHPAA)]. Particular attention was paid to sensitivities and effects of coexisting substances. The most sensitive method was the fluorometric method, followed in order by DPD, DMP, and the titanium oxalate colorimetric method; their detection limits in 1-cm cells were 0.16, 0.77, 0.80, and 29 {micro}M, respectively. Therefore, the DMP method was found to be reasonably sensitive when applied to AOPs. In the DMP method, copper(II)-DMP complexes react with humic acid, and colored chemicals are produced. However, the slopes of the calibration curves of H{sub 2}O{sub 2} containing up to 10 mg of C L{sup {minus}1} from humic acid did not change significantly as compared to that in ultrapure water. The effect of chlorine on the DMP method was not observed up to at least 23 {micro}M (0.8 mg of Cl L{sup {minus}1}) of free chlorine, although the DPD and fluorometric methods are known to be interfered by chlorine. From this study, it was concluded that the DMP method is suitable to be used in AOPs.

  19. Variability of collagen crosslinks: impact of sample collection period

    NASA Technical Reports Server (NTRS)

    Smith, S. M.; Dillon, E. L.; DeKerlegand, D. E.; Davis-Street, J. E.

    2004-01-01

    Because of the variability of collagen crosslinks, their use as markers for bone resorption is often criticized. We hypothesized that the variability could be reduced by collecting urine for 24 hours (or longer) instead of using single voids, and by not normalizing to creatinine. Urine samples were collected from 22 healthy subjects during two or more 24-hour periods. Each 24-hour pool and each 2nd void of the day were analyzed for N-telopeptide (NTX), pyridinium (PYD), and deoxypyridinoline (DPD) crosslinks. Data were analyzed by using linear regression. For NTX, R2 for the two, 2nd-void samples (n = 38) was 0.55, whereas R2 for the two 24-hour pools was 0.51 or 0.52, expressed per day or per creatinine. For PYD and DPD, R2 for the 2nd-void samples was 0.26 and 0.18, R2 for the 24-hour pools expressed per day was 0.58 and 0.74, and R2 for the 24-hour pools expressed per creatinine was 0.65 and 0.76, respectively. Regression of the 2nd void and the corresponding 24-hour pool, expressed per day, yielded R2 = 0.19, 0.19, and 0.08, for NTX, PYD, and DPD, respectively (n = 76 each). For the 2nd-void sample and its corresponding 24-hour pool, expressed per creatinine, R2 = 0.24, 0.33, and 0.08, respectively. In a separate study, the coefficient of variation for NTX was reduced (P < 0.05) when data from more than one 24-hour collection were combined. Thus, the variability inherent in crosslink determinations can be reduced by collecting urine for longer periods. In research studies, the high variability of single-void collections, compounded by creatinine normalization, may alter or obscure findings.

  20. Changes in skeletal collagen crosslinks and matrix hydration in high and low turnover chronic kidney disease

    PubMed Central

    Allen, Matthew R.; Newman, Christopher L.; Chen, Neal; Granke, Mathilde; Nyman, Jeffry S.; Moe, Sharon M.

    2015-01-01

    Purpose/Introduction Clinical data have documented a clear increase in fracture risk associated with chronic kidney disease (CKD). Preclinical studies have shown reductions in bone mechanical properties although the tissue-level mechanisms for these differences remain unclear. The goal of this study was to assess collagen cross-links and matrix hydration, two variables known to affect mechanical properties, in animals with either high or low turnover CKD. Methods At 35 weeks of age (>75% reduction in kidney function), the femoral diaphysis of male Cy/+ rats with high or low bone turnover rates, along with normal littermate (NL) controls, were assessed for collagen cross-links (pyridinoline (PYD), deoxypyridinoline (DPD), and pentosidine (PE)) using a high performance liquid chromatography (HPLC) assay as well as pore and bound water per volume (pw and bw) using a 1H nuclear magnetic resonance (NMR) technique. Material-level biomechanical properties were calculated based on previously published whole bone mechanical tests. Results Cortical bone from animals with high turnover disease had lower Pyd and Dpd crosslink levels (−21% each), lower bw (−10%), higher PE (+71%), and higher pw (+46%), compared to NL. Animals with low turnover had higher Dpd, PE (+71%), and bw (+7%) along with lower pw (−60%) compared to NL. Both high and low turnover animals had reduced material-level bone toughness compared to NL animals as determined by three-point bending. Conclusions These data document an increase in skeletal PE with advanced CKD that is independent of bone turnover rate and inversely related to decline in kidney function. Although hydration changes occur in both high and low turnover disease, the data suggest that non-enzymatic collagen crosslinks may be a key factor in compromised mechanical properties of CKD. PMID:25466530

  1. Osteogenesis Imperfecta, Pseudoachalasia, and Gastric Cancer

    PubMed Central

    Mizrak, Dilsa; Alkan, Ali; Erdogdu, Batuhan; Utkan, Gungor

    2015-01-01

    Osteogenesis imperfecta (OI) is a rare, inherited skeletal disorder characterized by abnormalities of type 1 collagen. Malignancy is rarely reported in patients with OI and it was suggested that this disease can protect against cancer. Here, we report a 41-year-old woman with symptoms of achalasia where repeated treatment of pneumatic dilation and stent replacement was unsuccessful; therefore, surgery was performed. Pathology showed gastric adenocarcinoma unexpectedly. Chemotherapy was given after assessing dihydropyrimidine dehydrogenase (DPD) enzyme activity, which can be deficient in OI patients. This is the first report of gastric cancer mimicking achalasia in a patient with OI. PMID:25874139

  2. A test of systematic coarse-graining of molecular dynamics simulations: Transport properties.

    PubMed

    Fu, Chia-Chun; Kulkarni, Pandurang M; Shell, M Scott; Leal, L Gary

    2013-09-07

    To what extent can a "bottom-up" mesoscale fluid model developed through systematic coarse-graining techniques recover the physical properties of a molecular scale system? In a previous paper [C.-C. Fu, P. M. Kulkarni, M. S. Shell, and L. G. Leal, J. Chem. Phys. 137, 164106 (2012)], we addressed this question for thermodynamic properties through the development of coarse-grained (CG) fluid models using modified iterative Boltzmann inversion methods that reproduce correct pair structure and pressure. In the present work we focus on the dynamic behavior. Unlike the radial distribution function and the pressure, dynamical properties such as the self-diffusion coefficient and viscosity in a CG model cannot be matched during coarse-graining by modifying the pair interaction. Instead, removed degrees of freedom require a modification of the equations of motion to simulate their implicit effects on dynamics. A simple but approximate approach is to introduce a friction coefficient, γ, and random forces for the remaining degrees of freedom, in which case γ becomes an additional parameter in the coarse-grained model that can be tuned. We consider the non-Galilean-invariant Langevin and the Galilean-invariant dissipative particle dynamics (DPD) thermostats with CG systems in which we can systematically tune the fraction φ of removed degrees of freedom. Between these two choices, only DPD allows both the viscosity and diffusivity to match a reference Lennard-Jones liquid with a single value of γ for each degree of coarse-graining φ. This friction constant is robust to the pressure correction imposed on the effective CG potential, increases approximately linearly with φ, and also depends on the interaction cutoff length, rcut, of the pair interaction potential. Importantly, we show that the diffusion constant and viscosity are constrained by a simple scaling law that leads to a specific choice of DPD friction coefficient for a given degree of coarse-graining. Moreover, we

  3. A test of systematic coarse-graining of molecular dynamics simulations: Transport properties

    NASA Astrophysics Data System (ADS)

    Fu, Chia-Chun; Kulkarni, Pandurang M.; Shell, M. Scott; Leal, L. Gary

    2013-09-01

    To what extent can a "bottom-up" mesoscale fluid model developed through systematic coarse-graining techniques recover the physical properties of a molecular scale system? In a previous paper [C.-C. Fu, P. M. Kulkarni, M. S. Shell, and L. G. Leal, J. Chem. Phys. 137, 164106 (2012)], 10.1063/1.4759463, we addressed this question for thermodynamic properties through the development of coarse-grained (CG) fluid models using modified iterative Boltzmann inversion methods that reproduce correct pair structure and pressure. In the present work we focus on the dynamic behavior. Unlike the radial distribution function and the pressure, dynamical properties such as the self-diffusion coefficient and viscosity in a CG model cannot be matched during coarse-graining by modifying the pair interaction. Instead, removed degrees of freedom require a modification of the equations of motion to simulate their implicit effects on dynamics. A simple but approximate approach is to introduce a friction coefficient, γ, and random forces for the remaining degrees of freedom, in which case γ becomes an additional parameter in the coarse-grained model that can be tuned. We consider the non-Galilean-invariant Langevin and the Galilean-invariant dissipative particle dynamics (DPD) thermostats with CG systems in which we can systematically tune the fraction ϕ of removed degrees of freedom. Between these two choices, only DPD allows both the viscosity and diffusivity to match a reference Lennard-Jones liquid with a single value of γ for each degree of coarse-graining ϕ. This friction constant is robust to the pressure correction imposed on the effective CG potential, increases approximately linearly with ϕ, and also depends on the interaction cutoff length, rcut, of the pair interaction potential. Importantly, we show that the diffusion constant and viscosity are constrained by a simple scaling law that leads to a specific choice of DPD friction coefficient for a given degree of coarse

  4. Recent Applications of Mesoscale Modeling to Nanotechnology and Drug Delivery

    SciTech Connect

    Maiti, A; Wescott, J; Kung, P; Goldbeck-Wood, G

    2005-02-11

    Mesoscale simulations have traditionally been used to investigate structural morphology of polymer in solution, melts and blends. Recently we have been pushing such modeling methods to important areas of Nanotechnology and Drug delivery that are well out of reach of classical molecular dynamics. This paper summarizes our efforts in three important emerging areas: (1) polymer-nanotube composites; (2) drug diffusivity through cell membranes; and (3) solvent exchange in nanoporous membranes. The first two applications are based on a bead-spring-based approach as encoded in the Dissipative Particle Dynamics (DPD) module. The last application used density-based Mesoscale modeling as implemented in the Mesodyn module.

  5. Conductivity of carbon nanotube polymer composites

    SciTech Connect

    Wescott, J T; Kung, P; Maiti, A

    2006-11-20

    Dissipative Particle Dynamics (DPD) simulations were used to investigate methods of controlling the assembly of percolating networks of carbon nanotubes (CNTs) in thin films of block copolymer melts. For suitably chosen polymers the CNTs were found to spontaneously self-assemble into topologically interesting patterns. The mesoscale morphology was projected onto a finite-element grid and the electrical conductivity of the films computed. The conductivity displayed non-monotonic behavior as a function of relative polymer fractions in the melt. Results are compared and contrasted with CNT dispersion in small-molecule fluids and mixtures.

  6. Current Development of Anti-Cancer Drug S-1

    PubMed Central

    Giri, Anil; Shakya, Suraj; Shakya, Sujana; Sapkota, Binaya; Pramod, KC

    2016-01-01

    S-1 is a novel oral fluoropyrimidine derivative, widely used for treating gastric, pancreatic, lung, head, neck and breast carcinomas. It is designed to enhance the clinical utility of an oral fluoropyrimidine and is associated with low gastrointestinal toxicity. S-1 consists of three pharmacological agents (at a molar ratio of 1:0.4:1)-Tegafur (FT), a prodrug of 5-Fluorouracil (5-FU), 5-Chloro-2-4-Dihydroxypyridine (CDHP), which inhibits the activity of Dihydropyrimidine Dehydrogenase (DPD) and Oxonic Acid (Oxo), which reduces Gastrointestinal (GI) toxicity of 5-FU. The present article reviews the current development of clinical study of S-1. PMID:28050491

  7. Dissipative-particle-dynamics model of biofilm growth

    SciTech Connect

    Xu, Zhijie; Meakin, Paul; Tartakovsky, Alexandre M.; Scheibe, Timothy D.

    2011-06-13

    A dissipative particle dynamics (DPD) model for the quantitative simulation of biofilm growth controlled by substrate (nutrient) consumption, advective and diffusive substrate transport, and hydrodynamic interactions with fluid flow (including fragmentation and reattachment) is described. The model was used to simulate biomass growth, decay, and spreading. It predicts how the biofilm morphology depends on flow conditions, biofilm growth kinetics, the rheomechanical properties of the biofilm and adhesion to solid surfaces. The morphology of the model biofilm depends strongly on its rigidity and the magnitude of the body force that drives the fluid over the biofilm.

  8. Effect of berberine on bone mineral density in SAMP6 as a senile osteoporosis model.

    PubMed

    Li, Huiying; Miyahara, Tatsuro; Tezuka, Yasuhiro; Tran, Quan Le; Seto, Hikaru; Kadota, Shigetoshi

    2003-01-01

    The effects of berberine in senescence accelerated mice P6 (SAMP6) were investigated to learn whether the alkaloid affects bone mineral density (BMD). Oral administration of berberine (10 mg/kg/d) to male and female mice for 22 weeks resulted in an increase in BMD in both sexes. A decreased concentration of deoxypyridinoline (Dpd) in urine was only observed in female mice. There was no effect on body or tibia weight or on the concentration of procollagen type I carboxyterminal extension peptide (PICP) in serum.

  9. Recommendations for Creating a Resource Management System to Support the Colombian Army in a New Environment

    DTIC Science & Technology

    1992-04-15

    1.4 percent of GNP versus 6.1 for Europe, 5.9 for the United States, and 4.2 for Africa (figures of military expenditures, 1988 ). 4 The result is...Colombia: Political Constitution of 1991, FBIS-LAT-91-170-S, 3 September 1991. 7. Presidencia de la Republica, Estrategia Nacional Contra la Violencia, El...Russack, 1973. Presidencia de la Republica, Colombia, Estrategia Nacional contra la Violencia, El Tiempo Newspaper, Supplement, May 1991. Quade, E

  10. Mesoscopic simulation for the structures of magnetic fluids

    NASA Astrophysics Data System (ADS)

    Li, Wuming; Li, Qiang

    2017-02-01

    The microstructures of magnetic fluids are simulated using a dissipative particle dynamics (DPD)-based method and are fundamentally important for controlling the macroscopic properties of magnetic fluids and understanding the corresponding rheological behaviors in diverse engineering applications. The cubic polynomial spline function often used as smoothing function in smoothed particle hydrodynamics (SPH) is employed as the conservative force potential function, which can provide a stronger conservative force weight function than the conventional weight function by choosing properly the cutoff radius between the dissipative particles. By employing the above method, the desired results are obtained for both stronger and weaker magnetic particle-particle interaction under the condition of varying the mass of the dissipative particles. In addition, the influences of the magnetic particle-particle interaction and of the magnetic particle area fraction on the microstructure of magnetic fluids are also investigated, respectively, and the obtained results agree qualitatively well with those in the literature obtained by other numerical approaches and experiments. The numerical solutions of the mean equilibrium velocities of the magnetic and dissipative particles are also calculated and approximate the corresponding theoretical values very well. Therefore the employed DPD-based method is highly effective in the simulation of the microstructure of magnetic fluids.

  11. pH-sensitive drug loading/releasing in amphiphilic copolymer PAE-PEG: integrating molecular dynamics and dissipative particle dynamics simulations.

    PubMed

    Luo, Zhonglin; Jiang, Jianwen

    2012-08-20

    Molecular dynamics (MD) and dissipative particle dynamics (DPD) simulations are integrated to investigate the loading/releasing of anti-cancer drug camptothecin (CPT) in pH-sensitive amphiphilic copolymer, composed of hydrophobic poly(β-amino ester) (PAE) and hydrophilic methyl ether-capped poly(ethylene glycol) (PEG). MD simulation is used to estimate the Flory-Huggins interaction parameters and miscibility of binary components. On this basis, DPD simulation is applied to examine the micellization of PAE-PEG, CPT loading in PAE-PEG, and CPT releasing in PAEH-PEG. With increasing concentration, PAE-PEG forms spherical then disk-like micelles and finally vesicles, as a competitive counterbalance of free energies for the formation of shell, interface and core. CPT loading in PAE-PEG micelles/vesicles is governed by adsorption-growth-micellization mechanism, and CPT is loaded into both hydrophobic core and interface of hydrophobic core/hydrophilic shell. The predicted loading efficiency is close to experimental value. Similar to literature reports, the loading of high concentration of CPT is observed to cause morphology transition from micelles to vesicles. Upon protonation, CPT is released from micelles/vesicles by swelling-demicellization-releasing mechanism. This multi-scale simulation study provides microscopic insight into the mechanisms of drug loading and releasing, and might be useful for the design of new materials for high-efficacy drug delivery.

  12. Mesoscale Simulations and Experimental Studies of pH-Sensitive Micelles for Controlled Drug Delivery.

    PubMed

    Wang, Yan; Li, Qiu Yu; Liu, Xu Bo; Zhang, Can Yang; Wu, Zhi Min; Guo, Xin Dong

    2015-11-25

    The microstructures of doxorubicin-loaded micelles prepared from block polymers His(x)Lys10 (x = 0, 5, 10) conjugated with docosahexaenoic acid (DHA) are investigated under different pH conditions, using dissipative particle dynamics (DPD) simulations. The conformation of micelles and the DOX distributions in micelles were obviously influenced by pH values and the length of the histidine segment. At pH >6.0, the micelles self-assembled from the polymers were dense and compact. The drugs were entrapped well within the micellar core. The particle size increases as the histidine length increases. With the decrease of pH value to be lower than 6.0, there was no distinct difference for the micelles self-assembled from the polymer without histidine residues. However, the micelles prepared from the polymers with histidine residues shows a structural transformation from dense to swollen conformation, leading to an increased particle size from 10.3 to 14.5 DPD units for DHD-His10Lys10 micelles. This structural transformation of micelles can accelerate the DOX release from micelles under lower pH conditions. The in vitro drug release from micelles is accelerated by the decrease of pH value from 7.4 (physiological environment) to 5.0 (lysosomal environment). The integration of simulation and experiments might be a valuable method for the optimization and design of biomaterials for drug delivery with desired properties.

  13. The aggregation and diffusion of asphaltenes studied by GPU-accelerated dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Wang, Sibo; Xu, Junbo; Wen, Hao

    2014-12-01

    The heavy crude oil consists of thousands of compounds and much of them have large molecular weights and complex structures. Studying the aggregation and diffusion behavior of asphaltenes can facilitate the understanding of the heavy crude oil. In previous studies, the fused aromatic rings were treated as rigid bodies so that dissipative particle dynamics (DPD) integrated with the quaternion method can be used to study asphaltene systems. In this work, DPD integrated with the quaternion method is implemented on graphics processing units (GPUs). Compared with the serial program, tens of times speedup can be achieved when simulations performed on a single GPU. Using multiple GPUs can provide faster computation speed and more storage space for simulations of significant large systems. By using large systems, simulations of the asphaltene-toluene system at extremely dilute concentrations can be performed. The determined diffusion coefficients of asphaltenes are similar to that in experimental studies. At last, the aggregation behavior of asphaltenes in heptane was investigated, and the simulation results agreed with the modified Yen model. Monomers, nanoaggregates and clusters were observed from the simulations at different concentrations.

  14. Seamless particle-based modeling of blood clotting

    NASA Astrophysics Data System (ADS)

    Yazdani, Alireza; Karniadakis, George

    2016-11-01

    We propose a new multiscale framework that seamlessly integrate four key components of blood clotting namely, blood rheology, cell mechanics, coagulation kinetics and transport of species and platelet adhesive dynamics. We use transport dissipative particle dynamics (tDPD) which is an extended form of original DPD as the base solver to model both blood flow and the reactive transport of chemical species in the coagulation cascade. Further, we use a coarse-grained representation of blood cell's membrane that accounts for its mechanics; both red blood cells and platelets are resolved at sub-cellular resolution, and stochastic bond formation/dissociation are included to account for platelet adhesive dynamics at the site of injury. Our results show good qualitative agreement with in vivo experiments. The numerical framework allows us to perform systematic analysis on different mechanisms of blood clotting. In addition, this new multiscale particle-based methodology can open new directions in addressing different biological processes from sub-cellular to macroscopic scales. NIH Grant No. U01HL116323.

  15. Double-prism domain PPLN for simultaneous laser Q-switching and optical parametric oscillation in a Nd:YVO4 laser.

    PubMed

    Huang, J F; Chang, W K; Chung, H P; Huang, S S; Chang, J W; Chen, Y H

    2013-12-16

    We report a design and demonstration of an electro-optically Q-switched intracavity optical parametric oscillator (IOPO) based on a unique ramped duty-cycle periodically poled lithium niobate (PPLN) in a diode-pumped 1064-nm Nd:YVO(4) laser. The PPLN crystal, having a double-prism domain (DPD) structure with a domain period of 30 μm, can work simultaneously as an electro-optic (EO) beam deflector (and therefore an EO Q-switch in the laser cavity) and an optical parametric down converter. The characterized deflection sensitivity of the DPD PPLN device was 1.15°/kV-cm. At a 180-V Q-switching voltage and a 1-kHz switching rate, we measured a down-converted signal at 1550 nm with pulse energy of >8.1 μJ (or peak power of >2.3 kW) from the constructed IOPO at 7.5-W diode pump power. Continuous wavelength tuning of the IOPO signal was also demonstrated.

  16. Development of a stability-indicating HPLC method of etifoxine with characterization of degradation products by LC-MS/TOF, 1H and 13C NMR.

    PubMed

    Djabrouhou, Nadia; Guermouche, Moulay-Hassane

    2014-11-01

    This paper describes a new LC-MS/TOF method for the degradation products determination when Etifoxine (ETI) is submitted to different stress conditions. Chromatography is performed by using Kromasil C18 column (250mm×4.6mm, 5μm particle size). The selected mobile phase consists of formate buffer 0.02M, pH 3 and methanol (70/30, v/v). ETI is submitted to oxidative, acidic, basic, hydrolytic, thermal and UV light degradations. Detection is made at 254nm by photodiode array detector and mass spectrometry. A number of degradation products (DPs) called DPA, DPB, DPC and DPD are found depending on the stress; DPA with heat, DPA and DPB in acidic media or under UV-light; DPA, DPB and DPC under basic stress; DPA, DPB, DPC and DPD with oxidation. LC-MS/TOF is used to characterize the four DPs of ETI resulting from different stress conditions. (1)H and (13)C NMR are used to confirm the DP structures. The ETI fragmentation pathway is proposed. The method is validated with reference to International Conference on Harmonization guidelines and ETI are selectively determined in presence of its DPs, demonstrating its stability-indicating nature. Finally, for the validation step, specificity, linearity, accuracy and precision are determined for ETI and its DPs.

  17. Rheological properties of Cubic colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Maia, Joao

    2016-11-01

    Colloidal and non-colloidal suspensions are ubiquitous in many industrial application. There are numerous studies on these systems to understand and relate their complex rheological properties to their microstructural evolution under deformation. Although most of the experimental and simulation studies are centered on spherical particles, in most of the industrial applications the geometry of the colloidal particles deviate from the simple hard sphere and more complex geometries exist. Recent advances in microfabrication paved the way to fabricate colloidal particles with complex geometries for applications in different areas such as drug delivery where the fundamental understanding of their dynamics has remained unexplored. In this study, using dissipative particle dynamics, we investigate the rheological properties of cubic (superball) particles which are modeled as the cluster of core-modified DPD particles. Explicit representation of solvent particles in the DPD scheme will conserve the full hydrodynamic interactions between colloidal particles. Rheological properties of these cubic suspensions are investigated in the dilute and semi-dilute regimes. The Einstein and Huggins coefficients for these particles with different superball exponent will be calculate which represent the effect of single particle's geometry and multibody interactions on viscosity, respectively. The response of these suspensions is investigated under simple shear and oscillatory shear where it is shown that under oscillation these particles tend to form crystalline structure giving rise to stronger shear-thinning behavior recently measured experimentally.

  18. Viscosity measurement techniques in Dissipative Particle Dynamics

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Jamali, Safa; Maia, Joao M.

    2015-11-01

    In this study two main groups of viscosity measurement techniques are used to measure the viscosity of a simple fluid using Dissipative Particle Dynamics, DPD. In the first method, a microscopic definition of the pressure tensor is used in equilibrium and out of equilibrium to measure the zero-shear viscosity and shear viscosity, respectively. In the second method, a periodic Poiseuille flow and start-up transient shear flow is used and the shear viscosity is obtained from the velocity profiles by a numerical fitting procedure. Using the standard Lees-Edward boundary condition for DPD will result in incorrect velocity profiles at high values of the dissipative parameter. Although this issue was partially addressed in Chatterjee (2007), in this work we present further modifications (Lagrangian approach) to the original LE boundary condition (Eulerian approach) that will fix the deviation from the desired shear rate at high values of the dissipative parameter and decrease the noise to signal ratios in stress measurement while increases the accessible low shear rate window. Also, the thermostat effect of the dissipative and random forces is coupled to the dynamic response of the system and affects the transport properties like the viscosity and diffusion coefficient. We investigated thoroughly the dependency of viscosity measured by both Eulerian and Lagrangian methodologies, as well as numerical fitting procedures and found that all the methods are in quantitative agreement.

  19. On-line Tools for Solar Data Compiled at the Debrecen Observatory and Their Extensions with the Greenwich Sunspot Data

    NASA Astrophysics Data System (ADS)

    Baranyi, T.; Győri, L.; Ludmány, A.

    2016-11-01

    The primary task of the Debrecen Heliophysical Observatory (DHO) has been the most detailed, reliable, and precise documentation of the solar photospheric activity since 1958. This long-term effort resulted in various solar catalogs based on ground-based and space-borne observations. A series of sunspot databases and on-line tools were compiled at DHO: the Debrecen Photoheliographic Data (DPD, 1974 -), the dataset based on the Michelson Doppler Imager (MDI) of the Solar and Heliospheric Observatory (SOHO) called SOHO/MDI-Debrecen Data (SDD, 1996 - 2010), and the dataset based on the Helioseismic and Magnetic Imager (HMI) of the Solar Dynamics Observatory (SDO) called SDO/HMI-Debrecen Data (HMIDD, 2010 - ). User-friendly web-presentations and on-line tools were developed to visualize and search data. As a last step of the compilation, the revised version of Greenwich Photoheliographic Results (GPR, 1874 - 1976) catalog was converted to DPD format, and a homogeneous sunspot database covering more than 140 years was created. The database of images for the GPR era was completed with the full-disc drawings of the Hungarian historical observatories Ógyalla and Kalocsa (1872 - 1919) and with the polarity drawings of Mount Wilson Observatory. We describe the main characteristics of the available data and on-line tools.

  20. Dispersion/Aggregation of polymer grafted nanorods in a polymer matrix studied by Dissipative Particle Dynamics

    NASA Astrophysics Data System (ADS)

    Maia, Joao; Khani, Shaghayegh

    2015-03-01

    Nanorods are incorporated into polymer matrices for fabricating composite materials with enhanced physical and mechanical properties.The final macroscopic properties of the composites are directly related to the dispersion and organization of the nanoparticles in the matrix. For instance, a significant improvement in the mechanical properties of the nanorod-polymer composites is observed upon formation of a percolating network. One way of controlling the assembly of nanorods in the polymer medium is adjusting the chemical interactions which is done through grafting polymer chains on the surface of the rods. The recent developments in the computational techniques have paved the road for further understanding of the controlled dispersion and aggregation of nanorods in polymer matrices. In this study, Dissipative Particle Dynamics (DPD) is employed in order to investigate the effect of enthalpic and entopic variables on the phase behavior of the abovementioned nanocomposites. In DPD, the interaction parameter between the components of the systems can be mapped onto the Flory-Huggins χ-parameter via well-known Groot-Warren expression. This works studies the effect of the enthalpic and entropic variables on phase transitions. The main goal is to provide a phase diagram than can be used to guide the experiments in designing new materials.

  1. Simulation and experimental study of rheological properties of CeO2-water nanofluid

    NASA Astrophysics Data System (ADS)

    Loya, Adil; Stair, Jacqueline L.; Ren, Guogang

    2015-10-01

    Metal oxide nanoparticles offer great merits over controlling rheological, thermal, chemical and physical properties of solutions. The effectiveness of a nanoparticle to modify the properties of a fluid depends on its diffusive properties with respect to the fluid. In this study, rheological properties of aqueous fluids (i.e. water) were enhanced with the addition of CeO2 nanoparticles. This study was characterized by the outcomes of simulation and experimental results of nanofluids. The movement of nanoparticles in the fluidic media was simulated by a large-scale molecular thermal dynamic program (i.e. LAMMPS). The COMPASS force field was employed with smoothed particle hydrodynamic potential (SPH) and discrete particle dynamics potential (DPD). However, this study develops the understanding of how the rheological properties are affected due to the addition of nanoparticles in a fluid and the way DPD and SPH can be used for accurately estimating the rheological properties with Brownian effect. The rheological results of the simulation were confirmed by the convergence of the stress autocorrelation function, whereas experimental properties were measured using a rheometer. These rheological values of simulation were obtained and agreed within 5 % of the experimental values; they were identified and treated with a number of iterations and experimental tests. The results of the experiment and simulation show that 10 % CeO2 nanoparticles dispersion in water has a viscosity of 2.0-3.3 mPas.

  2. Fourier transform Infrared spectroscopic characterization of mineralizing type I collagen enzymatic trivalent cross-links.

    PubMed

    Paschalis, E P; Gamsjaeger, S; Tatakis, D N; Hassler, N; Robins, S P; Klaushofer, K

    2015-01-01

    The most abundant protein of bone's organic matrix is collagen. One of its most important properties is its cross-linking pattern, which is responsible for the fibrillar matrices' mechanical properties such as tensile strength and viscoelasticity. We have previously described a spectroscopic method based on the resolution of the Amide I and II Fourier transform Infrared (FTIR) bands to their underlying constituent peaks, which allows the determination of divalent and pyridinoline (PYD) collagen cross-links in mineralized thin bone tissue sections with a spatial resolution of ~6.3 μm. In the present study, we used FTIR analysis of a series of biochemically characterized collagen peptides, as well as skin, dentin, and predentin, to examine the potential reasons underlying discrepancies between two different analytical methodologies specifically related to spectral processing. The results identified a novel distinct FTIR underlying peak at ~1,680 cm(-1), correlated with deoxypyridinoline (DPD) content. Furthermore, the two different methods of spectral resolution result in widely different results, while only the method employing well-established spectroscopic routines for spectral resolution provided biologically relevant results, confirming our earlier studies relating the area of the underlying 1,660 cm(-1) with PYD content. The results of the present study describe a new peak that may be used to determine DPD content, confirm our earlier report relating spectroscopic parameters to PYD content, and highlight the importance of the selected spectral resolution methodology.

  3. Multiscale Modeling of Hematologic Disorders

    SciTech Connect

    Fedosov, Dmitry A.; Pivkin, Igor; Pan, Wenxiao; Dao, Ming; Caswell, Bruce; Karniadakis, George E.

    2012-01-28

    Parasitic infectious diseases and other hereditary hematologic disorders are often associated with major changes in the shape and viscoelastic properties of red blood cells (RBCs). Such changes can disrupt blood flow and even brain perfusion, as in the case of cerebral malaria. Modeling of these hematologic disorders requires a seamless multiscale approach, where blood cells and blood flow in the entire arterial tree are represented accurately using physiologically consistent parameters. In this chapter, we present a computational methodology based on dissipative particle dynamics (DPD) which models RBCs as well as whole blood in health and disease. DPD is a Lagrangian method that can be derived from systematic coarse-graining of molecular dynamics but can scale efficiently up to small arteries and can also be used to model RBCs down to spectrin level. To this end, we present two complementary mathematical models for RBCs and describe a systematic procedure on extracting the relevant input parameters from optical tweezers and microfluidic experiments for single RBCs. We then use these validated RBC models to predict the behavior of whole healthy blood and compare with experimental results. The same procedure is applied to modeling malaria, and results for infected single RBCs and whole blood are presented.

  4. Flow-induced translocation of polymers through a fluidic channel: a dissipative particle dynamics simulation study.

    PubMed

    Guo, Jiayi; Li, Xuejin; Liu, Yuan; Liang, Haojun

    2011-04-07

    The dynamics of flow-induced translocation of polymers through a fluidic channel has been studied by dissipative particle dynamics (DPD) approach. Unlike implicit solvent models, the many-body energetic and hydrodynamic interactions are preserved naturally by incorporating explicit solvent particles in this approach. The no-slip wall boundary and the adaptive boundary conditions have been implemented in the modified DPD approach to model the hydrodynamic flow within a specific wall structure of fluidic channel and control the particles' density fluctuations. The results show that the average translocation time versus polymer chain length satisfies a power-law scaling of τ ∼N(1.152). The conformational changes and translocation dynamics of polymers through the fluidic channel have also been investigated in our simulations, and two different translocation processes, i.e., the single-file and double-folded translocation events, have been observed in detail. These findings may be helpful in understanding the conformational and dynamic behaviors of such polymer and/or DNA molecules during the translocation processes.

  5. Programmable tactile pattern presentations operational under MRI to investigate neural mechanisms of tactile shape discrimination.

    PubMed

    Yang, Jiajia; Wu, Jinglong; He, Jiping

    2011-09-30

    We have developed a novel tactile presentation system for assessing and training cognitive function on tactile senses. The device is operational in magnetic resonance imaging (MRI) environment and capable of investigating the underlying neural mechanisms of tactile pattern discrimination. The primary components of the system include a finger movement control unit (FCU), a disk for multiple tactile pattern delivery (DPD), and a force-sensing unit (FSU). An ultrasonic motor rotates the DPD to deliver different tactile patterns for cognitive sensitivity test. We evaluated the operational reliability and the performance of the system in a MRI environment. The results showed that the system performance was not affected by the magnetic field, nor did the system operation interfere with the magnetic field either. The results from the two functional MRI experiments also indicated that the brain activation can be reliably detected with the present system. Furthermore, a tactile pattern discrimination experiment was conducted using the system to investigate cognitive characteristics of shape discrimination under active and passive touch conditions. We found that the mean accuracy of discrimination under active touch was significantly higher than that under passive touch. The high accuracy and magnetic field compatibility of the device suggest that the device provides a powerful means of investigating the neural mechanisms of perception and cognitive function for touch discrimination.

  6. Dissipative particle dynamics modeling of blood flow in arterial bifurcations

    NASA Astrophysics Data System (ADS)

    Li, Xuejin; Lykov, Kirill; Pivkin, Igor V.; Karniadakis, George Em

    2013-11-01

    The motion of a suspension of red blood cells (RBCs) flowing in bifurcations is investigated using both low-dimensional RBC (LD-RBC) and multiscale RBC (MS-RBC) models based on dissipative particle dynamics (DPD). The blood flow is first simulated in a symmetric geometry between the diverging and converging channels to satisfy the periodic flow assumption along the flow direction. The results show that the flowrate ratio of the daughter channels and the feed hematocrit level has considerable influence on blood-plasma separation. We also propose a new method to model the inflow and outflow boundaries for the blood flow simulations: the inflow at the inlet is duplicated from a fully developed flow generated by DPD fluid with periodic boundary conditions; the outflow in two adjacent regions near the outlet is controlled by adaptive forces to keep the flowrate and velocity gradient equal, while the particles leaving the microfluidic channel at the outlet at each time step are removed from the system. The simulation results of the developing flow match analytical solutions from continuum theory. Plasma skimming and the all-or-nothing phenomenon of RBCs in bifurcation have been investigated in the simulations. The simulation results are consistent with previous experimental results and theoretical predictions. This work is supported by the NIH Grant R01HL094270.

  7. Occurrence and production of chloramines in the chlorination of creatinine in aqueous solution.

    PubMed

    Tachikawa, Mariko; Aburada, Takashi; Tezuka, Masakatsu; Sawamura, Ryoji

    2005-01-01

    Occurrence and production of stable chloramines in the chlorination of creatinine, a constituent of perspiration and urine, in aqueous media were studied. Creatinine (5 x 10(-5)M) was treated with free chlorine in aqueous solutions at molar ratios of 0.5-8 (chlorine/creatinine) at pH 7.0 at room temperature for several days. At lower ratios of chlorine, two stable N-chlorocreatinine derivatives, which were determined as dichloramine fractions by the DPD method, were isolated by HPLC and identified by EI-MS and (1)H-NMR. One was 2-chloroamino-1-methylimidazolin-4-one (creatinine chloramine) and the other was 2-chloroamino-5-hydroxy-1-methylimidazolin-4-one (hydroxycreatinine chloramine). In addition, the formation of methylamine was identified by GC-MS analyses of its imine derivative formed with pentafluorobenzaldehyde. Methylamine forms stable chloramines, which might be determined as mono- and/or di-chloramine fractions together with free chlorine by the DPD method in the reaction mixtures at higher molar ratios of chlorine. In practice, small amounts of methylamine (ca. 19 microg/L) were detected in water samples collected from several swimming pools. Hence, methylamine may be an origin of elusive organic chloramine formed in the chlorination of swimming pools. A probable mechanism of the occurrence and processing of chlorination products of creatinine is suggested.

  8. Volatile disinfection by-product analysis from chlorinated indoor swimming pools.

    PubMed

    Weaver, William A; Li, Jing; Wen, Yuli; Johnston, Jessica; Blatchley, Michael R; Blatchley, Ernest R

    2009-07-01

    Chlorination of indoor swimming pools is practiced for disinfection and oxidation of reduced compounds that are introduced to water by swimmers. However, there is growing concern associated with formation for chlorinated disinfection by-products (DBPs) in these settings. Volatile DBPs are of particular concern because they may promote respiratory ailments and other adverse health effects among swimmers and patrons of indoor pool facilities. To examine the scope of this issue, water samples were collected from 11 pools over a 6month period and analyzed for free chlorine and their volatile DBP content. Eleven volatile DBPs were identified: monochloramine (NH(2)Cl), dichloramine (NHCl(2)), trichloramine (NCl(3)), chloroform (CHCl(3)), bromoform (CHBr(3)), dichlorobromomethane (CHBrCl(2)), dibromochloromethane (CHBr(2)Cl), cyanogen chloride (CNCl), cyanogen bromide (CNBr), dichloroacetonitrile (CNCHCl(2)), and dichloromethylamine (CH(3)NCl(2)). Of these 11 DBPs, 10 were identified as regularly occurring, with CHBrCl(2) only appearing sporadically. Pool water samples were analyzed for residual chlorine compounds using the DPD colorimetric method and by membrane introduction mass spectrometry (MIMS). These two methods were chosen as complementary measures of residual chlorine, and to allow for comparisons between the methods. The DPD method was demonstrated to consistently overestimate inorganic chloramine content in swimming pools. Pairwise correlations among the measured volatile DBPs allowed identification of dichloromethylamine and dichloroacetonitrile as potential swimming pool water quality indicator compounds.

  9. 5-Fluorouracil catabolism to 5-fluoro-5,6-dihydrouracil is reduced by acute liver impairment in mice

    SciTech Connect

    Innocenti, Federico; Danesi, Romano; Bocci, Guido; Natale, Gianfranco . E-mail: gianfranco.natale@anist.med.unipi.it; Del Tacca, Mario

    2005-03-01

    This study investigated the effect of acute liver damage on the inactivation of 5-fluorouracil (5-FU) to its main catabolite 5-fluoro-5,6-dihydrouracil (5-FUH{sub 2}) in mice. Plasma pharmacokinetics of 5-FU and 5-FUH{sub 2} in mice receiving 5-FU (10, 30, and 90 mg/kg) were compared to those in mice pretreated with carbon tetrachloride and receiving the same 5-FU doses. Carbon tetrachloride-induced hepatic damage was histopathologically examined under light microscopy and serum transaminases and dihydropyrimidine dehydrogenase activities were also measured. Liver histopathology and elevated aminotransferase activity levels confirmed the presence of liver damage. 5-FU C{sub max} and AUC both increased up to 71% in mice with liver damage. This was reflected by decreased 5-FUH{sub 2} production, since 5-FUH{sub 2} C{sub max} and AUC levels decreased up to 47% and 61%, respectively. Metabolic ratios between 5-FUH{sub 2} and 5-FU AUCs were considerably decreased as well, further suggesting that liver damage caused a reduction in 5-FU catabolism. DPD activity was not altered in damaged livers. The present results indicate that 5-FU disposition in mice could be profoundly altered in the presence of severe liver impairment, potentially leading to enhanced anabolic activation of 5-FU. This effect seems to be ascribed to a reduction of viable hepatocytes, rather than to an inactivation of DPD activity.

  10. [A case of advanced colon cancer with metastases to both para-aortic lymph nodes and cervical vertebrae effectively treated by TS-1 therapy].

    PubMed

    Ohnuma, Masaru; Uchiyama, Tetsuyuki; Abe, Tomoya; Nakagawa, Kei; Kamiyama, Yasuhiko; Watanabe, Mika; Moriya, Takuya; Ise, Hideo

    2006-04-01

    The patient was a 68-year-old woman who had cecal cancer with para-aortic lymph node metastases. Ileocecal resection was performed palliatively. Since metastasis to cervical vertebrae was detected after the operation, she received radiation therapy of 14 Gy to improve neck pain. Chemotherapy with TS-1 (80 mg/day) was started on an outpatient basis (4 weeks administration followed by a 2-week drug-free period). After 4 courses of this chemotherapy, metastases to both para-aortic lymph nodes and cervical vertebrae were remarkably reduced on CT and PET. Throughout the period of treatment, there was no adverse effect and this treatment has been maintained. In conclusion, this case seems significant from the viewpoint of achieving a partial response to TS-1 and maintaining a high quality of life. Moreover,we identified the presence of TS and DPD using an immunohistochemical staining technique. The primary tumor was positive for DPD stain test and negative for TS stain test. It was suggested that this cancer especially would respond to TS-1 chemotherapy.

  11. Three-dimensional ultrasound evaluation of the placenta.

    PubMed

    Hata, T; Tanaka, H; Noguchi, J; Hata, K

    2011-02-01

    Conventional two-dimensional (2D) ultrasound has been widely used for the evaluation of the placenta during pregnancy. This 2D ultrasound evaluation includes the morphology, anatomy, location, implantation, anomaly, size, and color/power and pulsed Doppler sonographic assessment of the placenta. The introduction of three-dimensional (3D) ultrasound would facilitate the novel assessment of the placenta, such as surface-rendered imaging and volume measurement. With the recent advances in 3D power Doppler (3DPD) ultrasound as well as quantitative 3DPD histogram analysis, quantitative and qualitative assessments of the vascularization and blood flow of the placenta have become feasible. These novel techniques may assist in the evaluation of the feto-placental function, and offer potential advantages relative to conventional 2D sonographic assessments. 3D ultrasound may be an important modality in future placental research, in the evaluation of feto-placental insufficiency in clinical practice, and in the prediction of fetal growth restriction and pre-eclampsia, although some limitations regarding the assessment of the placenta employing 3D ultrasound still remain unresolved.

  12. Counterintuitive cooperative endocytosis of like-charged nanoparticles in cellular internalization: computer simulation and experiment.

    PubMed

    Li, Ye; Yuan, Bing; Yang, Kai; Zhang, Xianren; Yan, Bing; Cao, Dapeng

    2017-02-24

    The nanoparticles (NPs) functionalized with charged ligands are of particular significance due to their potential drug/gene delivery and biomedical applications. However, the molecular mechanism of endocytosis of the charged NPs by cells, especially the effect of the NP-NP and NP-biomembrane interactions on the internalization pathways is still poorly understood. In this work, we systematically investigate the internalization behaviors of the positively charged NPs by combining experiment technology and dissipative particle dynamics (DPD) simulation. We experimentally find an interesting but highly counterintuitive phenomenon, i.e. the multiple positively charged NPs prefer to enter cells cooperatively although the like-charged NPs have obvious electrostatic repulsion. Furthermore, we adopt the DPD simulation to confirm the experimental findings, and reveal that the mechanism of the cooperative endocytosis between like-charged NPs is definitely caused by the interplay of particle size, the charged ligand density on particle surface and local concentration of NPs. Importantly, we not only observe the normal cooperative endocytosis of like-charged NPs in cell biomembrane like neutral NP case, but also predict the 'bud' cooperative endocytosis of like-charged NPs which is absence in the neutral NP case. The results indicate that electrostatic repulsion between the positively charged nanoparticles plays an important role in the 'bud' cooperative endocytosis of like-charged NPs.

  13. Cross-linguistic comparison of speech errors produced by English- and French-speaking preschool-age children with developmental phonological disorders.

    PubMed

    Brosseau-Lapré, Françoise; Rvachew, Susan

    2014-04-01

    Twenty-four French-speaking children with developmental phonological disorders (DPD) were matched on percentage of consonants correct (PCC)-conversation, age, and receptive vocabulary measures to English-speaking children with DPD in order to describe how speech errors are manifested differently in these two languages. The participants' productions of consonants on a single-word test of articulation were compared in terms of feature-match ratios for the production of target consonants, and type of errors produced. Results revealed that the French-speaking children had significantly lower match ratios for the major sound class features [+ consonantal] and [+ sonorant]. The French-speaking children also obtained significantly lower match ratios for [+ voice]. The most frequent type of errors produced by the French-speaking children was syllable structure errors, followed by segment errors, and a few distortion errors. On the other hand, the English-speaking children made more segment than syllable structure and distortion errors. The results of the study highlight the need to use test instruments with French-speaking children that reflect the phonological characteristics of French at multiple levels of the phonological hierarchy.

  14. Multiscale study of the self-organized gradient effect of novel hole injection material PEDOT:PSS:PFI

    NASA Astrophysics Data System (ADS)

    Huang, Min

    2016-09-01

    Conducting polymers, poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) has been widely used as the hole injection layer (HIL) in many applications. However, in OLEDs the commonly used PEDOT:PSS has been found to have serious problems due to its inefficient holeinjection, inefficient electron-blocking, and substantial quenching of excitons close to the PEDOT:PSS. In the literature, tetrafluoroethylene-perfluoro-3,6-dioxa-4-methyl-7-octene-sulfonic acid copolymer, one of perfluorinated ionomers (PFI), was introduced into the PEDOT:PSS layer to develop a gradient work function (WF) by self-organization of the PFI. In this contribution, the self-organized gradient effect of this novel PEDOT:PSS:PFI layer were studied using multiscale analysis and dissipative particle dynamics (DPD) simulation. The DPD inter particle repulsion parameters and intramolecular bonding parameters were obtained by reverse mapping of a series of molecular dynamics simulations similar to that used in the earlier contributions. The calculated Flory-Huggins parameters indicated that the Nafion portion of the copolymer attracts PSS while the entire PFI molecule repulses PEDOT, which results in a PFI rich interface and a vertical gradient concentration distribution of PEDOT along the vertical direction of the film layer.

  15. Finite-size effects in dissipative particle dynamics simulations.

    PubMed

    Velázquez, María Eugenia; Gama-Goicochea, Armando; González-Melchor, Minerva; Neria, Maricela; Alejandre, José

    2006-02-28

    We have performed dissipative particle dynamics (DPD) simulations to evaluate the effect that finite size of transversal area has on stress anisotropy and interfacial tension. The simulations were carried out in one phase and two phases in parallelepiped cells. In one-phase simulations there is no finite-size effect on stress anisotropy when the simulation is performed using repulsive forces. However, an oscillatory function of stress anisotropy is found for attractive-repulsive interactions. In the case of liquid-liquid interfaces with repulsive interaction between molecules, there is only a small effect of surface area on interfacial tension when the simulations are performed using the Monte Carlo method at constant temperature and normal pressure. An important but artificial finite-size effect of interfacial area on surface tension is found in simulations in the canonical ensemble. Reliable results of interfacial tension from DPD simulations can be obtained using small systems, less than 2000 particles, when they interact exclusively with repulsive forces.

  16. Transport of diseased red blood cells in the spleen

    NASA Astrophysics Data System (ADS)

    Peng, Zhangli; Pivkin, Igor; Dao, Ming

    2012-11-01

    A major function of the spleen is to remove old and diseased red blood cells (RBCs) with abnormal mechanical properties. We investigated this mechanical filtering mechanism by combining experiments and computational modeling, especially for red blood cells in malaria and sickle cell disease (SCD). First, utilizing a transgenic line for 3D confocal live imaging, in vitro capillary assays and 3D finite element modeling, we extracted the mechanical properties of both the RBC membrane and malaria parasites for different asexual malaria stages. Secondly, using a non-invasive laser interferometric technique, we optically measured the dynamic membrane fluctuations of SCD RBCs. By simulating the membrane fluctuation experiment using the dissipative particle dynamics (DPD) model, we retrieved mechanical properties of SCD RBCs with different shapes. Finally, based on the mechanical properties obtained from these experiments, we simulated the full fluid-structure interaction problem of diseased RBCs passing through endothelial slits in the spleen under different fluid pressure gradients using the DPD model. The effects of the mechanical properties of the lipid bilayer, the cytoskeleton and the parasite on the critical pressure of splenic passage of RBCs were investigated separately. This work is supported by NIH and Singapore-MIT Alliance for Science and Technology (SMART).

  17. Evaluation of approaches to quantify total residual oxidants in ballast water management systems employing chlorine for disinfection.

    PubMed

    Zimmer-Faust, Amity G; Ambrose, Richard F; Tamburri, Mario N

    2014-01-01

    With the maturation and certification of several ballast water management systems that employ chlorine as biocide to prevent the spread of invasive species, there is a clear need for accurate and reliable total residual oxidants (TRO) technology to monitor treatment dose and assure the environmental safety of treated water discharged from ships. In this study, instruments used to measure TRO in wastewater and drinking water applications were evaluated for their performance in scenarios mimicking a ballast water treatment application (e.g., diverse hold times, temperatures, and salinities). Parameters chosen for testing these technologies in the past do not reflect conditions expected during ballast water treatment. Salinity, temperature, and oxidant concentration all influenced the response of amperometric sensors. Oxidation reduction potential (ORP) sensors performed more consistently than amperometric sensors under different conditions but it may be difficult to correlate ORP and TRO measurements for the multitude of biogeochemical conditions found naturally in ballast water. N,N-diethyl-p-phenylenediamine (DPD) analyzers and amperometric sensors were also tested under intermittent sampling conditions mimicking a ballasting scenario, with cyclical dosage and discharge operations. When sampling was intermittent, amperometric sensors required excessive response and conditioning times, whereas DPD analyzers provided reasonable estimates of TRO under the ballasting scenario.

  18. Counterintuitive cooperative endocytosis of like-charged nanoparticles in cellular internalization: computer simulation and experiment

    NASA Astrophysics Data System (ADS)

    Li, Ye; Yuan, Bing; Yang, Kai; Zhang, Xianren; Yan, Bing; Cao, Dapeng

    2017-02-01

    The nanoparticles (NPs) functionalized with charged ligands are of particular significance due to their potential drug/gene delivery and biomedical applications. However, the molecular mechanism of endocytosis of the charged NPs by cells, especially the effect of the NP–NP and NP–biomembrane interactions on the internalization pathways is still poorly understood. In this work, we systematically investigate the internalization behaviors of the positively charged NPs by combining experiment technology and dissipative particle dynamics (DPD) simulation. We experimentally find an interesting but highly counterintuitive phenomenon, i.e. the multiple positively charged NPs prefer to enter cells cooperatively although the like-charged NPs have obvious electrostatic repulsion. Furthermore, we adopt the DPD simulation to confirm the experimental findings, and reveal that the mechanism of the cooperative endocytosis between like-charged NPs is definitely caused by the interplay of particle size, the charged ligand density on particle surface and local concentration of NPs. Importantly, we not only observe the normal cooperative endocytosis of like-charged NPs in cell biomembrane like neutral NP case, but also predict the ‘bud’ cooperative endocytosis of like-charged NPs which is absence in the neutral NP case. The results indicate that electrostatic repulsion between the positively charged nanoparticles plays an important role in the ‘bud’ cooperative endocytosis of like-charged NPs.

  19. Modeling of Red Blood Cells and Related Spleen Function

    NASA Astrophysics Data System (ADS)

    Peng, Zhangli; Pivkin, Igor; Dao, Ming

    2011-11-01

    A key function of the spleen is to clear red blood cells (RBCs) with abnormal mechanical properties from the circulation. These abnormal mechanical properties may be due to RBC aging or RBC diseases, e.g., malaria and sickle cell anemia. Specifically, 10% of RBCs passing through the spleen are forced to squeeze into the narrow slits between the endothelial cells, and stiffer cells which get stuck are killed and digested by macrophages. To investigate this important physiological process, we employ three different approaches to study RBCs passage through these small slits, including analytical theory, Dissipative Particle Dynamics (DPD) simulation and Multiscale Finite Element Method (MS-FEM). By applying the analytical theory, we estimate the critical limiting geometries RBCs can pass. By using the DPD method, we study the full fluid-structure interaction problem, and compute RBC deformation under different pressure gradients. By employing the MS-FEM approach, we model the lipid bilayer and the cytoskeleton as two distinct layers, and focus on the cytoskeleton deformation and the bilayer-skeleton interaction force at the molecular level. Finally the results of these three approaches are compared to each other and correlated to the experimental observations.

  20. A Novel Pickup Head Design for DVD-Multi System

    NASA Astrophysics Data System (ADS)

    Huang, Der-Ray; Ju, Jau-Jiu; Wei, Li-Ding; Chang, Chi-Lone; Shih, Hsi-Fu; Yang, Tzu-Ping

    2001-02-01

    This paper introduces a novel holographic optical element (HOE) pattern design to generate focusing and tracking signal for using in digital versatile disc DVD-multi pickup heads. The digital verstile disk (DVD) multi drive will be able to read disks written in the DVD-ROM, DVD-video, DVD-audio, DVD-R/W, and DVD-R formats. DVD multi drive will also be able to write disks in the DVD-RAM and DVD-RW/R formats. The HOE design provides the focusing error signal and both differential phase detection (DPD) and pushpull tracking signals for DVD-ROM disks and rewritable land-groove disks. The HOE pattern is divided into two main regions. The inner region is for focus detection and the outer region is for DPD and Pushpull tracking detection. In this study, a rotary actuator is used to reduce the tilt angle of the objective lens in the DVD-multi pickup head. The finite element method of the actuator is studied to analyze the resonance of the structure and the magnetic field of the voice coil motor.

  1. Experimental observations and dissipative particle dynamic simulations on microstructures of pH-sensitive polymer containing amorphous solid dispersions.

    PubMed

    Sun, Mengchi; Li, Bingyu; Li, Yanchun; Liu, Yangdan; Liu, Qi; Jiang, Hailun; He, Zhonggui; Zhao, Yongshan; Sun, Jin

    2017-01-30

    Amorphous solid dispersion (ASD) technique is an effective strategy to increase the dissolution rate of poorly soluble drugs. However, it is inherently unstable, and the molecular basis for achieving kinetic stability is not well understood. In this study, lacidipine-Eudragit_E_100 solid dispersions with 20% drug loading were prepared using the solvent evaporation. Dissolution tested showed that ASD had a significantly high rate, which was dependent on the pH of the medium. Based on time-dependent measurement of supersaturation and particle size, inhibition of crystal growth by Eudragit_E_100 differed at pH 1.2 and 6.8 to a great extent. Dissipative particle dynamic (DPD) simulation revealed that at pH 1.2, the swollen microstructures of the particles were associated with rapid drug release. At pH 6.8, a compacted microstructure of small amorphous particle-aggregated large particles was associated with slow dissolution. The DPD simulation provides insight into the structural basis for experimental observations, and thus is a useful tool to investigate the microstructures of ASD.

  2. Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics.

    PubMed

    Yong, Xin; Zhang, Lucy T

    2013-02-28

    The thermostats in molecular dynamics (MD) simulations of highly confined channel flow may have significant influences on the fidelity of transport phenomena. In this study, we exploit non-equilibrium MD simulations to generate Couette flows with different combinations of thermostat algorithms and strategies. We provide a comprehensive analysis on the effectiveness of three thermostat algorithms Nosé-Hoover chain (NHC), Langevin (LGV) and dissipative particle dynamics (DPD) when applied in three thermostat strategies, thermostating either walls (TW) or fluid (TF), and thermostating both the wall and fluid (TWTF). Our results of thermal and mechanical properties show that the TW strategy more closely resembles experimental conditions. The TF and TWTF systems also produce considerably similar behaviors in weakly sheared systems, but deviate the dynamics in strongly sheared systems due to the isothermal condition. The LGV and DPD thermostats used in the TF and TWTF systems provide vital ways to yield correct dynamics in coarse-grained systems by tuning the fluid transport coefficients. Using conventional NHC thermostat to thermostat fluid only produces correct thermal behaviors in weakly sheared systems, and breaks down due to significant thermal inhomogeneity in strongly sheared systems.

  3. Dissipative particle dynamics simulations of deformation and aggregation of healthy and diseased red blood cells in a tube flow

    SciTech Connect

    Ye, Ting; Phan-Thien, Nhan Khoo, Boo Cheong; Lim, Chwee Teck

    2014-11-15

    In this paper, we report simulation results assessing the deformation and aggregation of mixed healthy and malaria-infected red blood cells (RBCs) in a tube flow. A three dimensional particle model based on Dissipative Particle Dynamics (DPD) is developed to predict the tube flow containing interacting cells. The cells are also modelled by DPD, with a Morse potential to characterize the cell-cell interaction. As validation tests, a single RBC in a tube flow and two RBCs in a static flow are simulated to examine the cell deformation and intercellular interaction, respectively. The study of two cells, one healthy and the other malaria-infected RBCs in a tube flow demonstrates that the malaria-infected RBC (in the leading position along flow direction) has different effects on the healthy RBC (in the trailing position) at the different stage of parasite development or at the different capillary number. With parasitic development, the malaria-infected RBC gradually loses its deformability, and in turn the corresponding trailing healthy RBC also deforms less due to the intercellular interaction. With increasing capillary number, both the healthy and malaria-infected RBCs are likely to undergo an axisymmetric motion. The minimum intercellular distance becomes small enough so that rouleaux is easily formed, i.e., the healthy and malaria-infected RBCs are difficultly disaggregated.

  4. The Preemptive Stocker Dispatching Rule of Automatic Material Handling System in 300 mm Semiconductor Manufacturing Factories

    NASA Astrophysics Data System (ADS)

    Wang, C. N.; Lin, H. S.; Hsu, H. P.; Wang, Yen-Hui; Chang, Y. P.

    2016-04-01

    The integrated circuit (IC) manufacturing industry is one of the biggest output industries in this century. The 300mm wafer fabs is the major fab size of this industry. The automatic material handling system (AMHS) has become one of the most concerned issues among semiconductor manufacturers. The major lot delivery of 300mm fabs is used overhead hoist transport (OHT). The traffic jams are happened frequently due to the wide variety of products and big amount of OHTs moving in the fabs. The purpose of this study is to enhance the delivery performance of automatic material handling and reduce the delay and waiting time of product transportation for both hot lots and normal lots. Therefore, this study proposes an effective OHT dispatching rule: preemptive stocker dispatching (PSD). Simulation experiments are conducted and one of the best differentiated preemptive rule, differentiated preemptive dispatching (DPD), is used for comparison. Compared with DPD, The results indicated that PSD rule can reduce average variable delivery time of normal lots by 13.15%, decreasing average variable delivery time of hot lots by 17.67%. Thus, the PSD rule can effectively reduce the delivery time and enhance productivity in 300 mm wafer fabs.

  5. Evaluation of the effects of caffeine in the microcirculation and edema on thighs and buttocks using the orthogonal polarization spectral imaging and clinical parameters.

    PubMed

    Lupi, Omar; Semenovitch, Ivan Jorge; Treu, Curt; Bottino, Daniel; Bouskela, Eliete

    2007-06-01

    Gynoid lipodystrophy, also known as cellulite, is a common multifactorial entity that affects millions of women around the world. There have been few scientific articles dealing with its physiology and treatment in the past few years, and vascular changes seem to play an important role in its pathophysiology. Skin microvascular alterations can be observed noninvasively with a new method called orthogonal polarization spectral imaging, which was used to evaluate the effectiveness of an anticellulite drug composed mainly of a 7% caffeine solution. Microcirculatory parameters evaluated were functional capillary density (FCD; number of flowing capillaries per unit area), diameter of the dermic papilla (DPD), and capillary diameter (CD). The clinical parameters analyzed were centimetrical measurements of thighs and hips and the influence of tobacco, alcohol, and physical activities on the efficacy of the treatment. After 1 month of treatment, statistical application of chi-squared and Z approximation tests showed, in treated patients, statistically significant reduction of thigh circumferences in more than 80% of the cases and reduction of hip circumference in 67.7%. FCD, DPD, and CD did not change significantly after treatment. Smoking as well as alcohol consumption and regular physical activity were not significantly related to the centimetrical reduction observed in treated thighs and hips.

  6. Multi-dimensional crest factor reduction and digital predistortion for multi-band radio-over-fiber links.

    PubMed

    Chen, Hao; Li, Jianqiang; Yin, Chunjing; Xu, Kun; Dai, Yitang; Yin, Feifei

    2014-08-25

    A multi-dimensional crest factor reduction (MD-CFR) technique is proposed to improve the performance and efficiency of multi-band radio-over-fiber (RoF) links. Cooperating with multi-dimensional digital predistortion (MD-DPD), MD-CFR increases the performance of both directly-modulated and externally-modulated RoF links, in terms of error vector magnitude (EVM) and adjacent channel power ratio (ACPR). For directly-modulated RoF link, more than 5 dB output ACPR reduction is obtained, output EVMs are reduced from 11.83% and 12.47% to 7.51% and 7.26% for two bands respectively, while only a slight improvement to 11.58% and 10.78% is obtained solely using MD-DPD. Similar results are achieved in externally-modulated RoF link. Given a threshold in EVM or ACPR, the RF power transmit efficiency is also further enhanced.

  7. Graphene quantum dot as a green and facile sensor for free chlorine in drinking water.

    PubMed

    Dong, Yongqiang; Li, Geli; Zhou, Nana; Wang, Ruixue; Chi, Yuwu; Chen, Guonan

    2012-10-02

    Free chlorine was found to be able to destroy the passivated surface of the graphene quantum dots (GQDs) obtained by pyrolyzing citric acid, resulting in significant quenching of their fluorescence (FL) signal. After optimizing some experimental conditions (including response time, concentration of GQDs, and pH value of solution), a green and facile sensing system has been developed for the detection of free residual chlorine in water based on FL quenching of GQDs. The sensing system exhibits many advantages, such as short response time, excellent selectivity, wide linear response range, and high sensitivity. The linear response range of free chlorine (R(2) = 0.992) was from 0.05 to 10 μM. The detection limit (S/N = 3) was as low as 0.05 μM, which is much lower than that of the most widely used N-N-diethyl-p-phenylenediamine (DPD) colorimetric method. This sensing system was finally used to detect free residual chlorine in local tap water samples. The result agreed well with that by the DPD colorimetric method, suggesting the potential application of this new, green, sensitive, and facile sensing system in drinking water quality monitoring.

  8. Dissipative particle dynamics simulations of the viscosities of molten TNT and molten TNT suspensions containing nanoparticles.

    PubMed

    Zhou, Yang; Li, Yixue; Qian, Wen; He, Bi

    2016-09-01

    Based on dissipative particle dynamics (DPD) methods and experimental data, we used an empirical relationship between the DPD temperature and the real temperature to build a model that describes the viscosity of molten TNT fluids. The errors in the predicted viscosity based on this model were no more than 2.3 %. We also studied the steady-state shear rheological behavior of molten TNT fluids containing nanoparticles ("nanofluids"). The dependence of the nanofluid viscosity on the temperature was found to satisfy an Arrhenius-type equation, η = Ae (B/T) , where B, the flow activation energy, depends on particle content, size, and shape. We modified the Einstein-type viscosity model to account for the effects of nanoparticle solvation in TNT nanofluids. The resulting model was able to correctly predict the viscosities of suspensions containing nano- to microsized particles, and did not require any changes to the physical background of Einstein's viscosity theory. Graphical Abstract The revised Einstein viscosity model that correctly predict the viscosity of TNT suspensions containing nanoparticles.

  9. A combination of biochemical markers of cartilage and bone turnover, radiographic damage and body mass index to predict the progression of joint destruction in patients with rheumatoid arthritis treated with disease-modifying anti-rheumatic drugs.

    PubMed

    Hashimoto, Jun; Garnero, Patrick; van der Heijde, Désirée; Miyasaka, Nobuyuki; Yamamoto, Kazuhiko; Kawai, Shinichi; Takeuchi, Tsutomu; Yoshikawa, Hideki; Nishimoto, Norihiro

    2009-01-01

    The aim of this study was to evaluate the predictive value of biological, radiological and clinical parameters for the progression of radiographic joint damage in rheumatoid arthritis (RA) patients treated with conventional disease-modifying anti-rheumatic drugs (DMARDs). We analyzed the 145 patients with active RA for less than 5 years who were participating in the prospective 1-year randomized controlled trial of tocilizumab (SAMURAI trial) as a control arm treated with conventional DMARDs. Progression of joint damage was assessed by sequential radiographs read by two independent blinded X-ray readers and scored for bone erosion and joint space narrowing (JSN) using the van der Heijde-modified Sharp method. Multivariate analysis revealed that increased urinary levels of C-terminal crosslinked telopeptide of type II collagen (U-CTX-II), an increased urinary total pyridinoline/total deoxypyridinoline (U-PYD/DPD) ratio and low body mass index (BMI) at baseline were independently associated with a higher risk for progression of bone erosion. In addition to these three variables, the JSN score at baseline was also significantly associated with an increased risk of progression of the JSN score and total Sharp score. High baseline U-CTX-II levels, U-PYD/DPD ratio and JSN score and a low BMI are independent predictive markers for the radiographically evident joint damage in patients with RA treated with conventional DMARDs.

  10. Determination of rapid chlorination rate constants by a stopped-flow spectrophotometric competition kinetics method.

    PubMed

    Song, Dean; Liu, Huijuan; Qiang, Zhimin; Qu, Jiuhui

    2014-05-15

    Free chlorine is extensively used for water and wastewater disinfection nowadays. However, it still remains a big challenge to determine the rate constants of rapid chlorination reactions although competition kinetics and stopped-flow spectrophotometric (SFS) methods have been employed individually to investigate fast reaction kinetics. In this work, we proposed an SFS competition kinetics method to determine the rapid chlorination rate constants by using a common colorimetric reagent, N,N-diethyl-p-phenylenediamine (DPD), as a reference probe. A kinetic equation was first derived to estimate the reaction rate constant of DPD towards chlorine under a given pH and temperature condition. Then, on that basis, an SFS competition kinetics method was proposed to determine directly the chlorination rate constants of several representative compounds including tetracycline, ammonia, and four α-amino acids. Although Cl2O is more reactive than HOCl, its contribution to the overall chlorination kinetics of the test compounds could be neglected in this study. Finally, the developed method was validated through comparing the experimentally measured chlorination rate constants of the selected compounds with those obtained or calculated from literature and analyzing with Taft's correlation as well. This study demonstrates that the SFS competition kinetics method can measure the chlorination rate constants of a test compound rapidly and accurately.

  11. Template-Free Bottom-Up Method for Fabricating Diblock Copolymer Patchy Particles.

    PubMed

    Ye, Xianggui; Li, Zhan-Wei; Sun, Zhao-Yan; Khomami, Bamin

    2016-05-24

    Patchy particles are one of most important building blocks for hierarchical structures because of the discrete patches on their surface. We have demonstrated a convenient, simple, and scalable bottom-up method for fabricating diblock copolymer patchy particles through both experiments and dissipative particle dynamics (DPD) simulations. The experimental method simply involves reducing the solvent quality of the diblock copolymer solution by the slow addition of a nonsolvent. Specifically, the fabrication of diblock copolymer patchy particles begins with a crew-cut soft-core micelle, where the micelle core is significantly swelled by the solvent. With water addition at an extremely slow rate, the crew-cut soft-core micelles first form a larger crew-cut micelle. With further water addition, the corona-forming blocks of the crew-cut micelles begin to aggregate and eventually form well-defined patches. Both experiments and DPD simulations indicate that the number of patches has a very strong dependence on the diblock copolymer composition-the particle has more patches on the surface with a lower volume fraction of patch-forming blocks. Furthermore, particles with more patches have a greater ability to assemble, and particles with fewer patches have a greater ability to merge once assembled.

  12. Mesoscopic Modeling of Thrombus Formation and Growth: Platelet Deposition in Complex Geometries

    NASA Astrophysics Data System (ADS)

    Yazdani, Alireza; Karniadakis, George

    2014-11-01

    Haemodynamics and blood rheology are important contributing factors to thrombus formation at a vulnerable vessel wall, and adhesion of platelets to a vascular surface, particularly in regions of flow stagnation, recirculation and reattachment is significantly important in formation of thrombi. For example, haemodynamic micro-environment can have effects on thrombosis inside the atherosclerotic plaques and aneurysms. To study these effects, we have developed and validated a model for platelet aggregation in blood flow using Dissipative Particle Dynamics (DPD) method. In this model platelets are considered as single DPD particles interacting with each other via Morse potential once activated. We assign an activation delay time to each platelet such that they remain passive during that time. We investigate the effect of different geometries on platelet aggregation by considering arterial stenosis at different levels of occlusion, and aneurysms of different shapes and sizes. The results show a marked increase in platelet aggregation within the boundaries of deceleration zone by increasing the degree of stenosis. Further, we observe enhanced platelet margination and wall deposition in the presence of red blood cells.

  13. Seasonal influence over serum and urine metabolic markers in submariners during prolonged patrols

    PubMed Central

    Holy, Xavier; Bégot, Laurent; Renault, Sylvie; Butigieg, Xavier; André, Catherine; Bonneau, Dominique; Savourey, Gustave; Collombet, Jean-Marc

    2015-01-01

    Within the framework of earlier publications, we have consistently dedicated our investigations to eliciting the effects of both seasonal vitamin D deficiency and submarine-induced hypercapnia on serum parameters for acid–base balance and bone metabolism in submariners over a 2-month winter (WP) or summer (SP) patrols. The latest findings reported herein, contribute further evidence with regard to overall physiological regulations in the same submariner populations that underwent past scrutiny. Hence, urine and blood samples were collected in WP and SP submariners at control prepatrol time as well as on submarine patrol days 20, 41, and 58. Several urine and serum metabolic markers were quantified, namely, deoxypyridinoline (DPD), lactate, albumin, creatinine, nonesterified fatty acids (NEFA), and ionized sodium (Na+) or potassium (K+), with a view to assessing bone, muscle, liver, or kidney metabolisms. We evidenced bone metabolism alteration (urine DPD, calcium, and phosphorus) previously recorded in submarine crewmembers under prolonged patrols. We also highlighted transitory modifications in liver metabolism (serum albumin) occurring within the first 20 days of submersion. We further evidenced changes in submariners’ renal physiology (serum creatinine) throughout the entire patrol time span. Measurements of ionic homeostasis (serum Na+ and K+) displayed potential seasonal impact over active ionic pumps in submariners. Finally, there is some evidence that submersion provides beneficial conditions prone to fend off seasonal lactic acidosis (serum lactate) detected in WP submariners. PMID:26265754

  14. Job optimization in ATLAS TAG-based distributed analysis

    NASA Astrophysics Data System (ADS)

    Mambelli, M.; Cranshaw, J.; Gardner, R.; Maeno, T.; Malon, D.; Novak, M.

    2010-04-01

    The ATLAS experiment is projected to collect over one billion events/year during the first few years of operation. The efficient selection of events for various physics analyses across all appropriate samples presents a significant technical challenge. ATLAS computing infrastructure leverages the Grid to tackle the analysis across large samples by organizing data into a hierarchical structure and exploiting distributed computing to churn through the computations. This includes events at different stages of processing: RAW, ESD (Event Summary Data), AOD (Analysis Object Data), DPD (Derived Physics Data). Event Level Metadata Tags (TAGs) contain information about each event stored using multiple technologies accessible by POOL and various web services. This allows users to apply selection cuts on quantities of interest across the entire sample to compile a subset of events that are appropriate for their analysis. This paper describes new methods for organizing jobs using the TAGs criteria to analyze ATLAS data. It further compares different access patterns to the event data and explores ways to partition the workload for event selection and analysis. Here analysis is defined as a broader set of event processing tasks including event selection and reduction operations ("skimming", "slimming" and "thinning") as well as DPD making. Specifically it compares analysis with direct access to the events (AOD and ESD data) to access mediated by different TAG-based event selections. We then compare different ways of splitting the processing to maximize performance.

  15. Possible role of aerosols in the charge structure of isolated thunderstorms

    NASA Astrophysics Data System (ADS)

    Pawar, S. D.; Gopalakrishnan, V.; Murugavel, P.; Veremey, N. E.; Sinkevich, A. A.

    2017-01-01

    The electric field and Maxwell current density measured below 32 small isolated thunderstorms over Pune (India) have been analyzed here. These data clearly show the presence of 10 out of 32 thunderstorms with inverted polarity charge structure. Values of Aerosol Optical Depth (AOD) on thunderstorm days taken from MODIS show that all the thunderstorms with inverted polarity occurred on days with significantly higher AOD compared to normal polarity thunderstorms. The peak flash rate did not show significant difference between normal polarity thunderstorms and inverted polarity thunderstorms. The dew point depression (DPD) during pre-monsoon thunderstorms shows good correlation with inverted polarity charge structure. Observations suggest that aerosol concentration plays an important role in the formation of inverted polarity charge structure in these thunderclouds. In presence of high aerosol concentration with adequate ice nuclei non-inductive charging mechanism can produce strong and wide spread positive charge region in the lower portion of cloud. However, observed good correlation of DPD with inverted polarity charge structure in the pre-monsoon period suggest that the effect of high cloud base height on inverted polarity charge structure as suggested by Williams et al. (2005) cannot be ruled out.

  16. Dynamic control of the location of nanoparticles in hybrid co-assemblies

    NASA Astrophysics Data System (ADS)

    Su, Zhilong; Li, Xiaokang; Jiang, Xuesong; Lin, Shaoliang; Yin, Jie

    2015-03-01

    We herein demonstrated an approach to control the spatial distribution of components in hybrid microspheres. Hybrid core-shell structured microspheres (CSMs) prepared through co-assembly were used as starting materials, which are comprised of anthracene-ended hyperbranched poly(ether amine) (AN-hPEA) in the shell and crystallized anthracene containing polyhedral oligomer silsesquioxane (AN-POSS). Upon thermal annealing at a temperature higher than the melting point of AN-POSS, the diffusion of AN-POSS from the core to the shell of CSM leads to a transition of morphology from the core-shell structure to core-transition-shell to the more stable homogeneous morphology, which has been revealed by experimental results of TEM and DSC. The mechanism for the morphology transition of CSM induced by the diffusion of AN-POSS was disclosed by a dissipative particle dynamics (DPD) simulation. A mathematical model for the diffusion of POSS in the hybrid microsphere is established according to Fick's law of diffusion and can be used to quantify its distribution in CSM. Thus, the spatial distribution of POSS in the microsphere can be controlled dynamically by tuning the temperature and time of thermal annealing.We herein demonstrated an approach to control the spatial distribution of components in hybrid microspheres. Hybrid core-shell structured microspheres (CSMs) prepared through co-assembly were used as starting materials, which are comprised of anthracene-ended hyperbranched poly(ether amine) (AN-hPEA) in the shell and crystallized anthracene containing polyhedral oligomer silsesquioxane (AN-POSS). Upon thermal annealing at a temperature higher than the melting point of AN-POSS, the diffusion of AN-POSS from the core to the shell of CSM leads to a transition of morphology from the core-shell structure to core-transition-shell to the more stable homogeneous morphology, which has been revealed by experimental results of TEM and DSC. The mechanism for the morphology transition

  17. Predicting dynamics and rheology of blood flow: A comparative study of multiscale and low-dimensional models of red blood cells.

    PubMed

    Pan, Wenxiao; Fedosov, Dmitry A; Caswell, Bruce; Karniadakis, George Em

    2011-09-01

    We compare the predictive capability of two mathematical models for red blood cells (RBCs) focusing on blood flow in capillaries and arterioles. Both RBC models as well as their corresponding blood flows are based on the dissipative particle dynamics (DPD) method, a coarse-grained molecular dynamics approach. The first model employs a multiscale description of the RBC (MS-RBC), with its membrane represented by hundreds or even thousands of DPD-particles connected by springs into a triangular network in combination with out-of-plane elastic bending resistance. Extra dissipation within the network accounts for membrane viscosity, while the characteristic biconcave RBC shape is achieved by imposition of constraints for constant membrane area and constant cell volume. The second model is based on a low-dimensional description (LD-RBC) constructed as a closed torus-like ring of only 10 large DPD colloidal particles. They are connected into a ring by worm-like chain (WLC) springs combined with bending resistance. The LD-RBC model can be fitted to represent the entire range of nonlinear elastic deformations as measured by optical-tweezers for healthy and for infected RBCs in malaria. MS-RBCs suspensions model the dynamics and rheology of blood flow accurately for any vessel size but this approach is computationally expensive for vessel diameters above 100μm. Surprisingly, the much more economical suspensions of LD-RBCs also capture the blood flow dynamics and rheology accurately except for small-size vessels comparable to RBC diameter. In particular, the LD-RBC suspensions are shown to properly capture the experimental data for the apparent viscosity of blood and its cell-free layer (CFL) in tube flow. Taken together, these findings suggest a hierarchical approach in modeling blood flow in the arterial tree, whereby the MS-RBC model should be employed for capillaries and arterioles below 100μm, the LD-RBC model for arterioles, and the continuum description for arteries.

  18. Why there is a need to discuss pulmonary hypertension other than pulmonary arterial hypertension?

    PubMed

    Papathanasiou, Athanasios; Nakos, George

    2015-11-04

    Pulmonary hypertension (PH) is a condition characterized by the elevation of the mean pulmonary artery pressure above 25 mmHg and the pulmonary vascular resistance above 3 wood units. Pulmonary arterial hypertension (PAH) is an uncommon condition with severe morbidity and mortality, needing early recognition and appropriate and specific treatment. PH is frequently associated with hypoxemia, mainly chronic obstructive pulmonary disease and DPLD and/or left heart diseases (LHD), mainly heart failure with reduced or preserved ejection fraction. Although in the majority of patients with PH the cause is not PAH, a significant number of published studies are still in regard to group I PH, leading to a logical assumption that PH due to other causes is not such an important issue. So, is there a reason to discuss PH other than PAH? Chronic lung diseases, mainly chronic obstructive lung disease and DPLD, are associated with a high incidence of PH which is linked to exercise limitations and a worse prognosis. Although pathophysiological studies suggest that specific PAH therapy may benefit such patients, the results presented from small studies in regard to the safety and effectiveness of the specific PAH therapy are discouraging. PH is a common complication of left heart disease and is related to disease severity, especially in patients with reduced ejection fraction. There are two types of PH related to LHD based on diastolic pressure difference (DPD, defined as diastolic pulmonary artery pressure - mean PAWP): Isolated post-capillary PH, defined as PAWP > 15 mmHg and DPD < 7 mmHg, and combined post-capillary PH and pre-capillary PH, defined as PAWP > 15 mmHg and DPD ≥ 7 mmHg. The potential use of PAH therapies in patients with PH related to left heart disease is based on a logical pathobiological rationale. In patients with heart failure, endothelial dysfunction has been proposed as a cause of PH and hence as a target for treatment, supported by the presence of

  19. Short-Term Variations in the Equatorial Rotation Rate of Sunspot Groups

    NASA Astrophysics Data System (ADS)

    Javaraiah, J.; Bertello, L.

    2016-12-01

    We have detected several periodicities in the solar equatorial rotation rate of sunspot groups in the catalog Greenwich Photoheliographic Results (GPR) during the period 1931 - 1976, the Solar Optical Observing Network (SOON) during the period 1977 - 2014, and the Debrecen Photoheliographic Data (DPD) during the period 1974 - 2014. We have compared the results from the fast Fourier transform (FFT), the maximum entropy method (MEM), and the Morlet wavelet power-spectra of the equatorial rotation rates determined from SOON and DPD sunspot-group data during the period 1986 - 2007 with those of the Mount Wilson Doppler-velocity data during the same period determined by Javaraiah et al. ( Solar Phys. 257, 61, 2009). We have also compared the power-spectra computed from the DPD and the combined GPR and SOON sunspot-group data during the period 1974 - 2014 to those from the GPR sunspot-group data during the period 1931 - 1973. Our results suggest a ˜ 250-day period in the equatorial rotation rate determined from both the Mt. Wilson Doppler-velocity data and the sunspot-group data during 1986 - 2007. However, a wavelet analysis reveals that this periodicity appears mostly around 1991 in the velocity data, while it is present in most of the solar cycles covered by the sunspot-group data, mainly near the minimum epochs of the solar cycles. We also found the signature of a period of ˜ 1.4 years in the velocity data during 1990 - 1995, and in the equatorial rotation rate of sunspot groups mostly around the year 1956. The equatorial rotation rate of sunspot groups reveals a strong ˜ 1.6-year periodicity around 1933 and 1955, a weaker one around 1976, and a strong ˜ 1.8-year periodicity around 1943. Our analysis also suggests periodicities of ˜ 5 years, ˜ 7 years, and ˜ 17 years, as well as some other short-term periodicities. However, short-term periodicities are mostly present at the time of solar minima. Hence, short-term periodicities cannot be confirmed because of

  20. An optimized, universal hardware-based adaptive correlation receiver architecture

    NASA Astrophysics Data System (ADS)

    Zhu, Zaidi; Suarez, Hernan; Zhang, Yan; Wang, Shang

    2014-05-01

    The traditional radar RF transceivers, similar to communication transceivers, have the basic elements such as baseband waveform processing, IF/RF up-down conversion, transmitter power circuits, receiver front-ends, and antennas, which are shown in the upper half of Figure 1. For modern radars with diversified and sophisticated waveforms, we can frequently observe that the transceiver behaviors, especially nonlinear behaviors, are depending on the waveform amplitudes, frequency contents and instantaneous phases. Usually, it is a troublesome process to tune an RF transceiver to optimum when different waveforms are used. Another issue arises from the interference caused by the waveforms - for example, the range side-lobe (RSL) caused by the waveforms, once the signals pass through the entire transceiver chain, may be further increased due to distortions. This study is inspired by the two existing solutions from commercial communication industry, digital pre-distortion (DPD) and adaptive channel estimation and Interference Mitigation (AIM), while combining these technologies into a single chip or board that can be inserted into the existing transceiver system. This device is then named RF Transceiver Optimizer (RTO). The lower half of Figure 1 shows the basic element of RTO. With RTO, the digital baseband processing does not need to take into account the transceiver performance with diversified waveforms, such as the transmitter efficiency and chain distortion (and the intermodulation products caused by distortions). Neither does it need to concern the pulse compression (or correlation receiver) process and the related mitigation. The focus is simply the information about the ground truth carried by the main peak of correlation receiver outputs. RTO can be considered as an extension of the existing calibration process, while it has the benefits of automatic, adaptive and universal. Currently, the main techniques to implement the RTO are the digital pre- or -post

  1. Accelerating dissipative particle dynamics with multiple GPUs

    NASA Astrophysics Data System (ADS)

    Wang, Sibo; Xu, Junbo; Wen, Hao

    2013-11-01

    Dissipative particle dynamics (DPD) simulation is implemented on multiple GPUs by using NVIDIA's Compute Unified Device Architecture (CUDA) in this paper. Data communication between each GPU is executed based on the POSIX thread. Compared with the single-GPU implementation, this implementation can provide faster computation speed and more storage space to perform simulations on a significant larger system. In benchmark, the performance of GPUs is compared with that of Material Studio running on a single CPU core. We can achieve more than 90x speedup by using three C2050 GPUs to perform simulations on an 80∗80∗80 system. This implementation is applied to the study on the dispersancy of lubricant succinimide dispersants. A series of simulations are performed on lubricant-soot-dispersant systems to study the impact factors including concentration and interaction with lubricant on the dispersancy, and the simulation results are agreed with the study in our present work.

  2. VETA-I x ray test analysis

    NASA Technical Reports Server (NTRS)

    Brissenden, R. J. V.; Chartas, G.; Freeman, M. D.; Hughes, J. P.; Kellogg, E. M.; Podgorski, W. A.; Schwartz, D. A.; Zhao, P.

    1992-01-01

    This interim report presents some definitive results from our analysis of the VETA-I x-ray testing data. It also provides a description of the hardware and software used in the conduct of the VETA-I x-ray test program performed at the MSFC x-ray Calibration Facility (XRCF). These test results also serve to supply data and information to include in the TRW final report required by DPD 692, DR XC04. To provide an authoritative compendium of results, we have taken nine papers as published in the SPIE Symposium, 'Grazing Incidence X-ray/EUV Optics for Astronomy and Projection Lithography' and have reproduced them as the content of this report.

  3. Using dissipative particle dynamics to model micromechanics of responsive hydrogels

    NASA Astrophysics Data System (ADS)

    Alexeev, Alexander; Nikolov, Svetoslav; Fernandez de Las Nieves, Alberto

    2015-03-01

    The ability of responsive hydrogels to undergo complex and reversible shape transformations in response to external stimuli such as temperature, magnetic/electric fields, pH levels, and light intensity has made them the material of choice for tissue scaffolding, drug delivery, bio-adhesive, bio-sensing, and micro-sorting applications. The complex micromechanics and kinetics of these responsive networks however, currently hinders developments in the aforementioned areas. In order to better understand the mechanical properties of these systems and how they change during the volume transition we have developed a dissipative particle dynamics (DPD) model for responsive polymer networks. We use this model to examine the impact of the Flory-Huggins parameter on the bulk and shear moduli. In this fashion we evaluate how environmental factors can affect the micromechanical properties of these networks. Support from NSF CAREER Award (DMR-1255288) is gratefully acknowledged.

  4. Covalent Fusion of layered Incompatible Gels in Immiscible Solvents

    NASA Astrophysics Data System (ADS)

    Biswas, Santidan; Singh, Awaneesh; Matyjaszewski, Krzysztof; Balazs, Anna C.

    We carry out dissipative particle dynamics (DPD) simulations to model a two layered stackable gel where the gels are incompatible and are present in immiscible solvent. The bottom layer of the gel is created first and then a solution of new initiators, monomers and cross-linkers is introduced on top of it. These components then undergo polymerization and form the second gel layer. We study all possible combinations of free radical polymerization (FRP) and atom transfer radical polymerization (ATRP) mechanisms with the two layers of the gel. For example, the bottom layer gel is created via ATRP, whereas the top layer gel follows FRP. Our focus is to do a systematic study of all these combinations and find out the factors responsible for combining two incompatible gels in immiscible solvents.

  5. Modeling the rapid de-swelling of toroidal hydrogels

    NASA Astrophysics Data System (ADS)

    Nikolov, Svetoslav; Chang, Ya-Wen; Alexeev, Alexander; Fernandez de Las Nieves, Alberto

    2015-03-01

    The utilization of synthetic hydrogel networks as 3-D cell culture platforms has allowed researchers to more effectively study how epigenetic factors affect cell growth and physiology. As a whole, this has emphasized the biomechanical role of scaffold structures and led to a number of advances in tissue engineering. Our current research focuses on modeling temperature activated shape transformations of toroidal poly(N-isopropylacrylamide) pNIPAM gels. We use dissipative particle dynamics (DPD) to simulate the steady (slow heating rates) and unsteady (fast heating rates) de-swelling behavior of these thermo-sensitive gels. Our simulations show that for slow heating rates the aspect ratio of the tori remains constant during de-swelling. For rapid heating rates we observe buckling instabilities. Our simulations agree with the experimental observations. Financial support by NSF CAREER Award DMR-1255288 is gratefully acknowledged.

  6. Multiscale modeling of mechanosensing channels on vesicles and cell membranes in 3D constricted flows and shear flows

    NASA Astrophysics Data System (ADS)

    Peng, Zhangli; Pak, On Shun; Young, Yuan-Nan; Liu, Allen; Stone, Howard

    2015-11-01

    We investigate the gating of mechanosensing channels (Mscls) on vesicles and cell membranes under different flow conditions using a multiscale approach. At the cell level (microns), the membrane tension is calculated using a 3D two-component whole-cell membrane model based on dissipative particle dynamics (DPD), including the cortex cytoskeleton and its interactions with the lipid bilayer. At the Mscl level (nanometers), we predict the relation between channel gating and the membrane tension obtained from a cell-level model using a semi-analytical model based on the bilayer hydrophobic mismatch energy. We systematically study the gating of Mscls of vesicles and cell membranes in constricted channel flows and shear flows, and explore the dependence of the gating on flow rate, cell shape and size. The results provide guidance for future experiments in inducing Mscl opening for various purposes such as drug delivery.

  7. Polarizable protein model for Dissipative Particle Dynamics

    NASA Astrophysics Data System (ADS)

    Peter, Emanuel; Lykov, Kirill; Pivkin, Igor

    2015-11-01

    In this talk, we present a novel polarizable protein model for the Dissipative Particle Dynamics (DPD) simulation technique, a coarse-grained particle-based method widely used in modeling of fluid systems at the mesoscale. We employ long-range electrostatics and Drude oscillators in combination with a newly developed polarizable water model. The protein in our model is resembled by a polarizable backbone and a simplified representation of the sidechains. We define the model parameters using the experimental structures of 2 proteins: TrpZip2 and TrpCage. We validate the model on folding of five other proteins and demonstrate that it successfully predicts folding of these proteins into their native conformations. As a perspective of this model, we will give a short outlook on simulations of protein aggregation in the bulk and near a model membrane, a relevant process in several Amyloid diseases, e.g. Alzheimer's and Diabetes II.

  8. Photo-Regeneration of Severed Gel Using Photo-Controlled Radical Polymerization

    NASA Astrophysics Data System (ADS)

    Singh, Awaneesh; Kuksenok, Olga; Johnson, Jeremiah A.; Balazs, Anna C.

    Using the framework of dissipative particle dynamics (DPD) simulation, we developed a novel computational model that enables photo-regeneration of the gel matrix when a significant portion of the material is severed. We considered photo-controlled radical polymerization (photo-CRP) within polymer networks with embedded iniferters (initiators for the photo-CRP reaction). These iniferters turn on the polymerization process in the presence of light with monomers and cross-linkers in the solution. This ''photo-growth'' allow us to effectively regenerate severed gels under the application of light. The growth process can be turned off once the polymerization is near completion, which forms a new cross-linked gel that resembles the uncut material. The polymerization rate can be modulated by altering the light intensity.

  9. Multiscale analysis of the effect of micro-phase separation on the charge transfer at the PEDOT:PSS and P3HT:PCBM layer interface

    NASA Astrophysics Data System (ADS)

    Huang, Min

    2015-09-01

    The influence of micro phase behavior on the charge transfer at the interface between PEDOT:PSS and P3HT:PCBM layers was studied using multiscale analysis. Calculated Flory- Huggins parameters indicated that the PEDOT attracts P3HT and repulses PCBM that agrees well with the experimental observation of the development of P3HT rich interface during the BHJ layer formation. Based on the calculated Flory-Huggins parameters, mesoscale DPD simulations were conducted for PEDOT:PSS and P3HT:PCBM layers. Results were mapped to the CG (coarse grained) and then atomistic scales where atomistic details of the interface were studied. The density of nonbonding close contacts including that from reorientation between PEDOT and P3HT was quantified, vibronic coupling and carrier transfer efficiency were discussed.

  10. Ultrasound-responsive ultrathin multiblock copolyamide vesicles

    NASA Astrophysics Data System (ADS)

    Huang, Lei; Yu, Chunyang; Huang, Tong; Xu, Shuting; Bai, Yongping; Zhou, Yongfeng

    2016-02-01

    This study reports the self-assembly of novel polymer vesicles from an amphiphilic multiblock copolyamide, and the vesicles show a special structure with an ultrathin wall thickness of about 4.5 nm and a combined bilayer and monolayer packing model. Most interestingly, the vesicles are ultrasound-responsive and can release the encapsulated model drugs in response to ultrasonic irradiation.This study reports the self-assembly of novel polymer vesicles from an amphiphilic multiblock copolyamide, and the vesicles show a special structure with an ultrathin wall thickness of about 4.5 nm and a combined bilayer and monolayer packing model. Most interestingly, the vesicles are ultrasound-responsive and can release the encapsulated model drugs in response to ultrasonic irradiation. Electronic supplementary information (ESI) available: Details of experiments and characterization, and FT-IR, TEM, DPD, FL and micro-DSC results. See DOI: 10.1039/c5nr08596a

  11. The sunspot databases of the Debrecen Observatory

    NASA Astrophysics Data System (ADS)

    Baranyi, Tünde; Gyori, Lajos; Ludmány, András

    2015-08-01

    We present the sunspot data bases and online tools available in the Debrecen Heliophysical Observatory: the DPD (Debrecen Photoheliographic Data, 1974 -), the SDD (SOHO/MDI-Debrecen Data, 1996-2010), the HMIDD (SDO/HMI-Debrecen Data, HMIDD, 2010-), the revised version of Greenwich Photoheliographic Data (GPR, 1874-1976) presented together with the Hungarian Historical Solar Drawings (HHSD, 1872-1919). These are the most detailed and reliable documentations of the sunspot activity in the relevant time intervals. They are very useful for studying sunspot group evolution on various time scales from hours to weeks. Time-dependent differences between the available long-term sunspot databases are investigated and cross-calibration factors are determined between them. This work has received funding from the European Community's Seventh Framework Programme (FP7/2012-2015) under grant agreement No. 284461 (eHEROES).

  12. Modeling Stimuli-Responsive Nanoparticle Monolayer

    NASA Astrophysics Data System (ADS)

    Yong, Xin

    2015-03-01

    Using dissipative particle dynamics (DPD), we model a monolayer formed at the water-oil interface, which comprises stimuli-responsive nanoparticles. The solid core of the nanoparticle encompasses beads arranged in an fcc lattice structure and its surface is uniformly grafted with stimuli-responsive polymer chains. The surface-active nanoparticles adsorb to the interface from the suspension to minimize total energy of the system and create a monolayer covering the interface. We investigate the monolayer formation by characterizing the detailed adsorption kinetics. We explore the microstructure of the monolayer at different surface coverage, including the particle crowding and ordering, and elucidate the response of monolayer to external stimuli. The collective behavior of the particles within the monolayer is demonstrated quantitatively by vector-vector autocorrelation functions. This study provides a fundamental understanding of the interfacial behavior of stimuli-responsive nanoparticles.

  13. Tailoring the Structure of Polymer Networks with Photo-Controlled Radical Polymerization

    NASA Astrophysics Data System (ADS)

    Singh, Awaneesh; Kuksenok, Olga; Johnson, Jeremiah A.; Balazs, Anna C.

    Using dissipative particle dynamics (DPD) approach, we developed a novel computational model to study the photo-controlled radical polymerization (photo-CRP) within polymer networks with embedded iniferters. The polymerization process can be turned ``on'' or ``off'' in response to light and the polymerization rate can be modulated by altering the light intensity. This ``photo-growth'' approach allows us to impart changes in the gel network pore size and composition to form photo-tunable smart materials. For example, our approach allows us to design gel composites that are comprised of two distinct layers made of two compatible components at low photo-iniferter concentrations or gel composites that are comprised of two incompatible components that are relatively well intermixed at high photo-iniferter concentration.

  14. Dynamic capillary wetting studied with dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Cupelli, Claudio; Henrich, Björn; Glatzel, Thomas; Zengerle, Roland; Moseler, Michael; Santer, Mark

    2008-04-01

    We present a study on dynamic capillary wetting in the framework of dissipative particle dynamics (DPD) based on a novel wall model for wetting on solid boundaries. We consider capillary impregnation of a slit pore in two situations: (i) forced (piston-driven) steady state flow and (ii) capillarity driven imbibition out of a finite reservoir. The dynamic contact angle behavior under condition (i) is consistent with the hydrodynamic theories of Cox under partial wetting conditions and Eggers for complete wetting. The flow field near the contact line shows a region of apparent slip flow which provides a natural way of avoiding a stress singularity at the triple line. The dynamics of the capillary imbibition, i.e. condition (ii), is consistently described by the Lucas-Washburn equation augmented by expressions that account for inertia and the influence of the dynamic contact angle.

  15. Human spleen and red blood cells

    NASA Astrophysics Data System (ADS)

    Pivkin, Igor; Peng, Zhangli; Karniadakis, George; Buffet, Pierre; Dao, Ming

    2016-11-01

    Spleen plays multiple roles in the human body. Among them is removal of old and altered red blood cells (RBCs), which is done by filtering cells through the endothelial slits, small micron-sized openings. There is currently no experimental technique available that allows us to observe RBC passage through the slits. It was previously noticed that people without a spleen have less deformable red blood cells, indicating that the spleen may play a role in defining the size and shape of red blood cells. We used detailed RBC model implemented within the Dissipative Particle Dynamics (DPD) simulation framework to study the filter function of the spleen. Our results demonstrate that spleen indeed plays major role in defining the size and shape of the healthy human red blood cells.

  16. Photo-regeneration of severed gel with iniferter-mediated photo-growth.

    PubMed

    Singh, Awaneesh; Kuksenok, Olga; Johnson, Jeremiah A; Balazs, Anna C

    2017-03-08

    Using dissipative particle dynamics (DPD), we developed a computational approach to model the light-induced regeneration of a gel matrix when a significant portion of the material is severed. We considered photo-controlled radical polymerization (photo-CRP) within polymer networks with embedded iniferter groups: the "photo-growth" strategy. Absorption of light by the iniferter groups turns on the polymerization process, which inserts monomers and cross-linkers into the network strands. Photo-growth allows us to effectively regenerate a severed gel under the application of light even when the severed parts are not in direct contact. The growth process can be turned off once the polymerization is near completion to yield a new cross-linked gel that resembles the uncut material.

  17. Can Nanorods Emulsify Immiscible Polymer Blends?

    NASA Astrophysics Data System (ADS)

    Hore, Michael J. A.

    2005-03-01

    The addition of nanoscale rods to immiscible binary polymer blends has a pronounced effect on the dynamics of phase separation. The results of computer simulations of the Dissipative Particle Dynamics (DPD) model in three dimensions (3D) indicate that when nanorods prefer one of two components in an immiscible binary polymer blend, the rate of phase separation decreases when the volume fraction of nanorods is increased, or as the aspect ratio (L/D) of the rods is increased. Interestingly, anisotropic nanoparticles have a much more pronounced effect on phase separation dynamics in the system when compared to the effects of spherical nanoparticles, which, generically, do not alter the characteristics of the kinetics in the system. In particular, it may be the case that at high volume fractions -- or alternatively, low volume fractions and large aspect ratio of nanorods -- the system may undergo micro-phase separation only, indicating that the nanorods may be excellent emulsifying agents.

  18. Disinfection efficacy of organic chloramines.

    PubMed

    Donnermair, Martina M; Blatchley, Ernest R

    2003-04-01

    The disinfection efficacies of model organic chloramines were investigated. Twenty amino acids and two nucleic acid bases were chlorinated separately with sodium hypochlorite at a Cl:N molar ratio of 0.4:1, and were then used to treat an E. coli suspension for 60 min. DPD/FAS titration was carried out to obtain the concentration of the chlorinated nitrogenous organic compounds as a function of time. In addition, membrane introduction mass spectrometry (MIMS) was used to quantify inorganic chloramines (mono-, di-, and trichloramine). The results of these experiments showed that the organic chloramines examined in this research had little or no effect on the viability of E. coli. MIMS analyses demonstrated that there was no quantifiable formation of inorganic chloramines when the organic nitrogen compounds were chlorinated.

  19. Molecular-based choice of cancer therapy: realities and expectations.

    PubMed

    Imyanitov, Evgeny N; Moiseyenko, Vladimir M

    2007-04-01

    Current choice of cancer therapy is usually empirical and relies mainly on the statistical prediction of the treatment success. Molecular research provides some opportunities to personalize antitumor treatment. For example, life-threatening toxic reactions can be avoided by the identification of subjects, who carry susceptible genotypes of drug-metabolizing genes (e.g. TPMT, UGT1A1, MTHFR, DPYD). Tumor sensitivity can be predicted by molecular portraying of targets and other molecules associated with drug response. Tailoring of antiestrogen and trastuzumab therapy based on hormone and HER2 receptor status has already become a classical example of customized medicine. Other predictive markers have been identified both for cytotoxic and for targeted therapies, and include, for example, expression of TS, TP, DPD, OPRT, ERCC1, MGMT, TOP2A, class III beta-tubulin molecules as well as genomic alterations of EGFR, KIT, ABL oncogenes.

  20. Modeling Interfacial Adsorption of Polymer-Grafted Nanoparticles

    NASA Astrophysics Data System (ADS)

    Yong, Xin

    2014-11-01

    Numerous natural and industrial processes demand advances in our fundamental understanding of colloidal adsorption at liquid interfaces. Using dissipative particle dynamics (DPD), we model the interfacial adsorption of core-shell nanoparticles at the water-oil interface. The solid core of the nanoparticle encompasses beads arranged in an fcc lattice structure and its surface is uniformly grafted with polymer chains. The nanoparticles bind to the interface from either phase to minimize total surface energy. With a single nanoparticle, we demonstrate detailed kinetics of different stages in the adsorption process. Prominent effect of grafted polymer chains is characterized by varying molecular weight and polydispersity of the chains. We also preload nanoparticles straddling the interface to reveal the influence of nanoparticle surface density on further adsorption. Importantly, these studies show how surface-grafted polymer chains can alter the interfacial behavior of colloidal particles and provide guidelines for designing on-demand Pickering emulsion.

  1. Shielding effects in polymer–polymer reactions. V. Concentration dependence of contact formation between star-branched and linear chains☆

    PubMed Central

    Nardai, Michael M.; Zifferer, Gerhard

    2013-01-01

    By use of the Dissipative Particle Dynamics (DPD) simulation technique mixtures of star-branched (arm number F = 4) and linear chains in athermal (good) solvent are analyzed regarding probabilities for intermolecular contacts of various reactive sites within different polymer coils. The accompanying sterical hindrances are described in the framework of shielding factors in order to investigate reactions and side reactions in radical polymerization and other techniques that involve polymer–polymer coupling. The shielding factors are studied as a function of total concentration from high dilution up to the bulk for different chain lengths of star-shaped and linear chains. Results indicate that their concentration dependence can be described by a power law for systems above the overlap concentration, whereas the chain length dependence vanishes when extrapolating to infinite chain lengths in that concentration range. Also the influence of the ratio of star chains and linear chains is studied for various concentrations. PMID:23874002

  2. Cathepsin K Contributes to Cavitation and Collagen Turnover in Pulmonary Tuberculosis.

    PubMed

    Kubler, Andre; Larsson, Christer; Luna, Brian; Andrade, Bruno B; Amaral, Eduardo P; Urbanowski, Michael; Orandle, Marlene; Bock, Kevin; Ammerman, Nicole C; Cheung, Laurene S; Winglee, Kathryn; Halushka, Marc; Park, Jin Kyun; Sher, Alan; Friedland, Jon S; Elkington, Paul T; Bishai, William R

    2016-02-15

    Cavitation in tuberculosis enables highly efficient person-to-person aerosol transmission. We performed transcriptomics in the rabbit cavitary tuberculosis model. Among 17 318 transcripts, we identified 22 upregulated proteases. Five type I collagenases were overrepresented: cathepsin K (CTSK), mast cell chymase-1 (CMA1), matrix metalloproteinase 1 (MMP-1), MMP-13, and MMP-14. Studies of collagen turnover markers, specifically, collagen type I C-terminal propeptide (CICP), urinary deoxypyridinoline (DPD), and urinary helical peptide, revealed that cavitation in tuberculosis leads to both type I collagen destruction and synthesis and that proteases other than MMP-1, MMP-13, and MMP-14 are involved, suggesting a key role for CTSK. We confirmed the importance of CTSK upregulation in human lung specimens, using immunohistochemical analysis, which revealed perigranulomatous staining for CTSK, and we showed that CTSK levels were increased in the serum of patients with tuberculosis, compared with those in controls (3.3 vs 0.3 ng/mL; P = .005).

  3. HLLV avionics requirements study and electronic filing system database development

    NASA Technical Reports Server (NTRS)

    1994-01-01

    This final report provides a summary of achievements and activities performed under Contract NAS8-39215. The contract's objective was to explore a new way of delivering, storing, accessing, and archiving study products and information and to define top level system requirements for Heavy Lift Launch Vehicle (HLLV) avionics that incorporate Vehicle Health Management (VHM). This report includes technical objectives, methods, assumptions, recommendations, sample data, and issues as specified by DPD No. 772, DR-3. The report is organized into two major subsections, one specific to each of the two tasks defined in the Statement of Work: the Index Database Task and the HLLV Avionics Requirements Task. The Index Database Task resulted in the selection and modification of a commercial database software tool to contain the data developed during the HLLV Avionics Requirements Task. All summary information is addressed within each task's section.

  4. Prognostic significance of thymidylate synthase, thymidine phosphorylase and dihydropyrimidine dehydrogenase expression in biliary tract cancer patients receiving adjuvant 5-fluorouracil-based chemotherapy

    PubMed Central

    KIM, KWAN WOO; KWON, HYUK-CHAN; KIM, SUNG-HYUN; OH, SUNG YONG; LEE, SUEE; LEE, JI HYUN; ROH, MYUNG HWAN; KIM, MIN CHAN; KIM, KI HAN; KIM, YOUNG HOON; ROH, YOUNG HOON; JEONG, JIN SOOK; KIM, HYO-JIN

    2013-01-01

    Biliary tract cancer (BTC) is a relatively uncommon type of cancer, accounting for ∼4% of the malignant neoplasms of the gastrointestinal tract. The aim of this study was to determine whether the expression of thymidylate synthase (TS), thymidine phosphorylase (TP) and dihydropyrimidine dehydrogenase (DPD) predict clinical outcome in BTC patients treated with adjuvant 5-fluorouracil (5-FU)-based chemotherapy. TS and TP expression were found to be significantly correlated with cancer location (P=0.044 and 0.031, respectively). The multivariate analysis revealed that age [hazard ratio (HR)=2.157, P=0.008], stage (HR=2.234, P<0.001), resection margin status (HR=2.748, P=0.004) and TP expression (HR=2.014, P=0.039) were independently associated with overall survival (OS). PMID:24649282

  5. Microfluidic synthesis of rigid nanovesicles for hydrophilic reagents delivery.

    PubMed

    Zhang, Lu; Feng, Qiang; Wang, Jiuling; Sun, Jiashu; Shi, Xinghua; Jiang, Xingyu

    2015-03-23

    We present a hollow-structured rigid nanovesicle (RNV) fabricated by a multi-stage microfluidic chip in one step, to effectively entrap various hydrophilic reagents inside, without complicated synthesis, extensive use of emulsifiers and stabilizers, and laborious purification procedures. The RNV contains a hollow water core, a rigid poly (lactic-co-glycolic acid) (PLGA) shell, and an outermost lipid layer. The formation mechanism of the RNV is investigated by dissipative particle dynamics (DPD) simulations. The entrapment efficiency of hydrophilic reagents such as calcein, rhodamine B and siRNA inside the hollow water core of RNV is ≈90 %. In comparison with the combination of free Dox and siRNA, RNV that co-encapsulate siRNA and doxorubicin (Dox) reveals a significantly enhanced anti-tumor effect for a multi-drug resistant tumor model.

  6. Adsorption and disjoining pressure isotherms of confined polymers using dissipative particle dynamics.

    PubMed

    Goicochea, A Gama

    2007-11-06

    The adsorption and disjoining pressure isotherms of polymers confined by planar walls are obtained using Monte Carlo (MC) simulations in the Grand Canonical (GC) ensemble in combination with the mesoscopic technique known as dissipative particle dynamics (DPD). Two models of effective potentials for the confining surfaces are used: one with both an attractive and a repulsive term and one with a purely repulsive term. As for the polymer, seven-bead linear model of polyethylene glycol (PEG) dissolved in water is used. The results indicate remarkably good agreement between the trends shown by our adsorption isotherms and those obtained from experiments of PEG on oxide surfaces. Additionally, the disjoining pressure isotherm of water shows oscillations, while those of PEG display the same trend for both wall models. Moreover, it is found that the disjoining pressure isotherms are in qualitative agreement with those from experiments on confined linear polymers.

  7. Remote sensing at the University of Kansas in radar systems

    NASA Technical Reports Server (NTRS)

    Moore, R. K.

    1970-01-01

    Demonstration that a spectral response across an octave bandwidth in the microwave region is as variable as the comparable response in the visible and infrared region is a major mile-stone and indicates the potential of polypanchromatic radar systems is analogous with that of color photography. Averaging of the returns from a target element appears necessary to obtain a grey scale adequate for many earth-science applications of radar systems. This result can be obtained either by azimuth averaging or by the use of panchromatic techniques (range averaging). Improvement with panchromatic techniques has been demonstrated both with a landbased electromagnetic system and with an ultrasonic simulator. The advantage of the averaging achieved in azimuth with the real-aperture version of the DPD-2 when compared with the synthetic aperture version confirms the concept.

  8. Dissipative particle dynamics model for colloid transport in porous media

    SciTech Connect

    Pan, W.; Tartakovsky, A. M.

    2013-08-01

    We present that the transport of colloidal particles in porous media can be effectively modeled with a new formulation of dissipative particle dynamics, which augments standard DPD with non-central dissipative shear forces between particles while preserving angular momentum. Our previous studies have demonstrated that the new formulation is able to capture accurately the drag forces as well as the drag torques on colloidal particles that result from the hydrodynamic retardation effect. In the present work, we use the new formulation to study the contact efficiency in colloid filtration in saturated porous media. Note that the present model include all transport mechanisms simultaneously, including gravitational sedimentation, interception and Brownian diffusion. Our results of contact efficiency show a good agreement with the predictions of the correlation equation proposed by Tufenkji and EliMelech, which also incorporate all transport mechanisms simultaneously without the additivity assumption.

  9. Multiscale modeling of sickle anemia blood blow by Dissipative Partice Dynamics

    NASA Astrophysics Data System (ADS)

    Lei, Huan; Caswell, Bruce; Karniadakis, George

    2011-11-01

    A multi-scale model for sickle red blood cell is developed based on Dissipative Particle Dynamics (DPD). Different cell morphologies (sickle, granular, elongated shapes) typically observed in in vitro and in vivo are constructed and the deviations from the biconcave shape is quantified by the Asphericity and Elliptical shape factors. The rheology of sickle blood is studied in both shear and pipe flow systems. The flow resistance obtained from both systems exhibits a larger value than the healthy blood flow due to the abnormal cell properties. However, the vaso-occulusion phenomenon, reported in a recent microfluid experiment, is not observed in the pipe flow system unless the adhesive interactions between sickle blood cells and endothelium properly introduced into the model.

  10. Shielding effects in polymer-polymer reactions. V. Concentration dependence of contact formation between star-branched and linear chains.

    PubMed

    Nardai, Michael M; Zifferer, Gerhard

    2013-07-19

    By use of the Dissipative Particle Dynamics (DPD) simulation technique mixtures of star-branched (arm number F = 4) and linear chains in athermal (good) solvent are analyzed regarding probabilities for intermolecular contacts of various reactive sites within different polymer coils. The accompanying sterical hindrances are described in the framework of shielding factors in order to investigate reactions and side reactions in radical polymerization and other techniques that involve polymer-polymer coupling. The shielding factors are studied as a function of total concentration from high dilution up to the bulk for different chain lengths of star-shaped and linear chains. Results indicate that their concentration dependence can be described by a power law for systems above the overlap concentration, whereas the chain length dependence vanishes when extrapolating to infinite chain lengths in that concentration range. Also the influence of the ratio of star chains and linear chains is studied for various concentrations.

  11. Drinking Water Disinfection by In-line Electrolysis: Product and Inorganic By-Product Formation

    NASA Astrophysics Data System (ADS)

    Bergmann, M. E. Henry

    This section covers peculiarities of so-called in-line electrolysis when drinking water is electrolysed to produce disinfection species killing microorganisms. Mainly mixed oxide electrodes (MIO) based on IrO2 and/or RuO2 coatings and boron-doped diamond electrodes were used in the studies. Artificial and real drinking water systems were electrolysed in continuous and discontinuous operating mode, varying water composition, current density and electrode materials. Results show, besides the ability of producing active chlorine, risks of inorganic disinfection by-products (DBPs) such as chlorate, perchlorate, nitrite, ammonium, chloramines, hydrogen peroxide and others. DBPs are responsible for analysis errors using DPD method for active chlorine measurements. Geometry may influence by-product yield. As a conclusion, the necessity of developing test routines for practical cell applications must be underlined.

  12. Occlusion of Small Vessels by Malaria-Infected Red Blood Cells

    NASA Astrophysics Data System (ADS)

    Lei, Huan; Fedosov, Dmitry; Caswell, Bruce; Karniadakis, George

    2010-11-01

    We use dissipative particle dynamics (DPD) method to study malaria-infected red blood cells (i-RBC). We have developed a multi-scale model to describe both static and dynamic properties of RBCs. With this model, we study the adhesive interaction between RBCs as well as the interaction between the Plasmodium falciparum (Pf)-parasitized cells and a vessel wall coated with purified ICAM-1. In this talk, we will discuss the effect of the Pf-parasitized malaria cell on the flow resistance of the blood flow at different parasetimia levels. The blood flow in malaria disease shows high flow resistance as compared with the healthy case due to both the stiffening of the i-RBCs (up to ten times) as well as the adhesion dynamics. For certain sizes of of small vessels, the malaria-infected cells can even lead to occlusion of the blood flow, in agreement with recent experiments.

  13. Strong scaling of general-purpose molecular dynamics simulations on GPUs

    NASA Astrophysics Data System (ADS)

    Glaser, Jens; Nguyen, Trung Dac; Anderson, Joshua A.; Lui, Pak; Spiga, Filippo; Millan, Jaime A.; Morse, David C.; Glotzer, Sharon C.

    2015-07-01

    We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, 2013). Our approach is inspired by a traditional CPU-based code, LAMMPS (Plimpton, 1995), but is implemented within a code that was designed for execution on GPUs from the start (Anderson et al., 2008). The software supports short-ranged pair force and bond force fields and achieves optimal GPU performance using an autotuning algorithm. We are able to demonstrate equivalent or superior scaling on up to 3375 GPUs in Lennard-Jones and dissipative particle dynamics (DPD) simulations of up to 108 million particles. GPUDirect RDMA capabilities in recent GPU generations provide better performance in full double precision calculations. For a representative polymer physics application, HOOMD-blue 1.0 provides an effective GPU vs. CPU node speed-up of 12.5 ×.

  14. Self-Assembled Asymmetric Block Copolymer Membranes: Bridging the Gap from Ultra- to Nanofiltration.

    PubMed

    Yu, Haizhou; Qiu, Xiaoyan; Moreno, Nicolas; Ma, Zengwei; Calo, Victor Manuel; Nunes, Suzana P; Peinemann, Klaus-Viktor

    2015-11-16

    The self-assembly of block copolymers is an emerging strategy to produce isoporous ultrafiltration membranes. However, thus far, it has not been possible to bridge the gap from ultra- to nanofiltration and decrease the pore size of self-assembled block copolymer membranes to below 5 nm without post-treatment. It is now reported that the self-assembly of blends of two chemically interacting copolymers can lead to highly porous membranes with pore diameters as small as 1.5 nm. The membrane containing an ultraporous, 60 nm thin separation layer can fully reject solutes with molecular weights of 600 g mol(-1) in aqueous solutions with a water flux that is more than one order of magnitude higher than the permeance of commercial nanofiltration membranes. Simulations of the membrane formation process by dissipative particle dynamics (DPD) were used to explain the dramatic observed pore size reduction combined with an increase in water flux.

  15. Combination therapy with ONO-KK1-300-01, a cathepsin K inhibitor, and parathyroid hormone results in additive beneficial effect on bone mineral density in ovariectomized rats.

    PubMed

    Ochi, Yasuo; Yamada, Hiroyuki; Mori, Hiroshi; Kawada, Naoki; Tanaka, Makoto; Imagawa, Akira; Ohmoto, Kazuyuki; Kawabata, Kazuhito

    2016-01-01

    This study examined the effects of a novel cathepsin K inhibitor, ONO-KK1-300-01 (KK1-300), used concurrently with parathyroid hormone (PTH) in ovariectomized (OVX) rats. KK1-300 (3 mg/kg, twice daily), alendronate (1 mg/kg, once daily) or vehicle were orally administered to OVX rats for 56 days, starting the day after ovariectomy, followed by combination treatment with or without PTH (3 μg/kg, subcutaneously three times a week) for another 28 days. OVX control animals exhibited a significant increase in both bone resorption (urinary deoxypyridinoline; DPD) and formation markers (serum osteocalcin) as well as microstructural changes associated with decreased bone mineral density (BMD). Combination treatment with KK1-300 and PTH significantly decreased urinary DPD and increased serum osteocalcin, indicating a sustained beneficial effect compared to the effect of each mono-therapy. On the other hand, combination therapy with alendronate and PTH weakened the PTH-induced increase in osteocalcin. In proximal tibia, combination treatment with KK1-300 and PTH increased BMD to a level significantly higher than that achieved following single treatment with KK1-300 or PTH alone. On the other hand, combination treatment with alendronate and PTH failed to produce any significant additive effect on BMD following single treatment with alendronate or PTH alone. Microstructural analysis revealed that the PTH-induced increase in bone formation (MS/BS and BFR/BS) was fully maintained following combination treatment with KK1-300 and PTH, but not following combination treatment with alendronate and PTH. These findings indicate that KK1-300, unlike alendronate, has an additive effect on the preventive action of PTH on bone loss in OVX rats.

  16. Bathochromic and stabilising effects of sugar beet pectin and an isolated pectic fraction on anthocyanins exhibiting pyrogallol and catechol moieties.

    PubMed

    Buchweitz, M; Carle, R; Kammerer, D R

    2012-12-15

    The formation of anthocyanin-metal chelates, exhibiting intense blue colours was monitored over a period up to 10 weeks. Evaluating normalised absorption spectra in the range of 580-700 nm and their proportion of the total area under the curve (AUC), provided information about the blue colour hue, intensity and stability. Colour stability in model solutions containing commercial sugar beet pectin or an isolated pectic polysaccharide fraction (PPF) therefrom, both being naturally enriched in aluminium and ferric ions, was assessed in a pH range of 3.6-7.0. The pectic structures stabilised anthocyanin-metal chelates, and thus blue colours by efficiently preventing complex precipitation. Highest bathochromic shifts and most intense blue colours were observed in PPF model solutions containing delphinidin-3-glucoside (Dpd-3-glc), exhibiting a pyrogallol moiety in the flavylium B-ring, compared to cyanidin- (Cyd-3-glc) and petunidin-3-glucoside (Pet-3-glc), both carrying a catechol substituted B-ring. Hue and intensity of the blue colour at pH 5.0 were only insignificantly influenced by the buffer system except for citrate and phosphate buffers, which both annihilated anthocyanin-metal chelate formation. The blue colours faded following first order kinetics. Best stabilities as deduced from storage experiments performed at 20 ± 2°C in the dark were observed for Dpd-3-glc. In contrast, Cyd-3-glc displayed shortened half-life values, whereas blue Pet-3-glc chelates decomposed rapidly. These results demonstrate that the solubilisation of anthocyanin-metal chelates by pectic structures is a promising option for developing water soluble natural blue food colourants.

  17. Numerical modelling of a healthy/malaria-infected erythrocyte in shear flow using dissipative particle dynamics method

    NASA Astrophysics Data System (ADS)

    Ye, Ting; Phan-Thien, Nhan; Cheong Khoo, Boo; Teck Lim, Chwee

    2014-06-01

    In the present paper, the dynamics of healthy and malaria-infected erythrocytes in the shear flow are investigated using dissipative particle dynamics (DPD), a particle-based method. A discrete model is developed, where the computational domain is discretized into a set of particles to represent the suspending liquid, as well as erythrocytes as suspended deformable particles. The particles on an erythrocyte surface are connected into a triangular network to represent the membrane. The interaction between any two particles is modelled by the DPD method, which conserves both mass and momentum. In order to validate this model, the deformation of a spherical capsule in the shear flow is firstly simulated, and a good agreement is found with previously published works. Then, the dynamics of a healthy biconcave erythrocyte in a shear flow is investigated. The results demonstrate that a healthy erythrocyte undergoes a tank-treading motion at a high capillary number, and a tumbling motion at a low capillary number or at a high viscosity ratio, internal (erythrocyte) to external fluids. Two other types of trembling motions, breathing with tumbling and swinging with tank-treading, are also found at an intermediate capillary number or viscosity ratio. Finally, the dynamics of malaria-infected erythrocyte in a shear flow is studied. At the same shear rate, if the healthy erythrocyte undergoes a tumbling motion, the malaria-infected one will exhibit a tumbling motion only. If the healthy erythrocyte undergoes a trembling motion, the malaria-infected one cannot exhibit tank-treading motion. If the healthy erythrocyte undergoes a tank-treading motion, the malaria-infected one will exhibit one of three dynamic motions: tumbling, trembling or tank-treading motion.

  18. A comparison of implicit- and explicit-solvent simulations of self-assembly in block copolymer and solute systems

    NASA Astrophysics Data System (ADS)

    Spaeth, Justin R.; Kevrekidis, Ioannis G.; Panagiotopoulos, Athanassios Z.

    2011-04-01

    We have developed explicit- and implicit-solvent models for the flash nanoprecipitation process, which involves rapid coprecipitation of block copolymers and solutes by changing solvent quality. The explicit-solvent model uses the dissipative particle dynamics (DPD) method and the implicit-solvent model uses the Brownian dynamics (BD) method. Each of the two models was parameterized to match key properties of the diblock copolymer (specifically, critical micelle concentration, diffusion coefficient, polystyrene melt density, and polyethylene glycol radius of gyration) and the hydrophobic solute (aqueous solubility, diffusion coefficient, and solid density). The models were simulated in the limit of instantaneous mixing of solvent with antisolvent. Despite the significant differences in the potentials employed in the implicit- and explicit-solvent models, the polymer-stabilized nanoparticles formed in both sets of simulations are similar in size and structure; however, the dynamic evolution of the two simulations is quite different. Nanoparticles in the BD simulations have diffusion coefficients that follow Rouse behavior (D ∝ M-1), whereas those in the DPD simulations have diffusion coefficients that are close to the values predicted by the Stokes-Einstein relation (D ∝ R-1). As the nanoparticles become larger, the discrepancy between diffusion coefficients grows. As a consequence, BD simulations produce increasingly slower aggregation dynamics with respect to real time and result in an unphysical evolution of the nanoparticle size distribution. Surface area per polymer of the stable explicit-solvent nanoparticles agrees well with experimental values, whereas the implicit-solvent nanoparticles are stable when the surface area per particle is roughly two to four times larger. We conclude that implicit-solvent models may produce questionable results when simulating nonequilibrium processes in which hydrodynamics play a critical role.

  19. A comparison of implicit- and explicit-solvent simulations of self-assembly in block copolymer and solute systems.

    PubMed

    Spaeth, Justin R; Kevrekidis, Ioannis G; Panagiotopoulos, Athanassios Z

    2011-04-28

    We have developed explicit- and implicit-solvent models for the flash nanoprecipitation process, which involves rapid coprecipitation of block copolymers and solutes by changing solvent quality. The explicit-solvent model uses the dissipative particle dynamics (DPD) method and the implicit-solvent model uses the Brownian dynamics (BD) method. Each of the two models was parameterized to match key properties of the diblock copolymer (specifically, critical micelle concentration, diffusion coefficient, polystyrene melt density, and polyethylene glycol radius of gyration) and the hydrophobic solute (aqueous solubility, diffusion coefficient, and solid density). The models were simulated in the limit of instantaneous mixing of solvent with antisolvent. Despite the significant differences in the potentials employed in the implicit- and explicit-solvent models, the polymer-stabilized nanoparticles formed in both sets of simulations are similar in size and structure; however, the dynamic evolution of the two simulations is quite different. Nanoparticles in the BD simulations have diffusion coefficients that follow Rouse behavior (D ∝ M(-1)), whereas those in the DPD simulations have diffusion coefficients that are close to the values predicted by the Stokes-Einstein relation (D ∝ R(-1)). As the nanoparticles become larger, the discrepancy between diffusion coefficients grows. As a consequence, BD simulations produce increasingly slower aggregation dynamics with respect to real time and result in an unphysical evolution of the nanoparticle size distribution. Surface area per polymer of the stable explicit-solvent nanoparticles agrees well with experimental values, whereas the implicit-solvent nanoparticles are stable when the surface area per particle is roughly two to four times larger. We conclude that implicit-solvent models may produce questionable results when simulating nonequilibrium processes in which hydrodynamics play a critical role.

  20. Mori-Zwanzig theory for dissipative forces in coarse-grained dynamics in the Markov limit

    NASA Astrophysics Data System (ADS)

    Izvekov, Sergei

    2017-01-01

    We derive alternative Markov approximations for the projected (stochastic) force and memory function in the coarse-grained (CG) generalized Langevin equation, which describes the time evolution of the center-of-mass coordinates of clusters of particles in the microscopic ensemble. This is done with the aid of the Mori-Zwanzig projection operator method based on the recently introduced projection operator [S. Izvekov, J. Chem. Phys. 138, 134106 (2013), 10.1063/1.4795091]. The derivation exploits the "generalized additive fluctuating force" representation to which the projected force reduces in the adopted projection operator formalism. For the projected force, we present a first-order time expansion which correctly extends the static fluctuating force ansatz with the terms necessary to maintain the required orthogonality of the projected dynamics in the Markov limit to the space of CG phase variables. The approximant of the memory function correctly accounts for the momentum dependence in the lowest (second) order and indicates that such a dependence may be important in the CG dynamics approaching the Markov limit. In the case of CG dynamics with a weak dependence of the memory effects on the particle momenta, the expression for the memory function presented in this work is applicable to non-Markov systems. The approximations are formulated in a propagator-free form allowing their efficient evaluation from the microscopic data sampled by standard molecular dynamics simulations. A numerical application is presented for a molecular liquid (nitromethane). With our formalism we do not observe the "plateau-value problem" if the friction tensors for dissipative particle dynamics (DPD) are computed using the Green-Kubo relation. Our formalism provides a consistent bottom-up route for hierarchical parametrization of DPD models from atomistic simulations.

  1. Pancytopenia and Severe Gastrointestinal Toxicities Associated with 5-Fluorouracil in a Patient with Thymidylate Synthase (TYMS) Polymorphism

    PubMed Central

    Wang, Bo; Walsh, Shannon J

    2016-01-01

    5-Fluorouracil (5-FU) is one of the most commonly used chemotherapeutic agents in solid tumors, including colon, gastric and breast cancers. The pharmacogenetic syndrome of dihydropyrimidine dehydrogenase (DPD) deficiency leading to severe toxicity after administration of 5-flourouracil (5-FU) and capecitabine has been well-recognized. However, the data about the association of the target enzyme, thymidylate synthase (TYMS) with the toxicity of these agents is limited. A 50-year-old Caucasian woman with T2N2M0 Stage IIIB squamous cell rectal cancer after local surgical excision initiated 5-FU therapy with mitomycin-C and radiation therapy in the adjuvant setting. Following the first treatment with 5-FU, she developed grade III mucositis and grade IV neutropenia which delayed her second dose of therapy. Following her second dose of 5-FU, she again developed grade III mucositis, grade II diarrhea, pancytopenia, fever, and rectal bleeding requiring hospitalization. She was treated with blood and platelet transfusion, pegfilgrastim, IV antibiotics, and supportive therapy. Due to her severe clinical toxicity following chemotherapy involving 5-FU, we tested her for both DPD deficiency andTYMS polymorphisms. The patient was found to be homozygous for the TYMS polymorphism 5’TSER genotype 2R/2R*f, which has been associated with increased 5-FU drug sensitivity and susceptibility to 5-FU toxicity. Our case report further underlines the fact that TYMS polymorphism not only predicts response to 5-FU by relating to intratumoral-TYMS mRNA expression but also the toxicity in these patients receiving fluoropyrimidines. In brief, TYMS genotype variations present a dilemma in 5-FU-driven cancer therapy- overexpression leads to decreased drug sensitivity and poor prognosis, while underexpression leads to the manifestation of toxic drug effects that may halt therapy altogether. Future prospective translational studies in a larger population are warranted to validate its role as a

  2. Morphological Evolution of Block Copolymer Particles: Effect of Solvent Evaporation Rate on Particle Shape and Morphology.

    PubMed

    Shin, Jae Man; Kim, YongJoo; Yun, Hongseok; Yi, Gi-Ra; Kim, Bumjoon J

    2017-02-28

    Shape and morphology of polymeric particles are of great importance in controlling their optical properties or self-assembly into unusual superstructures. Confinement of block copolymers (BCPs) in evaporative emulsions affords particles with diverse structures, including prolate ellipsoids, onion-like spheres, oblate ellipsoids, and others. Herein, we report that the evaporation rate of solvent from emulsions encapsulating symmetric polystyrene-b-polybutadiene (PS-b-PB) determines the shape and internal nanostructure of micron-sized BCP particles. A distinct morphological transition from the ellipsoids with striped lamellae to the onion-like spheres was observed with decreasing evaporation rate. Experiments and dissipative particle dynamics (DPD) simulations showed that the evaporation rate affected the organization of BCPs at the particle surface, which determined the final shape and internal nanostructure of the particles. Differences in the solvent diffusion rates in PS and PB at rapid evaporation rates induced alignment of both domains perpendicular to the particle surface, resulting in ellipsoids with axial lamellar stripes. Slower evaporation rates provided sufficient time for BCP organization into onion-like structures with PB as the outermost layer, owing to the preferential interaction of PB with the surroundings. BCP molecular weight was found to influence the critical evaporation rate corresponding to the morphological transition from ellipsoid to onion-like particles, as well as the ellipsoid aspect ratio. DPD simulations produced morphologies similar to those obtained from experiments and thus elucidated the mechanism and driving forces responsible for the evaporation-induced assembly of BCPs into particles with well-defined shapes and morphologies.

  3. North-south asymmetry in small and large sunspot group activity and violation of even-odd solar cycle rule

    NASA Astrophysics Data System (ADS)

    Javaraiah, J.

    2016-07-01

    According to Gnevyshev-Ohl (G-O) rule an odd-numbered cycle is stronger than its preceding even-numbered cycle. In the modern time the cycle pair (22, 23) violated this rule. By using the combined Greenwich Photoheliographic Results (GPR) and Solar Optical Observing Network (SOON) sunspot group data during the period 1874-2015, and Debrecen Photoheliographic Data (DPD) of sunspot groups during the period 1974-2015, here we have found that the solar cycle pair (22, 23) violated the G-O rule because, besides during cycle 23 a large deficiency of small sunspot groups in both the northern and the southern hemispheres, during cycle 22 a large abundance of small sunspot groups in the southern hemisphere. In the case of large and small sunspot groups the cycle pair (22, 23) violated the G-O rule in the northern and southern hemispheres, respectively, suggesting the north-south asymmetry in solar activity has a significant contribution in the violation of G-O rule. The amplitude of solar cycle 24 is smaller than that of solar cycle 23. However, Coronal Mass Ejections (CMEs) rate in the rising phases of the cycles 23 and 24 are almost same (even slightly large in cycle 24). From both the SOON and the DPD sunspot group data here we have also found that on the average the ratio of the number (counts) of large sunspot groups to the number of small sunspot groups is larger in the rising phase of cycle 24 than that in the corresponding phase of cycle 23. We suggest this could be a potential reason for the aforesaid discrepancy in the CME rates during the rising phases of cycles 23 and 24. These results have significant implication on solar cycle mechanism.

  4. Partitioning of palladium, iridium, and platinum between sulfide liquid and basalt melt: Effects of melt composition, concentration, and oxygen fugacity

    NASA Astrophysics Data System (ADS)

    Fleet, M. E.; Stone, W. E.; Crocket, J. H.

    1991-09-01

    The partitioning of Pd, Ir, and Pt between immiscible (Fe, Ni)-monosulfide liquid and basalt melt has been investigated at 1300°C and at low pressure over the concentration range 40 to 20,000 ppm platinum-group element(s) (PGE) in the sulfide liquid and at oxygen fugacities from the C-CO-CO2 to the wüstite-magnetite buffers. The experiments used sealed silica-glass tubes with internal oxygen buffers: PGE in glass were determined by radiochemical neutron activation analysis (RNAA). Partition coefficients (D) vary markedly with compositions of the sulfide liquid and silicate melt, increasing with decrease in oxygen fugacity, S, Fe, and possibly Ni, and with increase in total concentration of PGE. For 5 ppb PGE in the silicate melt and the iron-silica phase-fayalite (IQF) buffer, D(Pd) and D(Pt) are about 2 × 103, and D(Ir) is about 3 × 103; whereas, at the maximum concentration of PGE investigated, D(Pd) and D(Pt) are about 2 × 104, and D(Ir) is about 3 × 104. A single experiment confirms the marked fractionation of Pt from Pd predicted for partitioning with alloy in S-bearing and S-saturated silicate melts. The experimental D(PGE) values for low concentration of PGE are similar to D(PGE) calculated for many sulfide ore deposits, but are several orders of magnitude lower than calculated values for concordant sulfide PGE deposits in layered complexes.

  5. A Two-Level, Discrete Particle Approach for Large-Scale Simulation of Colloidal Aggregates

    NASA Astrophysics Data System (ADS)

    Dzwinel, Witold; Yuen, David A.

    Most numerical techniques employed for aggregation simulation are based on equilibrium growth assumption and Smoluchowski theory. We present a new two-level discrete particle model, which can be employed in simulating large colloidal clusters in highly nonequilibrium physical conditions. We consider the system of colloidal particles (CP) interacting via conservative CP-CP repulsive-attractive two-body forces, which is initially mixed in a dissipative solvent. In order to obtain a high-resolution picture of colloidal dynamics, we employ around 20 million particles consisting of two kinds of particles. For bridging the spatio-temporal scales between nanoscale colloidal and the solvent particles (SP), the solvent is modeled by dissipative particle dynamics (DPD) fluid. We focus on the systems size for which the CP-SP interactions can also be described by the DPD forces. Unlike previous numerical techniques, the two-level particle model can display much more realistic physics, thus allowing for the simulation of aggregation for various types of colloids and solvent liquids in a broad range of conditions. We show that not only large and static clusters but also the initial stages of aggregation evolution can be better scrutinized. The large-scale simulation results obtained in two-dimensions show that the mean cluster size grows with time t according to the power law tκ. Because of the time-dependence of growth mechanism, the value of κ necessarily must change. We have first κ=1 with a value of 1 achieved asymptotically with time. We can also discern intermediate-scale structures. We emphasize that the method developed here can be easily extended to algorithms dealing with multi-level hierarchy and multiphase fluid dynamics.

  6. Computer-assisted quantitative evaluation of bisphosphonate treatment for Paget's disease of bone using the bone scan index

    PubMed Central

    Nagano, Satoshi; Nakamura, Shunsuke; Shimada, Hirofumi; Yokouchi, Masahiro; Setoguchi, Takao; Ishidou, Yasuhiro; Sasaki, Hiromi; Komiya, Setsuro

    2016-01-01

    The purpose of the present study was to analyze the effect of treatment of Paget's disease of bone (PDB) with bone scintigraphy using a computer-assisted diagnosis system (BONENAVI) that quantitatively evaluates bone metabolism. Seven patients with PDB (three male, four female; average age, 60 years; age range, 33–80 years) underwent bone scintigraphy and measurement of serum alkaline phosphatase (ALP), bone-specific ALP (BAP), serum cross-linked N-telopeptide (NTx) of type I collagen, urinary NTx, and deoxypyridinoline (DPD) before and after bisphosphonate treatment. Bone scan index (BSI), artificial neural network (ANN) value, and hotspot number (HSn) were calculated using BONENAVI software. Mean follow-up period was 22 months (range, 11–35 months). Among three BONENAVI parameters (ANN, BSI, and HSn), only BSI was significantly lower after bisphosphonate treatment as compared with before. All bone metabolic markers excluding DPD were significantly lower following bisphosphonate treatment than before. Bone formation markers (ALP and BAP) were significantly lower than bone resorption markers (U-NTx and S-NTx). The correlation of BONENAVI parameters with four bone metabolic markers was analyzed before and after bisphosphonate treatment. Before treatment, the majority of the four markers did not correlate with the BONENAVI parameters. In contrast, post-treatment ALP, BAP, and U-NTx were significantly correlated with BSI and HSn. To the best of our knowledge, this is the first study to evaluate the treatment of PDB by bone scintigraphy using a computer-assisted diagnosis system that quantitatively evaluates bone metabolism. The findings demonstrated that, using BONENAVI software, bone scintigraphy is able to quantitatively and spatially evaluate the bisphosphonate treatment effect, particularly in patients with polyostotic PDB. PMID:28105116

  7. Effect of ONO-5334 on bone mineral density and biochemical markers of bone turnover in postmenopausal osteoporosis: 2-year results from the OCEAN study.

    PubMed

    Eastell, Richard; Nagase, Shinichi; Small, Maria; Boonen, Steven; Spector, Tim; Ohyama, Michiyo; Kuwayama, Tomohiro; Deacon, Steve

    2014-02-01

    Cathepsin K inhibitors, such as ONO-5334, are being developed for the treatment of postmenopausal osteoporosis. However, their relative effects on bone resorption and formation, and how quickly the effects resolve after treatment cessation, are uncertain. The aim of this study was to examine the efficacy and safety of 24-month treatment with ONO-5334 and to assess the effect of treatment cessation over 2 months. We studied 197 postmenopausal women with osteoporosis or osteopenia with one fragility fracture. Patients were randomized to ONO-5334 50 mg twice daily, 100 mg or 300 mg once daily, alendronate 70 mg once weekly (positive control), or placebo for 24 months. After 24 months, all ONO-5334 doses were associated with increased bone mineral density (BMD) for lumbar spine, total hip, and femoral neck (p < 0.001). ONO-5334 300 mg significantly suppressed the bone-resorption markers urinary (u) NTX and serum and uCTX-I throughout 24 months of treatment and to a similar extent as alendronate; other resorption marker levels remained similar to placebo (fDPD for ONO-5334 300 mg qd) or were increased (ICTP, TRAP5b, all ONO-5334 doses). Levels of B-ALP and PINP were suppressed in all groups (including placebo) for approximately 6 months but then increased for ONO-5334 to close to baseline levels by 12 to 24 months. On treatment cessation, there were increases above baseline in uCTX-I, uNTX, and TRAP5b, and decreases in ICTP and fDPD. There were no clinically relevant safety concerns. Cathepsin K inhibition with ONO-5334 resulted in decreases in most resorption markers over 2 years but did not decrease most bone formation markers. This was associated with an increase in BMD; the effect on biochemical markers was rapidly reversible on treatment cessation.

  8. Calorie restriction aggravated cortical and trabecular bone architecture in ovariectomy-induced estrogen-deficient rats.

    PubMed

    Ahn, Hyejin; Seo, Dong-Hyun; Kim, Han Sung; Choue, Ryowon

    2014-08-01

    We hypothesized that calorie restriction (CR) and estrogen deficiency (ovariectomy [OVX]) would aggravate bone biomarkers and structural parameters in rats. Seven-week-old female Sprague-Dawley rats were randomized to sham-operated groups and fed either an ad libitum diet (SHAM-AL) or a CR diet (SHAM-CR); ovariectomy-operated groups were fed an ad libitum diet (OVX-AL) or a CR diet (OVX-CR). For 8 weeks, the OVX-AL and SHAM-AL groups were fed the same diet, whereas CR groups were fed a diet containing 50% fewer calories. Bone-related biomarkers and structural parameters (OC; deoxypyridinoline [DPD]; N-terminal telopeptide, NTx; architecture and mineralization; and microcomputed tomography images) were analyzed at the end of the experiment. The serum OC levels of calorie-restricted groups (SHAM-CR and OVX-CR) were significantly lower than those of the AL groups (SHAM-AL and OVX-AL) (P < .05). Urinary DPD levels of calorie-restricted and ovariectomized groups were higher than those of their counterparts (P < .05), whereas urinary NTx levels of calorie-restricted groups were higher than those of AL groups (P < .05). In regard to trabecular bone, the calorie-restricted and ovariectomized groups had lower values of bone volume to total volume, trabecular number, and bone mineral density, but higher values of trabecular separation than those of their counterparts (P < .05). Regarding cortical bone, the calorie-restricted groups had reduced values of bone volume, mean polar moment of inertia, and cortical thickness compared to the AL groups (P < .05). In conclusion, severe CR with or without OVX during the growth period in rats is equally detrimental to bone; CR has detrimental effects on trabecular and cortical bone; and estrogen deficiency only had an effect on trabecular bone.

  9. Dissipative particle dynamics simulation of flow generated by two rotating concentric cylinders: boundary conditions.

    PubMed

    Haber, S; Filipovic, N; Kojic, M; Tsuda, A

    2006-10-01

    The dissipative particle dynamics (DPD) method was used to simulate the flow in a system comprised of a fluid occupying the space between two cylinders rotating with equal angular velocities. The fluid, initially at rest, ultimately reaches a steady, linear velocity distribution (a rigid-body rotation). Since the induced flow field is solely associated with the no-slip boundary condition at the walls, we employed this system as a benchmark to examine the effect of bounce-back reflections, specular reflections, and Pivkin-Karniadakis no-slip boundary conditions, upon the steady-state velocity, density, and temperature distributions. An additional advantage of the foregoing system is that the fluid occupies inherently a finite bounded domain so that the results are affected by the prescribed no-slip boundary conditions only. Past benchmark systems such as Couette flow between two infinite parallel plates or Poiseuille flow in an infinitely long cylinder must employ artificial periodic boundary conditions at arbitrary upstream and downstream locations, a possible source of spurious effects. In addition, the effect of the foregoing boundary conditions on the time evolution of the simulated velocity profile was compared with that of the known, time-dependent analytical solution. It was shown that bounce-back reflection yields the best results for the velocity distributions with small fluctuations in density and temperature at the inner fluid domain and larger deviations near the walls. For the unsteady solutions a good fit is obtained if the DPD friction coefficient is proportional to the kinematic viscosity. Based on dimensional analysis and the numerical results a universal correlation is suggested between the friction coefficient and the kinematic viscosity.

  10. AI-2/LuxS is involved in increased biofilm formation by Streptococcus intermedius in the presence of antibiotics.

    PubMed

    Ahmed, Nibras A; Petersen, Fernanda C; Scheie, Anne A

    2009-10-01

    Bacteria utilize quorum-sensing communication to organize their behavior by monitoring the concentration of bacterial signals, referred to as autoinducers (AIs). The widespread detection of AI-2 signals and its enzymatic synthase (LuxS) in bacteria suggests that AI-2 is an inter- and intraspecies communication signal. We have previously shown that antibiotic susceptibility is affected by AI-2 signaling in Streptococcus anginosus. Since chronic infections involve persistent biofilms resilient to antibiotic treatment, we explored the role of AI-2/LuxS in Streptococcus intermedius biofilm formation and cell viability when the organism was exposed to sub-MICs of ampicillin, ciprofloxacin, or tetracycline. The S. intermedius wild type (WT) and its isogenic luxS mutant, strain SI006, were exposed to sub-MICs of ampicillin, ciprofloxacin, or tetracycline. Biofilms were formed on polystyrene discs in microtiter plates. To assess planktonic cell viability, the ATP microbial viability assay was performed and the numbers of CFU were determined. For complementation assays, the AI-2 precursor dihydroxy pentanedione (DPD) was used as a supplement for SI006. Relative luxS expression was quantified by real-time PCR. The sub-MICs of all three antibiotics increased biofilm formation in S. intermedius WT. However, biofilm formation by SI006 was either unaffected or reduced (P < or = 0.05). Bacterial viability tests of biofilm and planktonic cell cultures indicated that SI006 was more susceptible to antibiotics than the WT. DPD complemented the luxS mutant phenotype. Real-time PCR revealed modest yet significant changes in luxS expression in the presence of antibiotic concentrations that increased biofilm formation. In conclusion, in S. intermedius, AI-2/LuxS was involved in antibiotic susceptibility and increased biofilm formation at sub-MICs of antibiotic.

  11. Pseudo-random number generation for Brownian Dynamics and Dissipative Particle Dynamics simulations on GPU devices

    SciTech Connect

    Phillips, Carolyn L.; Anderson, Joshua A.; Glotzer, Sharon C.

    2011-08-10

    Highlights: {yields} Molecular Dynamics codes implemented on GPUs have achieved two-order of magnitude computational accelerations. {yields} Brownian Dynamics and Dissipative Particle Dynamics simulations require a large number of random numbers per time step. {yields} We introduce a method for generating small batches of pseudorandom numbers distributed over many threads of calculations. {yields} With this method, Dissipative Particle Dynamics is implemented on a GPU device without requiring thread-to-thread communication. - Abstract: Brownian Dynamics (BD), also known as Langevin Dynamics, and Dissipative Particle Dynamics (DPD) are implicit solvent methods commonly used in models of soft matter and biomolecular systems. The interaction of the numerous solvent particles with larger particles is coarse-grained as a Langevin thermostat is applied to individual particles or to particle pairs. The Langevin thermostat requires a pseudo-random number generator (PRNG) to generate the stochastic force applied to each particle or pair of neighboring particles during each time step in the integration of Newton's equations of motion. In a Single-Instruction-Multiple-Thread (SIMT) GPU parallel computing environment, small batches of random numbers must be generated over thousands of threads and millions of kernel calls. In this communication we introduce a one-PRNG-per-kernel-call-per-thread scheme, in which a micro-stream of pseudorandom numbers is generated in each thread and kernel call. These high quality, statistically robust micro-streams require no global memory for state storage, are more computationally efficient than other PRNG schemes in memory-bound kernels, and uniquely enable the DPD simulation method without requiring communication between threads.

  12. From molecular dynamics to hydrodynamics: a novel Galilean invariant thermostat.

    PubMed

    Stoyanov, Simeon D; Groot, Robert D

    2005-03-15

    This paper proposes a novel thermostat applicable to any particle-based dynamic simulation. Each pair of particles is thermostated either (with probability P) with a pairwise Lowe-Andersen thermostat [C. P. Lowe, Europhys. Lett. 47, 145 (1999)] or (with probability 1-P) with a thermostat that is introduced here, which is based on a pairwise interaction similar to the Nosé-Hoover thermostat. When the pairwise Nosé-Hoover thermostat dominates (low P), the liquid has a high diffusion coefficient and low viscosity, but when the Lowe-Andersen thermostat dominates, the diffusion coefficient is low and viscosity is high. This novel Nosé-Hoover-Lowe-Andersen thermostat is Galilean invariant and preserves both total linear and angular momentum of the system, due to the fact that the thermostatic forces between each pair of the particles are pairwise additive and central. We show by simulation that this thermostat also preserves hydrodynamics. For the (noninteracting) ideal gas at P = 0, the diffusion coefficient diverges and viscosity is zero, while for P > 0 it has a finite value. By adjusting probability P, the Schmidt number can be varied by orders of magnitude. The temperature deviation from the required value is at least an order of magnitude smaller than in dissipative particle dynamics (DPD), while the equilibrium properties of the system are very well reproduced. The thermostat is easy to implement and offers a computational efficiency better than (DPD), with better temperature control and greater flexibility in terms of adjusting the diffusion coefficient and viscosity of the simulated system. Applications of this thermostat include all standard molecular dynamic simulations of dense liquids and solids with any type of force field, as well as hydrodynamic simulation of multiphase systems with largely different bulk viscosities, including surface viscosity, and of dilute gases and plasmas.

  13. Systematic parameter inference in stochastic mesoscopic modeling

    NASA Astrophysics Data System (ADS)

    Lei, Huan; Yang, Xiu; Li, Zhen; Karniadakis, George Em

    2017-02-01

    We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the prior knowledge that the coefficients are "sparse". The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.

  14. Dissipative Particle Dynamics modeling of nanorod-polymer composites

    NASA Astrophysics Data System (ADS)

    Khani, Shaghayegh; Maia, Joao

    2014-11-01

    Recent years have seen a plethora of experimental methods for fabricating nanorod-polymer composites with enhanced physical and mechanical properties. The macroscopic properties of the composites are directly related to the dispersion and organization of the nanoparticles in the matrix. For instance, a significant improvement in the properties of the nanorod-polymer composites is observed upon formation of a percolating network. Thus, controlling the structure of the nanoparticles in the matrix will advance the technology in the field. One way of doing this is by adjusting the chemical interactions which is done through grafting polymer chains on the surface of the rods. Although the enthalpic interactions play the major role in such systems other entropic variables such as the dimension of the rods, density of grafting and etc. may influence the final morphology of the system. The recent developments in the computational techniques have paved the road for further understanding of the controlled assembly of nanorods in polymer matrices. In this study, Dissipative Particle Dynamics (DPD) is employed in order to investigate the effect of enthalpic and entopic variables on the phase behavior of the nanorod-polymer composites. DPD is a coarse-grained mesoscale method which has been found very promising in simulating multi component systems. The interaction parameter between the components of the systems can be mapped onto the Flory-Huggins χ-parameter via well-known Groot-Warren expression. The main goal of this work is to provide a phase diagram that can be used to guide the experiments in designing new materials.

  15. Humanized anti-interleukin-6-receptor antibody (tocilizumab) monotherapy is more effective in slowing radiographic progression in patients with rheumatoid arthritis at high baseline risk for structural damage evaluated with levels of biomarkers, radiography, and BMI: data from the SAMURAI study.

    PubMed

    Hashimoto, Jun; Garnero, Patrick; van der Heijde, Désirée; Miyasaka, Nobuyuki; Yamamoto, Kazuhiko; Kawai, Shinichi; Takeuchi, Tsutomu; Yoshikawa, Hideki; Nishimoto, Norihiro

    2011-02-01

    Our aim was to assess the ability of tocilizumab monotherapy to reduce progressive structural joint damage in rheumatoid arthritis patients at high risk of progression. This study was a subanalysis from a prospective 1-year, multicenter, X-ray-reader-blinded, randomized controlled trial of tocilizumab [Study of Active Controlled Monotherapy Used for Rheumatoid Arthritis, an IL-6 Inhibitor (SAMURAI) trial]. All patients were categorized into two or three groups according to four independent predictive markers for progressive joint damage [urinary C-terminal crosslinking telopeptide (uCTX-II), urinary pyridinoline/deoxypyridinoline (uPYD/DPD) ratio, body mass index (BMI), and joint-space narrowing (JSN) score at baseline]. One-year progression of joint destruction was assessed in high-risk versus low-risk groups receiving tocilizumab monotherapy and compared with patients receiving conventional disease-modifying antirheumatic drugs (DMARDs) (n = 157 and 145, respectively). In patients at high risk of progression of erosion as estimated by high uCTX-II, uPYD/DPD, or low BMI, and at high risk of progression of JSN as estimated by low BMI or high JSN score, the 52-week changes in radiological erosion and JSN, respectively, were significantly less in patients treated with tocilizumab monotherapy compared with those receiving DMARDs for each type of risk factor. In patients at low risk, those receiving tocilizumab also progressed less than those on DMARDs, although the difference did not reach statistical significance. Tocilizumab monotherapy is more effective in reducing radiological progression in patients presenting with risk factors for rapid progression than in low-risk patients. Patients at high risk for progression may benefit more from tocilizumab treatment.

  16. Dynamics of a polyelectrolyte in simple shear flow

    NASA Astrophysics Data System (ADS)

    Jayasree, Kandiledath; Kumar Manna, Raj; Banerjee, Debapriya; Kumar, P. B. Sunil

    2013-12-01

    The configurational dynamics of a polyelectrolyte (PE), subjected to a simple shear flow, is studied using Brownian dynamics (BD) and Dissipative Particle Dynamics (DPD) simulations of a bead-spring model with explicit counterions. We explore the effect of counterion condensation on the tumbling and extension of PEs by varying the shear rates for a range of values of the electrostatic coupling parameter A (which is defined as the ratio of the Bjerrum length to the size of the monomer). In all cases, the power spectrum of Rs(t) (which characterizes the projected length of the PE in the flow direction as a function of time) exhibits a power law decay at high frequencies, similar to that for a dumbbell in shear flow. For lower values of A (A ˜ 2), the tumbling of the PE is periodic and is always associated with folding and stretching, which is in contrast to the oscillatory transition between the extended and globular states seen at higher values of A (A ˜ 15). We observe that for A ˜ 2 the tumbling frequency decreases and the average tumbling time increases with hydrodynamic interaction (HI). For A > 15, we observe a critical shear rate {dot{γ }}_c below which there is considerable counterion condensation and the PE remains in the globular state with a structure akin to that of a neutral polymer in poor solvent. The {dot{γ }}_c and the behavior of the PE above the critical shear rate are dependent on the HI. For a given shear rate, when there is considerable condensed counterion fluctuation, the PE extends as a whole and then collapses by the formation of folds with no observable periodicity in tumbling. When the condensed counterion fluctuations are suppressed, the polymer exhibits periodic tumbling. Simulation artifacts resulting from the implicit nature of the solvent and that due to boundary conditions are discussed by comparing the BD results with that obtained from the DPD simulations incorporating Ewald summation for electrostatics.

  17. New implementation of the configuration-based multi-reference second order perturbation theory

    NASA Astrophysics Data System (ADS)

    Lei, Yibo; Wang, Yubin; Han, Huixian; Song, Qi; Suo, Bingbing; Wen, Zhenyi

    2012-10-01

    We present an improved version of the configuration-based multi-reference second-order perturbation approach (CB-MRPT2) according to the formulation of Lindgren on perturbation theory of a degenerate model space. This version involves a reclassification of the perturbation functions and new algorithms to calculate matrix elements in the perturber energy expressions utilizing the graphical unitary group approach and the hole-particle symmetry. The diagonalize-then-perturb (DP), including Rayleigh-Schrödinger and Brillouin-Wigner, and diagonalize-then-perturb-then-diagonalize (DPD) modes have been implemented. The new CB-MRPT2 method is applied to several typical and interesting systems: (1) the vertical excitation energies for several states of CO and N2, (2) energy comparison and timing of the ground state of C4H6, (3) the quasi-degeneracy of states in LiF, (4) the intruder state problems of AgH, and (5) the relative energies of di-copper-oxygen-ammonia complex isomers. The results indicate that the computational accuracy and efficiency of the presented methods are competitive and intruder-free. It should be emphasized that the DPD method rectifies naturally the shortcomings of LiF potential energy curves constructed by the original second order complete active space perturbation theory (CASPT2), without having to recourse to the so-called state mixture. Unlike CASPT2, the new methods give the same energy ordering for the two di-copper-oxygen-ammonia isomers as the previous multi-reference configuration interaction with single and double excitations methods. The new CB-MRPT2 method is shown to be a useful tool to study small to medium-sized systems.

  18. [Educational scheme for patients on home peritoneal dialysis in Spain].

    PubMed

    Cirera Segura, F; Martín Espejo, J L; Reina Neyra, M

    2008-01-01

    The objective of the present study is to obtain information about the training programme for patients undergoing Domiciliary Peritoneal Dialysis (DPD) in Spain. For the purposes of the study we designed a questionnaire comprising 50 closed-ended items and one open response item. The questionnaire was sent to 104 hospitals and was completed by 78.84% of them (n > or = 82). The average of patients undergoing peritoneal dialysis (PD) in the hospitals under study was 27.6: 15.8 of them receiving Chronic Ambulatory Peritoneal Dialysis (CAPD) and 11.8 Automatic Peritoneal Dialysis (APD). The questionnaire also served to investigate into the training methodology used in the different units, the involvement of the family in the programme, the basic knowledge patients received about Chronic Renal Insufficiency, the procedures associated with the therapy and the preparation they obtained to solve small-scale contingencies and emergency situations as well as the improvement of their quality of life. We also evaluated the training programme of autonomous patients on DPD and at the end of the questionnaire a blank space was left for facilities to add any comments or suggestions they considered relevant. From the results obtained we may conclude that most Spanish hospitals have devised a training planning for patients undergoing PD which helps them or caregivers to perform domiciliary treatment safely, provides them with basic knowledge about the disease and the routine procedures associated with the treatment, enables them to cope with contingencies and emergency situations and improves their quality of life during the dialysis period.

  19. Computational Biorheology of Human Blood Flow in Health and Disease

    PubMed Central

    Fedosov, Dmitry A.; Dao, Ming; Karniadakis, George Em; Suresh, Subra

    2014-01-01

    Hematologic disorders arising from infectious diseases, hereditary factors and environmental influences can lead to, and can be influenced by, significant changes in the shape, mechanical and physical properties of red blood cells (RBCs), and the biorheology of blood flow. Hence, modeling of hematologic disorders should take into account the multiphase nature of blood flow, especially in arterioles and capillaries. We present here an overview of a general computational framework based on dissipative particle dynamics (DPD) which has broad applicability in cell biophysics with implications for diagnostics, therapeutics and drug efficacy assessments for a wide variety of human diseases. This computational approach, validated by independent experimental results, is capable of modeling the biorheology of whole blood and its individual components during blood flow so as to investigate cell mechanistic processes in health and disease. DPD is a Lagrangian method that can be derived from systematic coarse-graining of molecular dynamics but can scale efficiently up to arterioles and can also be used to model RBCs down to the spectrin level. We start from experimental measurements of a single RBC to extract the relevant biophysical parameters, using single-cell measurements involving such methods as optical tweezers, atomic force microscopy and micropipette aspiration, and cell-population experiments involving microfluidic devices. We then use these validated RBC models to predict the biorheological behavior of whole blood in healthy or pathological states, and compare the simulations with experimental results involving apparent viscosity and other relevant parameters. While the approach discussed here is sufficiently general to address a broad spectrum of hematologic disorders including certain types of cancer, this paper specifically deals with results obtained using this computational framework for blood flow in malaria and sickle cell anemia. PMID:24419829

  20. Guatemalan Counterinsurgency Strategy

    DTIC Science & Technology

    1989-04-07

    n.d. 7. Gramajo, Hector A. "Leccion inaugural - x promocion - curso de comando y estado mayor." Diss. Centro de Estudios Militares, 1987. Guatemala...Guatemala, 1987. 8. Letona, Roberto E., LTC. Estrategia actual de la guer- rilla contra-subversiva del ejercito de Guatemala. Thesis. Guatemala

  1. Trazando la materia oscura con cúmulos globulares

    NASA Astrophysics Data System (ADS)

    Forte, J. C.

    Se describe la estrategia adoptada para mapear la distribución de materia oscura y bariónica en galaxias elípticas cuyos cúmulos globulares están siendo observados con los telescopios VLT y Gemini. Se ejemplifican los resultados con los datos obtenidos en el cúmulo de Fornax.

  2. Educacion intercultural (Intercultural Education).

    ERIC Educational Resources Information Center

    Estudios sobre Educacion, 2003

    2003-01-01

    This journal, which provides abstracts of its articles primarily in Spanish and a couple in English, contains studies (estudios) and notes (notas), as well as relevant book reviews (recensiones). Studies in this issue (No. 4, 2003) are: "Estrategias de Ensenanza para la Educacion Civica y Ciudadana en el Siglo XXI" (Teaching Strategies…

  3. Constitutions and Democratic Consolidation: Brazil in Comparative Perspective

    DTIC Science & Technology

    1989-03-31

    Politica. Uma Estrategia para a Democracia," in Fabio W. Reis and Guillermo O’Donnell, eds.,A Democracia no Brasil: Dilemas e Perspectivas (Sao Paulo... Perspectiva dos Anos 80, Dados 24, no. 2, pp. 139-59. 32. Interview with a consultant to lobbies in Brasilia on May 16, 1988. Veja gave coverage to some

  4. Los LGBT y fumar | Smokefree Español

    Cancer.gov

    En Estados Unidos, las personas lesbianas, gays, bisexuales y transexuales (LGBT) tienen el doble de probabilidades de empezar a fumar que los heterosexuales. Sepa por qué los miembros de la comunidad LGBT fuman y aprenda estrategias para dejar de fumar definitivamente.

  5. DIRECT MEASUREMENT OF MERCURY REACTIONS IN COAL POWER PLANT PLUMES

    SciTech Connect

    Leonard Levin

    2006-06-01

    -September 5, 2003. The experimental site was the Pleasant Prairie Power Plant in Pleasant Prairie, Wisconsin, just west of Kenosha. The experiment involved using an aircraft to capture emissions and document chemistry changes in the plume. While using the airplane for sampling, supplemental fast-response sensors for NOx, connected to data loggers, were used to gauge entry and exit times and transect intervals through plume emissions material. The Frontier Geosciences Static Plume Dilution Chamber (SPDC) was employed simultaneously adjacent to the stack to correlate its findings with the aircraft sampling, as well as providing evaluation of the SPDC as a rapid, less costly sampler for mercury chemistry. A complementary stack plume method, the Dynamic Plume Dilution (DPD) was used in the latter portion of the experiment to measure mercury speciation to observe any mercury reduction reaction with respect to both the reaction time (5 to 30 seconds) and dilution ratio. In addition, stack sampling using the ''Ontario Hydro'' wet chemistry method and continuous mercury monitors (CMM) were used to establish the baseline chemistry in the stack. Comparisons among stack, SPDC, DPD and aircraft measurements allow establishment of whether significant chemical changes to mercury occur in the plume, and of the verisimilitude of the SPDC and DPD methods. This progress report summarizes activities during a period of results review from the stack/aircraft subcontractor, data analysis and synthesis, and preparation and presentation of preliminary results to technical and oversight meetings.

  6. DIRECT MEASUREMENT OF MERCURY REACTIONS IN COAL POWER PLANT PLUMES

    SciTech Connect

    Leonard Levin

    2004-01-01

    -September 5, 2003. The experimental site was the Pleasant Prairie Power Plant in Pleasant Prairie, Wisconsin, just west of Kenosha. The experiment involved using an aircraft to capture emissions and document chemistry changes in the plume. While using the airplane for sampling, supplemental fast-response sensors for NOx, connected to data loggers, were used to gauge entry and exit times and transect intervals through plume emissions material. The Frontier Geosciences Static Plume Dilution Chamber (SPDC) was employed simultaneously adjacent to the stack to correlate its findings with the aircraft sampling, as well as providing evaluation of the SPDC as a rapid, less costly sampler for mercury chemistry. A complementary stack plume method, the Dynamic Plume Dilution (DPD) was used in the latter portion of the experiment to measure mercury speciation to observe any mercury reduction reaction with respect to both the reaction time (5 to 30 seconds) and dilution ratio. In addition, stack sampling using the ''Ontario Hydro'' wet chemistry method and continuous mercury monitors (CMM) were used to establish the baseline chemistry in the stack. Comparisons among stack, SPDC, DPD and aircraft measurements following data analysis will allow establishment of whether significant chemical changes to mercury occur in the plume, and of the verisimilitude of the SPDC and DPD methods.

  7. The role of interactions between accommodation and vergence in human visual development

    NASA Astrophysics Data System (ADS)

    Teel, Danielle F. W.

    Even in early infancy accommodation and vergence interact through neural coupling such that accommodation drives vergence (AC/A ratio) and vergence drives accommodation (CA/C ratio), to assist coordination and development of clear and single binocular vision. Infants have narrow inter-pupillary distances (IPD) requiring less vergence in angular units (degrees or prism diopters), and are typically hyperopic, requiring larger accommodative responses (diopters) than adults. The relative demands also change with emmetropization (decreasing hyperopia) and head growth (increasing IPD) over time. Therefore, adult-like couplings may not be optimal during development and the couplings may play a role in abnormality such as esotropia. A range of cues can drive accommodation and vergence. In addition to blur and disparity, proximity in the form of looming, size and perceived distance has been shown to influence the interactions between accommodation and vergence in adults. The role of this cue in measures of coupling is also poorly understood and may impact key clinical AC/A estimates in young children. Utilizing principles of eccentric photorefraction and Purkinje image eye tracking, this research examines the AC/A and CA/C ratios in infants, preschoolers and adults as a function of age, refractive error and interpupillary distance, plus the role proximity, specifically looming and size cues, plays in estimating the AC/A ratio in three year olds and adults. The AC/A (PD/D) was significantly higher in adults than three-year-olds or infants but similar across age groups in MA/D units. The CA/C was higher in infants than adults or three-year-olds (D/MA and D/PD). Although, not fully reciprocally related, a significant negative relationship was found between the response AC/A and CA/C. Similarly, higher AC/As (PD/D) and lower CA/Cs (D/PD) were associated with larger IPDs and less hyperopia. Although, not statistically significant the absence of proximity resulted in a trend

  8. The Sunspot Number and beyond : reconstructing detailed solar information over centuries

    NASA Astrophysics Data System (ADS)

    Lefevre, L.

    2014-12-01

    With four centuries of solar evolution, the International Sunspot Number (SSN) forms the longest solar time series currently available. It provides an essential reference for understanding and quantifying how the solar output has varied over decades and centuries and thus for assessing the variations of the main natural forcing on the Earth climate. Because of its importance, this unique time-series must be closely monitored for any possible biases and drifts. Here, we report about recent disagreements between solar indices, for example the sunspot sumber and the 10.7cm radio flux. Recent analyses indicate that while part of this divergence may be due to a calibration drift in the SSN, it also results from an intrinsic change in the global magnetic parameters of sunspots and solar active regions, suggesting a possible transition to a new activity regime. Going beyond the SSN series, in the framework of the TOSCA (www.cost-tosca.eu/) and SOLID (projects.pmodwrc.ch/solid/) projects, we produced a survey of all existing catalogs providing detailed sunspot information (Lefevre & Clette, 2014:10.1007/s11207-012-0184-5) and we also located different primary solar images and drawing collections that can be exploitable to complement the existing catalogs. These are first steps towards the construction of a multi-parametric time series of multiple sunspot and sunspot group properties over more than a century, allowing to reconstruct and extend the current 1-D SSN series. By bringing new spatial, morphological and evolutionary information, such a data set should bring major advances for the modeling of the solar dynamo and solar irradiance. We will present here the current status of this work. The preliminary version catalog now extends over the last 150 years. It makes use of data from DPD (http://fenyi.solarobs.unideb.hu/DPD/index.html), from the Uccle Solar Equatorial Table (USET:http://sidc.oma.be/uset/) operated by the Royal Obeservatory of Belgium, the Greenwich

  9. Accuracy, Precision, Ease-Of-Use, and Cost of Methods to Test Ebola-Relevant Chlorine Solutions.

    PubMed

    Wells, Emma; Wolfe, Marlene K; Murray, Anna; Lantagne, Daniele

    2016-01-01

    To prevent transmission in Ebola Virus Disease (EVD) outbreaks, it is recommended to disinfect living things (hands and people) with 0.05% chlorine solution and non-living things (surfaces, personal protective equipment, dead bodies) with 0.5% chlorine solution. In the current West African EVD outbreak, these solutions (manufactured from calcium hypochlorite (HTH), sodium dichloroisocyanurate (NaDCC), and sodium hypochlorite (NaOCl)) have been widely used in both Ebola Treatment Unit and community settings. To ensure solution quality, testing is necessary, however test method appropriateness for these Ebola-relevant concentrations has not previously been evaluated. We identified fourteen commercially-available methods to test Ebola-relevant chlorine solution concentrations, including two titration methods, four DPD dilution methods, and six test strips. We assessed these methods by: 1) determining accuracy and precision by measuring in quintuplicate five different 0.05% and 0.5% chlorine solutions manufactured from NaDCC, HTH, and NaOCl; 2) conducting volunteer testing to assess ease-of-use; and, 3) determining costs. Accuracy was greatest in titration methods (reference-12.4% error compared to reference method), then DPD dilution methods (2.4-19% error), then test strips (5.2-48% error); precision followed this same trend. Two methods had an accuracy of <10% error across all five chlorine solutions with good precision: Hach digital titration for 0.05% and 0.5% solutions (recommended for contexts with trained personnel and financial resources), and Serim test strips for 0.05% solutions (recommended for contexts where rapid, inexpensive, and low-training burden testing is needed). Measurement error from test methods not including pH adjustment varied significantly across the five chlorine solutions, which had pH values 5-11. Volunteers found test strip easiest and titration hardest; costs per 100 tests were $14-37 for test strips and $33-609 for titration. Given the

  10. Exposure of mouse skin to organic peroxides: subchronic effects related to carcinogenic potential.

    PubMed

    Hanausek, Margaret; Walaszek, Zbigniew; Viaje, Aurora; LaBate, Michael; Spears, Erick; Farrell, David; Henrich, Richard; Tveit, Ann; Walborg, Earl F; Slaga, Thomas J

    2004-03-01

    Screening of newly synthesized organic peroxides for tumor initiating/promoting activity would be greatly facilitated if predictive methodologies could be developed using topical exposures shorter than those required for definitive tumor assessment in mouse skin models. Nine organic peroxides [benzoyl peroxide (BZP), di-t-butyl peroxide (DTBP), t-butyl peroxybenzoate (TBPB), p-t-butyl isopropylbenzene hydroperoxide (TBIBHP), cumene hydroperoxide (CHP), dicetyl peroxydicarbonate (DPD), dicumyl peroxide (DCP), methyl ethyl ketone peroxide (MEKP) and O,O-t-butyl-O-(2-ethylhexyl) monoperoxycarbonate (TBEC)] were evaluated for their ability to increase biomarkers of tumor promotion in mouse skin, i.e. sustained epidermal hyperplasia, dermal inflammation and oxidative DNA damage. Evaluations were performed using SENCAR mice exposed topically for 4 weeks. The organic peroxides varied in their effects on these biomarkers. BZP, TBPB and TBIBHP exhibited significant increases in all three biomarkers associated with tumor promoting activity, CHP produced increases only in sustained epidermal hyperplasia and dermal inflammation, MEKP and DCP produced increases only in sustained epidermal hyperplasia and TBEC produced an increase only in dermal inflammation. DTBP and DPD had no effect on the three parameters studied. TBPB and TBIBHP were selected for further examination of their ability to produce mutations in codons 12, 13 and 61 of the c-Ha-ras protooncogene, i.e. those mutations known to be involved in the initiation of mouse skin tumors, because they were the only peroxides to exhibit significant positive results in all assays except the Ha-ras mutation following 4 weeks of exposure. Evaluations were performed using SENCAR mice dosed topically for 8 or 12 weeks in a complete carcinogenesis protocol or 16 weeks in an initiation/promotion protocol using 7,12-dimethylbenz[a]anthracene, urethane, benzo[a]pyrene and N-methyl-N'-nitro-N-nitrosoguanidine as positive controls

  11. Simulation and modelling of slip flow over surfaces grafted with polymer brushes and glycocalyx fibres.

    PubMed

    Deng, Mingge; Li, Xuejin; Liang, Haojun; Caswell, Bruce; Karniadakis, George Em

    2012-11-01

    Fabrication of functionalized surfaces using polymer brushes is a relatively simple process and parallels the presence of glycocalyx filaments coating the luminal surface of our vasculature. In this paper, we perform atomistic-like simulations based on dissipative particle dynamics (DPD) to study both polymer brushes and glycocalyx filaments subject to shear flow, and we apply mean-field theory to extract useful scaling arguments on their response. For polymer brushes, a weak shear flow has no effect on the brush density profile or its height, while the slip length is independent of the shear rate and is of the order of the brush mesh size as a result of screening by hydrodynamic interactions. However, for strong shear flow, the polymer brush is penetrated deeper and is deformed, with a corresponding decrease of the brush height and an increase of the slip length. The transition from the weak to the strong shear regime can be described by a simple 'blob' argument, leading to the scaling γ̇0 ∝ σ(3/2), where γ̇0 is the critical transition shear rate and σ is the grafting density. Furthermore, in the strong shear regime, we observe a cyclic dynamic motion of individual polymers, causing a reversal in the direction of surface flow. To study the glycocalyx layer, we first assume a homogeneous flow that ignores the discrete effects of blood cells, and we simulate microchannel flows at different flow rates. Surprisingly, we find that, at low Reynolds number, the slip length decreases with the mean flow velocity, unlike the behaviour of polymer brushes, for which the slip length remains constant under similar conditions. (The slip length and brush height are measured with respect to polymer mesh size and polymer contour length, respectively.) We also performed additional DPD simulations of blood flow in a tube with walls having a glycocalyx layer and with the deformable red blood cells modelled accurately at the spectrin level. In this case, a plasma cell

  12. Quorum sensing signals affect spoilage of refrigerated large yellow croaker (Pseudosciaena crocea) by Shewanella baltica.

    PubMed

    Zhu, Junli; Zhao, Aifei; Feng, Lifang; Gao, Haichun

    2016-01-18

    In this work we investigated the specific spoilage organism (SSO) of large yellow croaker (Pseudosciaena crocea) stored at 4°C and role of quorum sensing (QS) system of SSO isolated from the spoiled fish. According to microbial count and 16S rRNA gene of the isolated pure strains, Shewanella, mainly Shewanella baltica and Shewanella putrefaciens, was predominant genera at the end of shelf-life of P. crocea. Among Shewanella isolates, S.baltica02 was demonstrated as SSO in spoilage potential characteristics by inoculation into sterile fish juice using sensory and chemical analyses. Autoinducer 2 and two cyclic dipeptides (DKPs) including cyclo-(l-Pro-l-Leu) and cyclo-(l-Pro-l-Phe), no any AHLs, were detected in cell-free S. baltica culture. Interestingly, S.baltica02 had the highest QS activity among three spoilers of S. baltica. The production of biofilm, trimethylamines (TMA) and putrescine in these spoilers significantly increased in the presence of cyclo-(l-Pro-l-Leu), rather than cyclo-(l-Pro-l-Phe) and 4,5-dihydroxy-2,3-pentanedione (the AI-2 precursor, DPD). In accordance with the effect of signal molecules on the spoilage phenotype, exposure to exogenous cyclo-(l-Pro-l-Leu) was also showed to up-regulate the transcription levels of luxR, torA and ODC, and no effect of luxS indicated that S. baltica could sense cyclo-(l-Pro-l-Leu). In the fish homogenate, exogenous cyclo-(l-Pro-l-Leu) shortened lag phase durations and enhanced growth rates of the dominant bacteria, H2S producing bacteria, under refrigerated storage, while exogenous DPD retarded growth of competing bacteria, such as Enterobacteriaceae. Meanwhile, cyclo-(l-Pro-l-Leu) also promoted the accumulation of metabolites on the spoilage process of homogenate. S.baltica02 luxS mutant preliminarily proved that AI-2 might not play a signaling role in the spoilage. The present study suggested that the spoilage potential of S. baltica in P. crocea might be regulated by DKP-based quorum sensing.

  13. Blood flow in small tubes: quantifying the transition to the non-continuum regime

    PubMed Central

    Lei, Huan; Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George Em

    2013-01-01

    In small vessels blood is usually treated as a Newtonian fluid down to diameters of ~200 μm. We investigate the flow of red blood cell (RBC) suspensions driven through small tubes (diameters 10–150 μm) in the range marking the transition from arterioles and venules to the largest capillary vessels. The results of the simulations combined with previous simulations of uniform shear flow and experimental data show that for diameters less than ~100 μm the suspension’s stress cannot be described as a continuum, even a heterogeneous one. We employ the dissipative particle dynamics (DPD) model, which has been successfully used to predict human blood bulk viscosity in homogeneous shear flow. In tube flow the cross-stream stress gradient induces an inhomogeneous distribution of RBCs featuring a centreline cell density peak, and a cell-free layer (CFL) next to the wall. For a neutrally buoyant suspension the imposed linear shear-stress distribution together with the differentiable velocity distribution allow the calculation of the local viscosity across the tube section. The viscosity across the section as a function of the strain rate is found to be essentially independent of tube size for the larger diameters and is determined by the local haematocrit (H) and shear rate. Other RBC properties such as asphericity, deformation, and cell-flow orientation exhibit similar dependence for the larger tube diameters. As the tube size decreases below ~100 μm in diameter, the viscosity in the central region departs from the large-tube similarity function of the shear rate, since H increases significantly towards the centreline. The dependence of shear stress on tube size, in addition to the expected local shear rate and local haematocrit, implies that blood flow in small tubes cannot be described as a heterogeneous continuum. Based on the analysis of the DPD simulations and on available experimental results, we propose a simple velocity-slip model that can be used in

  14. Accuracy, Precision, Ease-Of-Use, and Cost of Methods to Test Ebola-Relevant Chlorine Solutions

    PubMed Central

    Wells, Emma; Wolfe, Marlene K.; Murray, Anna; Lantagne, Daniele

    2016-01-01

    To prevent transmission in Ebola Virus Disease (EVD) outbreaks, it is recommended to disinfect living things (hands and people) with 0.05% chlorine solution and non-living things (surfaces, personal protective equipment, dead bodies) with 0.5% chlorine solution. In the current West African EVD outbreak, these solutions (manufactured from calcium hypochlorite (HTH), sodium dichloroisocyanurate (NaDCC), and sodium hypochlorite (NaOCl)) have been widely used in both Ebola Treatment Unit and community settings. To ensure solution quality, testing is necessary, however test method appropriateness for these Ebola-relevant concentrations has not previously been evaluated. We identified fourteen commercially-available methods to test Ebola-relevant chlorine solution concentrations, including two titration methods, four DPD dilution methods, and six test strips. We assessed these methods by: 1) determining accuracy and precision by measuring in quintuplicate five different 0.05% and 0.5% chlorine solutions manufactured from NaDCC, HTH, and NaOCl; 2) conducting volunteer testing to assess ease-of-use; and, 3) determining costs. Accuracy was greatest in titration methods (reference-12.4% error compared to reference method), then DPD dilution methods (2.4–19% error), then test strips (5.2–48% error); precision followed this same trend. Two methods had an accuracy of <10% error across all five chlorine solutions with good precision: Hach digital titration for 0.05% and 0.5% solutions (recommended for contexts with trained personnel and financial resources), and Serim test strips for 0.05% solutions (recommended for contexts where rapid, inexpensive, and low-training burden testing is needed). Measurement error from test methods not including pH adjustment varied significantly across the five chlorine solutions, which had pH values 5–11. Volunteers found test strip easiest and titration hardest; costs per 100 tests were $14–37 for test strips and $33–609 for titration

  15. [Scope of two educational strategies to develop the clinical aptitude of the family physician].

    PubMed

    Reyes-Ruiz, María Esther; García-Mangas, José Alberto; Pérez-Ilagor, Víctor Manuel

    2014-01-01

    Introducción: la evaluación de la aptitud clínica se manifiesta en situaciones clínicas problematizadas y el alcance del aprendizaje depende de la cualidad de la estrategia educativa. El objetivo de este estudio fue valorar el alcance de dos enfoques educativos distintos, a fin de desarrollar la aptitud clínica del médico familiar. Métodos: diseño cuasi-experimental, en el que se sortean al azar veinte médicos generales en formación para Medicina Familiar: 10 quedan en estrategia educativa tradicional (EET) y 10 en estrategia educativa promotora de la participación (EEPP). Ambas estrategias se aplicaron durante 24 horas con el mismo contenido. En la EET se aplicó exposición con preguntas; en la EEPP discusión en pequeños grupos. El instrumento de evaluación validado tuvo una confiabilidad de 0.91 con la prueba 20 de Kuder-Richardson. Resultados: antes de la intervención, el grupo EET tuvo una mediana de 124 y el de EEPP, 105 (p = 0.19). Después, el grupo EET tuvo una mediana de 126 y el de EEPP una de 156 (p = 0.012). Se compararon ambos grupos con la prueba U de Mann Whitney. También se compararon los mismos sujetos antes y después de las intervenciones con la prueba de pares igualados de Wilcoxon. Las diferencias encontradas fueron estadísticamente significativas, lo cual no difiere de estudios previos. Conclusión: la aptitud clínica alcanzó mayor desarrollo en la EEPP al ser comparada con la EET.

  16. Modelo de accesibilidad de conceptos matematicos aplicados en el curso de Astronomia Descriptiva para estudiantes con impedimentos visuales en la UPR

    NASA Astrophysics Data System (ADS)

    Isidro Villamizar, Gloria Maria

    Este estudio utiliza metodologia de investigacion cualitativa, con el proposito de describir, analizar y evaluar los procesos de diseno y desarrollo de un modelo de accesibilidad que consiste en estrategias de ensenanza de las matematicas para estudiantes con impedimentos visuales matriculados en el curso de Astronomia Descriptiva en la UPR. Se utilizaron las siguientes estrategias para recopilar la informacion, 1) reflexiones de la investigadora en el proceso de diseno y desarrollo de las lecciones adaptadas, que se registraron en un diario reflexivo. 2) entrevista semiestructurada luego de haber trabajado las lecciones de aprendizaje adaptadas con los participantes. 3) observaciones y notas de la investigadora del trabajo de los participantes. Para obtener la informacion de los participantes se obtuvo los permisos institucionales necesarios; se seleccionaron los participantes y se validaron los instrumentos; se realizo el desarrollo de las lecciones adaptadas con los participantes; y finalmente, se analizo la informacion obtenida. El diseno de las lecciones de aprendizaje adaptadas se hizo siguiendo las recomendaciones curriculares de los temas de matematicas aplicados en el curso de Astronomia Descriptiva realizado por la investigadora durante su semestre de internado. El testimonio de las voces de los participantes se obtuvo del proceso de desarrollo de las lecciones de aprendizaje adaptadas de temas seleccionados de conceptos matematicos requeridos en el curso de Astronomia Descriptiva y de la entrevista semiestructurada con los participantes, luego de haber trabajado las lecciones de aprendizaje. Para el desarrollo de las lecciones de aprendizaje, se utilizaron materiales tactiles adaptados, materiales tactiles disenados y materiales disponibles comercialmente. Los textos de las lecciones se imprimieron en tinta y en Braille. Se exhorta a disenar y desarrollar estrategias de ensenanza accesibles, considerando como recursos para evaluar su efectividad a

  17. [Nutritional characteristics of school lunch menus in Biscay (Basque Country, Spain) in 2012/2013].

    PubMed

    Sancho Uriarte, Patricia; Cirarda Larrea, Francisco Borja; Valcárcel Alonso, Santiago

    2014-09-28

    Introducción: Uno de los elementos abordados desde la Estrategia para la Nutrición, Actividad física y prevención de la Obesidad y Salud (NAOS) es la alimentación en el medio escolar. Objetivo: Evaluar, tomando como referencia el conjunto mínimo de indicadores y recomendaciones de la Estrategia NAOS, una muestra de menús distribuidos en varios comedores escolares de Bizkaia. Métodos: Estudio descriptivo transversal basado en la revisión teórica de los menús basales distribuidos por siete cocinas centrales que abastecen a 324 centros escolares (80.969 alumnos). Se determinó y valoró la frecuencia semanal de varios grupos de alimentos; los documentos de referencia fueron “Evaluación y Seguimiento de la Estrategia NAOS: Conjunto de Indicadores” y las recomendaciones del “Documento de Consenso sobre la alimentación en los centros educativos”. Resultados y discusión: El 100% de los comedores cumple con los mínimos relativos a legumbres, pescados y precocinados y con las recomendaciones relativas a carne y productos cárnicos. Si bien se aproximan bastante, ninguno cumple con los mínimos de fruta, verdura o con la información nutricional complementaria. Se han evidenciado diferencias entre las recomendaciones de La Estrategia NAOS y las condiciones exigidas por el Departamento de Educación, así como dificultades en la cuantificación y clasificación de varios alimentos. Conclusiones: Se recomienda incrementar el contenido en frutas, verduras, huevos y pescado azul de los menús escolares, así como ofrecer a las familias una información de los menús más detallada.

  18. [Association between anxiety and coping strategies employed by primary caregivers of bedridden patients].

    PubMed

    Cedillo-Torres, Arianna Gabriela; Grijalva, María Guadalupe; Santaella-Hidalgo, Guadalupe B; Cuevas-Abad, Martha; González Pedraza-Avilés, Alberto

    2015-01-01

    Introducción: el cuidador primario enfrenta un conjunto de problemas derivados de la responsabilidad que representa cuidar al paciente; esto conlleva la generación de respuestas psicológicas complejas que actúan como mecanismos cognitivos y conductuales, conocidos como afrontamiento. El objetivo fue determinar si existía correlación entre el nivel de ansiedad y las estrategias de afrontamiento empleadas por los cuidadores primarios de pacientes en estado de postración. Métodos: estudio descriptivo, correlacional y transversal. Se aplicaron el Inventario de Ansiedad de Beck y el Inventario de Estrategias de Afrontamiento. Se utilizó el coeficiente de correlación de Spearman, un nivel de significación de 0.05 y el programa estadístico SPSS, versión 15. Resultados: se trató de 60 cuidadores primarios. La puntuación más frecuente para ansiedad fue nivel moderado (28 %). La estrategia más frecuentemente utilizada fue la resolución de problemas (media = 14.7). Al relacionar las variables se obtuvo correlación significativa con la resolución de problemas r = 0.260; la autocrítica r = 0.425; pensamiento desiderativo r = 0.412, y retirada social r = 0.453. Conclusiones: la ansiedad influye en la forma de afrontar de los cuidadores; la mayoría de la población que tiene ansiedad de moderada a severa utiliza estrategias desadaptativas enfocadas a la emoción.

  19. The Contribution of the Spanish Guardia Civil to the Peace and Stability Operations Within the Human Security Framework

    DTIC Science & Technology

    2010-03-08

    reglamentos/07 direct iva defensa nacional (accessed January 29, 2010) 18 Charles-Philippe David, Guerra y Paz : Enfoque contemporaneo sabre la seguridad...search.ebscohost.com/. David, Charles-Philippe. Guerra y Paz : Enfoque contemporimeo sabre la seguridad y.la estrategia. Barcelona: Icaria Editorial, 2008. Durch...1999.- U.N. Civilian Police component in Kosovo (UNMIK.) 2000.- Oficina del Programa de Irak (no es especificamente una misi6n de paz ) 2000.- Special

  20. [Enhancement of motor relearning and functional recovery in stroke patients: non-invasive strategies for modulating the central nervous system].

    PubMed

    Bravo-Esteban, Elisabeth; López-Larraz, Eduardo

    2016-03-16

    Introduccion. La mayoria de los pacientes que han sufrido un ictus no recuperan el estado funcional basal de la extremidad superior afecta y sufren una grave limitacion que permanece en la fase cronica de la enfermedad y que repercute de manera devastadora en su calidad de vida. Por ello, las estrategias de neurorrehabilitacion tratan de evitar o minimizar las posibles disfunciones sensitivomotoras asociadas al ictus mediante la promocion de cambios plasticos en el sistema nervioso central. Desarrollo. La reorganizacion cerebral que tiene lugar tras el ictus puede promover la recuperacion motora y funcional de los sujetos con ictus. No obstante, tras la lesion, tambien se pueden iniciar cambios neuroplasticos maladaptativos responsables del desarrollo de trastornos sensitivomotores, como el sindrome de espasticidad. Las estrategias no invasivas de estimulacion cerebral, como la estimulacion con corriente directa y la estimulacion magnetica transcraneal, son unas tecnicas ampliamente utilizadas que, aplicadas sobre la corteza motora primaria, pueden modificar la excitabilidad de los circuitos neuronales y las funciones cognitivas, tanto en las personas sanas como en los pacientes con afectacion neurologica. Asimismo, los sistemas de interfaces cerebro-maquina tambien son capaces de generar esa reorganizacion por medio de la asociacion contingente y simultanea entre la activacion cerebral y la estimulacion periferica. Conclusiones. Se evidencian los efectos positivos de las estrategias de neurorrehabilitacion citadas previamente en la potenciacion de la reorganizacion cortical despues del ictus, asi como en la paliacion de los efectos adversos asociados al desarrollo de la espasticidad.

  1. The graphics and data acquisition software package

    NASA Technical Reports Server (NTRS)

    Crosier, W. G.

    1981-01-01

    A software package was developed for use with micro and minicomputers, particularly the LSI-11/DPD-11 series. The package has a number of Fortran-callable subroutines which perform a variety of frequently needed tasks for biomedical applications. All routines are well documented, flexible, easy to use and modify, and require minimal programmer knowledge of peripheral hardware. The package is also economical of memory and CPU time. A single subroutine call can perform any one of the following functions: (1) plot an array of integer values from sampled A/D data, (2) plot an array of Y values versus an array of X values; (3) draw horizontal and/or vertical grid lines of selectable type; (4) annotate grid lines with user units; (5) get coordinates of user controlled crosshairs from the terminal for interactive graphics; (6) sample any analog channel with program selectable gain; (7) wait a specified time interval, and (8) perform random access I/O of one or more blocks of a sequential disk file. Several miscellaneous functions are also provided.

  2. Vertical vs Lateral Macrophase Separation in Thin Films of Block Copolymer Mixtures: Computer Simulations and GISAXS Experiments.

    PubMed

    Berezkin, Anatoly V; Jung, Florian; Posselt, Dorthe; Smilgies, Detlef M; Papadakis, Christine M

    2017-03-20

    Mixtures of two diblock copolymers of very different lengths may feature both macro- and microphase separation; however, not much is known about the mechanisms of separation in diblock copolymer thin films. In the present work, we study thin films of mixtures of two compositionally symmetric block copolymers, both in the one-phase and in the two-phase state, combining coarse-grained molecular simulations (dissipative particle dynamics, DPD) with scattering experiments (grazing-incidence small-angle X-ray scattering, GISAXS). We reveal that the film thickness and selective adsorption of different blocks to the substrate control the distribution of macrophases within the film as well as the orientation of the lamellae therein. In thick films, the mixtures separate in the vertical direction into three layers: Two layers being rich in short copolymers are formed near the film interfaces, whereas a layer being rich in long copolymers is located in the film core. The lamellar orientation in the layers rich in short copolymers is dictated by the surface selectivity, and this orientation only weakly affects the vertical orientation of lamellae in the film core. This provides the opportunity to control the domain orientation in the copolymer films by mixing block copolymers with low-molecular additives instead of relying on a more complicated chemical modification of the substrate. In thinner films, a lateral phase separation appears.

  3. Electrostatic Interactions in Dissipative Particle Dynamics: Toward a Mesoscale Modeling of the Polyelectrolyte Brushes.

    PubMed

    Ibergay, Cyrille; Malfreyt, Patrice; Tildesley, Dominic J

    2009-12-08

    We report mesoscopic simulations of bulk electrolytes and polyelectrolyte brushes using the dissipative particle dynamics (DPD) method. The calculation of the electrostatic interactions is carried out using both the Ewald summation method and the particle-particle particle-mesh technique with charges distributed over the particles. The local components of the pressure tensor are calculated using the Irving and Kirkwood, and the method of planes and mechanical equilibrium is demonstrated. The profiles of the normal component of the pressure tensor are shown to be similar for both the Ewald and particle-particle particle-mesh methods for a single polyelectrolyte brush. We show that the PPPM method with the MOP technique is the appropriate choice for simulations of this type. The mesoscale modeling of a strongly stretched polylectrolyte brush formed by strong charged polymer chains at a high grafting density shows that the polyelectrolyte follows the nonlinear osmotic regime, as expected from the calculation of the Gouy-Chapman length and the dimensionless Manning ratio.

  4. Receptor-mediated membrane adhesion of lipid-polymer hybrid (LPH) nanoparticles studied by dissipative particle dynamics simulations.

    PubMed

    Li, Zhenlong; Gorfe, Alemayehu A

    2015-01-14

    Lipid-polymer hybrid (LPH) nanoparticles represent a novel class of targeted drug delivery platforms that combine the advantages of liposomes and biodegradable polymeric nanoparticles. However, the molecular details of the interaction between LPHs and their target cell membranes remain poorly understood. We have investigated the receptor-mediated membrane adhesion process of a ligand-tethered LPH nanoparticle using extensive dissipative particle dynamics (DPD) simulations. We found that the spontaneous adhesion process follows a first-order kinetics characterized by two distinct stages: a rapid nanoparticle-membrane engagement, followed by a slow growth in the number of ligand-receptor pairs coupled with structural re-organization of both the nanoparticle and the membrane. The number of ligand-receptor pairs increases with the dynamic segregation of ligands and receptors toward the adhesion zone causing an out-of-plane deformation of the membrane. Moreover, the fluidity of the lipid shell allows for strong nanoparticle-membrane interactions to occur even when the ligand density is low. The LPH-membrane avidity is enhanced by the increased stability of each receptor-ligand pair due to the geometric confinement and the cooperative effect arising from multiple binding events. Thus, our results reveal the unique advantages of LPH nanoparticles as active cell-targeting nanocarriers and provide some general principles governing nanoparticle-cell interactions that may aid future design of LPHs with improved affinity and specificity for a given target of interest.

  5. First incremental buy for Increment 2 of the Space Transportation System (STS)

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Thiokol manufactured and delivered 9 flight motors to KSC on schedule. All test flights were successful. All spent SRMs were recovered. Design, development, manufacture, and delivery of required transportation, handling, and checkout equipment to MSFC and to KSC were completed on schedule. All items of data required by DPD 400 were prepared and delivered as directed. In the system requirements and analysis area, the point of departure from Buy 1 to the operational phase was developed in significant detail with a complete set of transition documentation available. The documentation prepared during the Buy 1 program was maintained and updated where required. The following flight support activities should be continued through other production programs: as-built materials usage tracking on all flight hardware; mass properties reporting for all flight hardware until sample size is large enough to verify that the weight limit requirements were met; ballistic predictions and postflight performance assessments for all production flights; and recovered SRM hardware inspection and anomaly identification. In the safety, reliability, and quality assurance area, activities accomplished were assurance oriented in nature and specifically formulated to prevent problems and hardware failures. The flight program to date has adequately demonstrated the success of this assurance approach. The attention focused on details of design, analysis, manufacture, and inspection to assure the production of high-quality hardware has resulted in the absence of flight failures. The few anomalies which did occur were evaluated, design or manufacturing changes incorporated, and corrective actions taken to preclude recurrence.

  6. Distal Embolic Protection for Renal Arterial Interventions

    SciTech Connect

    Dubel, Gregory J. Murphy, Timothy P.

    2008-01-15

    Distal or embolic protection has intuitive appeal for its potential to prevent embolization of materials generated during interventional procedures. Distal protection devices (DPDs) have been most widely used in the coronary and carotid vascular beds, where they have demonstrated the ability to trap embolic materials and, in some cases, to reduce complications. Given the frequency of chronic kidney disease in patients with renal artery stenosis undergoing stent placement, it is reasonable to propose that these devices may play an important role in limiting distal embolization in the renal vasculature. Careful review of the literature reveals that atheroembolization does occur during renal arterial interventions, although it often goes undetected. Early experience with DPDs in the renal arteries in patients with suitable anatomy suggests retrieval of embolic materials in approximately 71% of cases and renal functional improvement/stabilization in 98% of cases. The combination of platelet inhibition and a DPD may provide even greater benefit. Given the critical importance of renal functional preservation, it follows that everything that can be done to prevent atheroembolism should be undertaken including the use of DPDs when anatomically feasible. The data available at this time support a beneficial role for these devices.

  7. Mesoscopic Modeling of Blood Clotting: Coagulation Cascade and Platelets Adhesion

    NASA Astrophysics Data System (ADS)

    Yazdani, Alireza; Li, Zhen; Karniadakis, George

    2015-11-01

    The process of clot formation and growth at a site on a blood vessel wall involve a number of multi-scale simultaneous processes including: multiple chemical reactions in the coagulation cascade, species transport and flow. To model these processes we have incorporated advection-diffusion-reaction (ADR) of multiple species into an extended version of Dissipative Particle Dynamics (DPD) method which is considered as a coarse-grained Molecular Dynamics method. At the continuum level this is equivalent to the Navier-Stokes equation plus one advection-diffusion equation for each specie. The chemistry of clot formation is now understood to be determined by mechanisms involving reactions among many species in dilute solution, where reaction rate constants and species diffusion coefficients in plasma are known. The role of blood particulates, i.e. red cells and platelets, in the clotting process is studied by including them separately and together in the simulations. An agonist-induced platelet activation mechanism is presented, while platelets adhesive dynamics based on a stochastic bond formation/dissociation process is included in the model.

  8. Non-Markovian coarse-grained modeling of polymeric fluids based on the Mori-Zwanzig formalism

    NASA Astrophysics Data System (ADS)

    Li, Zhen; Bian, Xin; Li, Xiantao; Karniadakis, George

    The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces is often employed to simplify the formulation of coarse-grained (CG) models and numerical implementations. However, when the time scales of a system are not clearly separated, the memory effects become strong and the Markovian assumption becomes inaccurate. To this end, we incorporate memory effects into CG modeling by preserving non-Markovian interactions between CG variables based on the Mori-Zwanzig formalism. For a specific example, molecular dynamics (MD) simulations of star polymer melts are performed while the corresponding CG system is defined by grouping many bonded atoms into single clusters. Then, the effective interactions between CG clusters as well as the memory kernel are obtained from the MD simulations. The constructed CG force field with a memory kernel leads to a non-Markovian dissipative particle dynamics (NM-DPD). Quantitative comparisons on both static and dynamic properties between the CG models with Markovian and non-Markovian approximations will be presented. Supported by the DOE Center on Mathematics for Mesoscopic Modeling of Materials (CM4) and an INCITE grant.

  9. Reverse screening approach to identify potential anti-cancer targets of dipyridamole

    PubMed Central

    Ge, Shu-Min; Zhan, Dong-Ling; Zhang, Shu-Hua; Song, Li-Qiang; Han, Wei-Wei

    2016-01-01

    Dipyridamole (DIP) inhibits thrombus formation when given chronically, and causes vasodilation over a short time. To date, DIP can increase the anticancer drugs (5-fluorouracil, methotrexate, piperidine, vincristine) concentration in cancer cells and hence enhance the efficacy of treatment cancer. The inhibition of DIP may result in increased 5-fluorouracil efficacy and diminish the drug side effects. But the actual molecular targets remain unknown. In this study, reverse protein-ligands docking, and quantum mechanics were used to search for the potential molecular targets of DIP. The quantum mechanics calculation was performed by using Gaussian 03 program package. Reverse pharmacophore mapping was used to search for potential molecular target candidates for a given small molecule. The docking study was used for exploring the potential anti-cancer targets of dipyridamole. The two predicted binders with the statistically significant prediction are dihydropyrimidine dehydrogenase (DPD) (PDB Id: 1GTE) and human spindle checkpoint kinase Bub1 (PDB Id: 3E7E). Structure analysis suggests that electrostatic interaction and hydrogen bonding play an important role in their binding process. The strong functional linkage of DIP and 5FU supports our prediction. In conclusion, these results generate a tractable set of anticancer proteins. The exploration of polypharmacology will provide us new opportunities in treating systematic diseases, such as the cancers. The results would generate a tractable set of anticancer target proteins for future experimental validations. PMID:28077994

  10. Harnessing fluid-driven vesicles to pick up and drop off Janus particles.

    PubMed

    Salib, Isaac; Yong, Xin; Crabb, Emily J; Moellers, Nicholas M; McFarlin, Gerald T; Kuksenok, Olga; Balazs, Anna C

    2013-02-26

    Using dissipative particle dynamics (DPD) simulations, we model the interaction between nanoscopic lipid vesicles and Janus nanoparticles in the presence of an imposed flow. Both the vesicle and Janus nanoparticles are localized on a hydrophilic substrate and immersed in a hydrophilic solution. The fluid-driven vesicle successfully picks up Janus particles on the substrate and transports these particles as cargo along the surface. The vesicle can carry up to four particles as its payload. Hence, the vesicles can act as nanoscopic "vacuum cleaners", collecting nanoscopic debris localized on the floors of the fluidic devices. Importantly, these studies reveal how an imposed flow can facilitate the incorporation of nanoparticles into nanoscale vesicles. With the introduction of a "sticky" domain on the substrate, the vesicles can also robustly drop off and deposit the particles on the surface. The controlled pickup and delivery of nanoparticles via lipid vesicles can play an important step in the bottom-up assembly of these nanoparticles within small-scale fluidic devices.

  11. Comparison of large-angle production of charged pions with incident protons on cylindrical long and short targets

    SciTech Connect

    Apollonio, M.; Chimenti, P.; Giannini, G.; Artamonov, A.; Giani, S.; Gilardoni, S.; Gorbunov, P.; Grant, A.; Grossheim, A.; Ivanchenko, A.; Ivanchenko, V.; Kayis-Topaksu, A.; Panman, J.; Papadopoulos, I.; Tcherniaev, E.; Tsukerman, I.; Wiebusch, C.; Zucchelli, P.; Bagulya, A.; Grichine, V.

    2009-12-15

    The HARP Collaboration has presented measurements of the double-differential {pi}{sup {+-}} production cross section in the range of momentum 100 MeV/c{<=}p{<=}800 MeV/c and angle 0.35 rad{<=}{theta}{<=}2.15 rad with proton beams hitting thin nuclear targets. In many applications the extrapolation to long targets is necessary. In this article the analysis of data taken with long (one interaction length) solid cylindrical targets made of carbon, tantalum, and lead is presented. The data were taken with the large-acceptance HARP detector in the T9 beam line of the CERN proton synchrotron. The secondary pions were produced by beams of protons with momenta of 5, 8, and 12GeV/c. The tracking and identification of the produced particles were performed using a small-radius cylindrical time projection chamber placed inside a solenoidal magnet. Incident protons were identified by an elaborate system of beam detectors. Results are obtained for the double-differential yields per target nucleon d{sup 2}{sigma}/dpd{theta}. The measurements are compared with predictions of the MARS and GEANT4 Monte Carlo simulations.

  12. Measurements of forward proton production with incident protons and charged pions on nuclear targets at the CERN Proton Synchrotron

    SciTech Connect

    Apollonio, M.; Chimenti, P.; Giannini, G.; Artamonov, A.; Giani, S.; Gilardoni, S.; Gorbunov, P.; Grant, A.; Grossheim, A.; Ivanchenko, A.; Ivanchenko, V.; Kayis-Topaksu, A.; Panman, J.; Papadopoulos, I.; Tcherniaev, E.; Tsukerman, I.; Wiebusch, C.; Zucchelli, P.; Bagulya, A.; Grichine, V.

    2010-10-15

    Measurements of the double-differential proton production cross-section d{sup 2{sigma}}/dpd{Omega} in the range of momentum 0.5 GeV/c{<=}p<8.0 GeV/c and angle 0.05 rad{<=}{theta}<0.25 rad in collisions of charged pions and protons on beryllium, carbon, aluminium, copper, tin, tantalum, and lead are presented. The data were taken with the large acceptance HARP detector in the T9 beam line of the CERN Proton Synchrotron. Incident particles were identified by an elaborate system of beam detectors and impinged on a target of 5% of a nuclear interaction length. The tracking and identification of the produced particles was performed using the forward spectrometer of the HARP experiment. Results are obtained for the double-differential cross-sections mainly at four incident beam momenta (3,5,8, and 12 GeV/c). Measurements are compared with predictions of the geant4 and mars Monte Carlo generators.

  13. Evaluation of new oxidation methods for the measurement of bilirubin on the aeroset clinical chemistry analyzer and comparison with methods on the Hitachi 717.

    PubMed

    Sturm, Ernhard; Albrecht-Groos, Ragnhild; Seyfarth, Michael

    2002-01-01

    We evaluated analytical and performance quality of the new oxidation methods for direct and total bilirubin on the Abbott Aeroset clinical chemistry analyzer. Within-day imprecisions for Abbott Aeroset assays ranged from 0.7 to 2.9% and between-day imprecisions from 2.1 to 7.3%. Inaccuracies as compared with the control "target values" for the Jendrassik-Gróf method showed deviations of -18.2 to +4.2%. Limits of detection were determined and showed very low values of < or = 0.25 micromol/l and dilution linearities were confirmed up to > 300 micromol/l. A method comparison for 100 patient samples with established Jendrassik-Gróf and DPD methods on the Roche Hitachi 717 showed good linearities between the investigated methods (r > or = 0.995). Due to slopes that ranged from 0.829 to 0.950, reference ranges for the oxidation methods differ slightly from those of established Roche Jendrassik-Gróf methods, but results can be adapted by the introduction of converting factors. In conclusion, the oxidation bilirubin assays revealed convincing analytical and performance qualities for medical needs that were similar or even better than for established methods. Application of the oxidation methods on the Aeroset clinical chemistry analyzer also improves laboratory efficiency by increasing throughput, speed of obtaining results and lowered sample and reagent volumes compared to established methods.

  14. Performance of mesoscale modeling methods for predicting microstructure, mobility and rheology of charged suspensions.

    SciTech Connect

    Pierce, Flint; Grillet, Anne Mary; Grest, Gary Stephen; Lechman, Jeremy B.; Plimpton, Steven James; in't Veld, Pieter J.; Schunk, Peter Randall; Heine, D. R.; Stoltz, C.; Weiss, Horst; Jendrejack, R.; Petersen, Matthew K.

    2010-06-01

    In this presentation we examine the accuracy and performance of a suite of discrete-element-modeling approaches to predicting equilibrium and dynamic rheological properties of polystyrene suspensions. What distinguishes each approach presented is the methodology of handling the solvent hydrodynamics. Specifically, we compare stochastic rotation dynamics (SRD), fast lubrication dynamics (FLD) and dissipative particle dynamics (DPD). Method-to-method comparisons are made as well as comparisons with experimental data. Quantities examined are equilibrium structure properties (e.g. pair-distribution function), equilibrium dynamic properties (e.g. short- and long-time diffusivities), and dynamic response (e.g. steady shear viscosity). In all approaches we deploy the DLVO potential for colloid-colloid interactions. Comparisons are made over a range of volume fractions and salt concentrations. Our results reveal the utility of such methods for long-time diffusivity prediction can be dubious in certain ranges of volume fraction, and other discoveries regarding the best formulation to use in predicting rheological response.

  15. Comparison of commercial analytical techniques for measuring chlorine dioxide in urban desalinated drinking water.

    PubMed

    Ammar, T A; Abid, K Y; El-Bindary, A A; El-Sonbati, A Z

    2015-12-01

    Most drinking water industries are closely examining options to maintain a certain level of disinfectant residual through the entire distribution system. Chlorine dioxide is one of the promising disinfectants that is usually used as a secondary disinfectant, whereas the selection of the proper monitoring analytical technique to ensure disinfection and regulatory compliance has been debated within the industry. This research endeavored to objectively compare the performance of commercially available analytical techniques used for chlorine dioxide measurements (namely, chronoamperometry, DPD (N,N-diethyl-p-phenylenediamine), Lissamine Green B (LGB WET) and amperometric titration), to determine the superior technique. The commonly available commercial analytical techniques were evaluated over a wide range of chlorine dioxide concentrations. In reference to pre-defined criteria, the superior analytical technique was determined. To discern the effectiveness of such superior technique, various factors, such as sample temperature, high ionic strength, and other interferences that might influence the performance were examined. Among the four techniques, chronoamperometry technique indicates a significant level of accuracy and precision. Furthermore, the various influencing factors studied did not diminish the technique's performance where it was fairly adequate in all matrices. This study is a step towards proper disinfection monitoring and it confidently assists engineers with chlorine dioxide disinfection system planning and management.

  16. Role of labile iron in the toxicity of pharmacological ascorbate.

    PubMed

    Du, Juan; Wagner, Brett A; Buettner, Garry R; Cullen, Joseph J

    2015-07-01

    Pharmacological ascorbate has been shown to induce toxicity in a wide range of cancer cell lines. Pharmacological ascorbate in animal models has shown promise for use in cancer treatment. At pharmacological concentrations the oxidation of ascorbate produces a high flux of H2O2 via the formation of ascorbate radical (Asc(•-)). The rate of oxidation of ascorbate is principally a function of the level of catalytically active metals. Iron in cell culture media contributes significantly to the rate of H2O2 generation. We hypothesized that increasing intracellular iron would enhance ascorbate-induced cytotoxicity and that iron chelators could modulate the catalytic efficiency with respect to ascorbate oxidation. Treatment of cells with the iron-chelators deferoxamine (DFO) or dipyridyl (DPD) in the presence of 2mM ascorbate decreased the flux of H2O2 generated by pharmacological ascorbate and reversed ascorbate-induced toxicity. Conversely, increasing the level of intracellular iron by preincubating cells with Fe-hydroxyquinoline (HQ) increased ascorbate toxicity and decreased clonogenic survival. These findings indicate that redox metal metals, e.g., Fe(3+)/Fe(2+), have an important role in ascorbate-induced cytotoxicity. Approaches that increase catalytic iron could potentially enhance the cytotoxicity of pharmacological ascorbate in vivo.

  17. Quorum Sensing Involved in the Spoilage Process of the Skin and Flesh of Vacuum-Packaged Farmed Turbot (Scophthalmus maximus) Stored at 4 °C.

    PubMed

    Zhang, Caili; Zhu, Suqin; Wu, Haohao; Jatt, Abdul-Nabi; Pan, Yurong; Zeng, Mingyong

    2016-10-03

    Fish skin has both positive and negative effects on the shelf-life of the fish. This study aimed to investigate the spoilage process of the skin and flesh of refrigerated farmed turbot (Scophthalmus maximus) with vacuum packaging. Microbial community changes were analyzed by combining culture-dependent and culture-independent methods. The results indicated that the shelf-life of vacuum-packaged refrigerated turbot was 16 d; skin mucus was the interference factor of turbot quality. The culture-dependent analysis demonstrated that the total viable counts and the population of H2 S-producing bacteria, Pseudomonas spp., Enterobacteriaceae spp., and lactic acid bacteria in skin had a range of 0.45 to 1.40 log (CFU/g) higher than the microbial numbers in flesh after 16 d in storage. 16S high throughout sequencing results demonstrated that the compositions of spoilage microbes were similar in skin and flesh. Shewanella spp., followed by Carnobacterium spp., was the dominant spoilage organism at day 16. Quorum sensing (QS) signaling activity increased during the storage. Exogenous N-butanoyl-L-homoserinelactone(C4-HSL) and N-hexanoyl-Lhomoserine lactone (C6-HSL) significantly accelerated the spoilage process of refrigerated turbot, while the addition of 4, 5-Dihydroxypentane-2, 3-dione (DPD) prolonged the lag phase duration. Therefore, QS may be involved in the spoilage process of refrigerated turbot.

  18. A LED-based fiber-optic sensor integrated with lab-on-valve manifold for colorimetric determination of free chlorine in water.

    PubMed

    Xiong, Yan; Tan, Jun; Fang, Shenwen; Wang, Chengjie; Wang, Qing; Wu, Jiayi; Chen, Jie; Duan, Ming

    2017-05-15

    In this work, a colorimetric methodology was developed for free chlorine determination by constructing a fiber-optic sensor (FOS) which was designed by using a small LED as light source and two silica fibers as light transmission elements. Then the FOS was integrated with the sequential injection lab-on-valve (SI-LOV) manifold to fabricate a FOS-SI-LOV system for free chlorine detection. The colorimetric determination was based on the reaction between N,N-diethyl-p-phenylenediamine (DPD) reagent and free chlorine, which would produce a chromophore showing maximum absorbance at 511 and 551nm and detected by a micro spectrometer detector. By choosing a green LED with emission wavelength at 520nm as light source, the chlorine concentration could be simply evaluated according to Beer's law. The developed FOS-SI-LOV system showed improved performances of wide linear range (10-400μgL(-1)), low detection limit (3.5μgL(-1), 3σ), fast analysis (6.85s) and excellent repeatability (0.0083 RSD, n=8) for chlorine determination. The proposed FOS-SI-LOV system has been applied to on-line and real-time chlorine determination in different water samples with excellent selectivity. Furthermore, this FOS-SI-LOV methodology provided a colorimetric and fluorescence detection platform for other hazardous species monitoring in water environment based on Beer's law and Stern-Volmer relationship, respectively.

  19. Autoinducer-2 Plays a Crucial Role in Gut Colonization and Probiotic Functionality of Bifidobacterium breve UCC2003

    PubMed Central

    Bottacini, Francesca; Lanigan, Noreen; Casey, Pat G.; Huys, Geert; Nelis, Hans J.; van Sinderen, Douwe; Coenye, Tom

    2014-01-01

    In the present study we show that luxS of Bifidobacterium breve UCC2003 is involved in the production of the interspecies signaling molecule autoinducer-2 (AI-2), and that this gene is essential for gastrointestinal colonization of a murine host, while it is also involved in providing protection against Salmonella infection in Caenorhabditis elegans. We demonstrate that a B. breve luxS-insertion mutant is significantly more susceptible to iron chelators than the WT strain and that this sensitivity can be partially reverted in the presence of the AI-2 precursor DPD. Furthermore, we show that several genes of an iron starvation-induced gene cluster, which are downregulated in the luxS-insertion mutant and which encodes a presumed iron-uptake system, are transcriptionally upregulated under in vivo conditions. Mutation of two genes of this cluster in B. breve UCC2003 renders the derived mutant strains sensitive to iron chelators while deficient in their ability to confer gut pathogen protection to Salmonella-infected nematodes. Since a functional luxS gene is present in all tested members of the genus Bifidobacterium, we conclude that bifidobacteria operate a LuxS-mediated system for gut colonization and pathogen protection that is correlated with iron acquisition. PMID:24871429

  20. Survey and Merging of Sunspot Catalogs

    NASA Astrophysics Data System (ADS)

    Lefevre, Laure; Clette, Frédéric

    2014-02-01

    In view of the construction of new sunspot-based activity indices and proxies, we conducted a comprehensive survey of all existing catalogs providing detailed parameters of photospheric features over long time intervals. Although there are a fair number of such catalogs, a global evaluation showed that they suffer from multiple limitations: finite or fragmented time coverage, limited temporal overlap between catalogs, and, more importantly, a mismatch in contents and conventions. Starting from the existing material, we demonstrate how the information from parallel catalogs can be merged to form a much more comprehensive record of sunspots and sunspot groups. To do this, we use the uniquely detailed Debrecen Photoheliographic Data (DPD), which is already a composite of several ground-based observatories and of SOHO data, and the USAF/Mount Wilson catalog from the Solar Observing Optical Network (SOON). We also outline our cross-identification method, which was needed to match the non-overlapping solar active-region nomenclature. This proved to be the most critical and subtle step when working with multiple catalogs. This effort, focused here first on the last two solar cycles, should lead to a better central database that collects all available sunspot group parameters to address future solar-cycle studies beyond the traditional sunspot-index time series [ R i].

  1. Continuous flow analysis of labile iron in ice-cores.

    PubMed

    Hiscock, William T; Fischer, Hubertus; Bigler, Matthias; Gfeller, Gideon; Leuenberger, Daiana; Mini, Olivia

    2013-05-07

    The important active and passive role of mineral dust aerosol in the climate and the global carbon cycle over the last glacial/interglacial cycles has been recognized. However, little data on the most important aeolian dust-derived biological micronutrient, iron (Fe), has so far been available from ice-cores from Greenland or Antarctica. Furthermore, Fe deposition reconstructions derived from the palaeoproxies particulate dust and calcium differ significantly from the Fe flux data available. The ability to measure high temporal resolution Fe data in polar ice-cores is crucial for the study of the timing and magnitude of relationships between geochemical events and biological responses in the open ocean. This work adapts an existing flow injection analysis (FIA) methodology for low-level trace Fe determinations with an existing glaciochemical analysis system, continuous flow analysis (CFA) of ice-cores. Fe-induced oxidation of N,N'-dimethyl-p-pheylenediamine (DPD) is used to quantify the biologically more important and easily leachable Fe fraction released in a controlled digestion step at pH ~1.0. The developed method was successfully applied to the determination of labile Fe in ice-core samples collected from the Antarctic Byrd ice-core and the Greenland Ice-Core Project (GRIP) ice-core.

  2. Continuous flow analysis method for determination of soluble iron and aluminium in ice cores.

    PubMed

    Spolaor, A; Vallelonga, P; Gabrieli, J; Roman, M; Barbante, C

    2013-01-01

    Iron and aluminium are the two most abundant metals on the Earth's crust, but they display quite different biogeochemical properties. While iron is essential to many biological processes, aluminium has not been found to have any biological function at all. In environmental studies, iron has been studied in detail for its limiting role in the bioproductivity of high nutrient, low carbon oceanic zones, while aluminium is routinely used as a reference of crustal contributions to atmospheric deposition archives including peat bogs, lacustrine and marine sediments and ice sheets and glaciers. We report here the development of a flow injection analysis technique, which has been optimised for the simultaneous determination of soluble iron and aluminium in polar ice cores. Iron was determined by its catalytic role in the reduction of N,N-dimethyl-p-phenylenediamene (DPD) to a semiquinonic form (DPDQ) and subsequent absorption spectroscopy at 514 nm. Aluminium was determined by spectroscopic analysis of an aluminium-lumogallion complex that exhibits fluorescence at 560 nm. These techniques have been applied to a section of Greenland ice dated to 1729-1733 AD and indicate that volcanism is a source of highly soluble aluminium and iron.

  3. Measurement of K+ production cross section by 8 GeV protons using high-energy neutrino interactions in the SciBooNE detector

    NASA Astrophysics Data System (ADS)

    Cheng, G.; Mariani, C.; Alcaraz-Aunion, J. L.; Brice, S. J.; Bugel, L.; Catala-Perez, J.; Conrad, J. M.; Djurcic, Z.; Dore, U.; Finley, D. A.; Franke, A. J.; Giganti, C.; Gomez-Cadenas, J. J.; Guzowski, P.; Hanson, A.; Hayato, Y.; Hiraide, K.; Jover-Manas, G.; Karagiorgi, G.; Katori, T.; Kobayashi, Y. K.; Kobilarcik, T.; Kubo, H.; Kurimoto, Y.; Louis, W. C.; Loverre, P. F.; Ludovici, L.; Mahn, K. B. M.; Masuike, S.; Matsuoka, K.; McGary, V. T.; Metcalf, W.; Mills, G. B.; Mitsuka, G.; Miyachi, Y.; Mizugashira, S.; Moore, C. D.; Nakajima, Y.; Nakaya, T.; Napora, R.; Nienaber, P.; Orme, D.; Otani, M.; Russell, A. D.; Sanchez, F.; Shaevitz, M. H.; Shibata, T.-A.; Sorel, M.; Stefanski, R. J.; Takei, H.; Tanaka, H.-K.; Tanaka, M.; Tayloe, R.; Taylor, I. J.; Tesarek, R. J.; Uchida, Y.; van de Water, R.; Walding, J. J.; Wascko, M. O.; White, H. B.; Yokoyama, M.; Zeller, G. P.; Zimmerman, E. D.

    2011-07-01

    The SciBooNE Collaboration reports K+ production cross section and rate measurements using high-energy daughter muon neutrino scattering data off the SciBar polystyrene (C8H8) target in the SciBooNE detector. The K+ mesons are produced by 8 GeV protons striking a beryllium target in Fermilab Booster Neutrino Beam line (BNB). Using observed neutrino and antineutrino events in SciBooNE, we measure (d2σ)/(dpdΩ)=(5.34±0.76)mb/(GeV/c×sr) for p+Be→K++X at mean K+ energy of 3.9 GeV and angle (with respect to the proton beam direction) of 3.7 degrees, corresponding to the selected K+ sample. Compared to Monte Carlo predictions using previous higher energy K+ production measurements, this measurement, which uses the NUANCE neutrino interaction generator, is consistent with a normalization factor of 0.85±0.12. This agreement is evidence that the extrapolation of the higher energy K+ measurements to an 8 GeV beam energy using Feynman scaling is valid. This measurement reduces the error on the K+ production cross section from 40% to 14%.

  4. The effects of shear and particle shape on the physical adsorption of polyvinyl pyrrolidone on carbon nanoparticles

    NASA Astrophysics Data System (ADS)

    Vo, Minh D.; Papavassiliou, Dimitrios V.

    2016-08-01

    The effects of shear and particle shape on the physical adsorption of a polymer (polyvinyl pyrrolidone, PVP) on carbon nanoparticles (CNPs) were studied with dissipative particle dynamics (DPD) methods. It was found that the conformation of the polymer during adsorption and desorption from the nanoparticle can be classified into three possible types, i.e. adsorbed, shear-affected and separated, depending on the magnitude of the shear rate in the flow. Spherical and graphene sheet-shaped particles with adsorbed PVP were manipulated in a Couette flow to determine the threshold shear rates leading to changes in the polymer adsorption state. It was found that the polymer was stably adsorbed under higher shear conditions for graphene sheets. In addition, the end-to-end distance and the radius of gyration of the polymer adsorbate was clearly related to the adsorption state, as the polymer underwent a transition from adsorbed to the separated state when the shear rate increased. The critical shear rate at which the polymer desorbed from the surface could be useful in applications where nanoparticles can be used as a molecular delivery system. The physical adsorption and desorption of the same polymer molecules on a flat surface were also investigated. The desorption of the polymer from the flat surface occurred when the shearing force was stronger than the attraction between the PVP and the surface.

  5. Dissipative particle dynamics simulation on the rheological properties of heavy crude oil

    NASA Astrophysics Data System (ADS)

    Wang, Sibo; Xu, Junbo; Wen, Hao

    2015-11-01

    The rheological properties of heavy crude oil have a significant impact on the production, refining and transportation. In this paper, dissipative particle dynamics (DPD) simulations were performed to study the effects of the addition of light crude oil and emulsification on the rheological properties of heavy crude oil. The simulation results reflected that the addition of light crude oil reduced the viscosity effectively. The shear thinning behaviour of crude oil mixtures were becoming less distinct as the increase of the mass fraction of light crude oil. According to the statistics, the shear had an influence on the aggregation and spatial orientation of asphaltene molecules. In addition, the relationship between the viscosity and the oil mass fraction was investigated in the simulations of emulsion systems. The viscosity increased with the oil mass fraction slowly in oil-in-water emulsions. When the oil mass fraction was higher than 50%, the increase became much faster since systems had been converted into water-in-oil emulsions. The equilibrated morphologies of emulsion systems were shown to illustrate the phase inversion. The surfactant-like feature of asphaltenes was also studied in the simulations.

  6. Designing a gel-fiber composite to extract nanoparticles from solution

    NASA Astrophysics Data System (ADS)

    Liu, Ya; Kuksenok, Olga; Balazs, Anna

    Using DPD simulations, we proposed the design of a gel-fiber coating where the components of the system act in concert to extract particles from solution and localize these solids in the underlying gel layer. We model an array of flexible fibers that are embedded in a lower critical solution temperature (LCST) thermo-responsive gel, which swells at lower temperatures and collapses at higher temperatures. The system is immersed in a solution containing dispersed nanoparticles and this fluid is driven to flow by an imposed shear. When the gel is heated, it collapses to expose the fibers, and thereby, triggers the ``catch'' process. Namely, the fibers can act like ``arms'' that wrap around the nanoparticle and bring it from the outer solvent into the gel layer. Moreover, we show that depending on the flexibility and hydrophobicity of the fibers, as well as the imposed shear, we can position the nanoparticles at the desired height within the gel layer. Our approach can be utilized for the detection and separation of components in fluids and for the controlled insertion of nanoparticles within a hydrogel at a particular distance from the gel interface

  7. Simulating the Rayleigh-Taylor instability in polymer fluids with dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Li, Yanggui; Geng, Xingguo; Zhuang, Xin; Wang, Lihua; Ouyang, Jie

    2016-04-01

    The Rayleigh-Taylor (RT) instability that occurs in the flow of polymer fluids is numerically investigated with dissipative particle dynamics (DPD) method at the mesoscale particle level. For modeling two-phase flow, the Flory-Huggins parameter is introduced to model binary fluids. And the polymer chains in fluids are described by the modified FENE model that depicts both the elastic tension and the elastic repulsion between the adjacent beads with bond length as the equilibrium length of one segment. Besides, a bead repulsive potential is employed to capture entanglements between polymer chains. Through our model and numerical simulation, we research the dynamics behaviors of the RT instability in polymer fluid medium. Furthermore, we also explore the effects of polymer volume concentration, chain length, and extensibility on the evolution of RT instability. These simulation results show that increasing any of the parameters, concentration, chain length, and extensibility, the saturation length of spikes becomes longer, and the two polymer fluids have less mixture. On the contrary, for the case of low concentration, or short chain, or small extensibility, the spikes easily split and break up, and the RT instability pattern evolves into chaotic structure. These observations indicate that the polymer and its properties drastically modify the RT instability pattern.

  8. Behavior of a nano-particle and a polymer molecule in a nano-scale four-roll mill

    NASA Astrophysics Data System (ADS)

    Vo, Minh; Papavassiliou, Dimitrios

    2016-11-01

    The four-roll mill device could be used to create a mixed flow from purely extensional stresses to completely rotational through the proper selection of speed and direction of each of the four cylindrical rollers. Considerable research has been done with this device for macroscale rheological studies.. In our study, the dissipative particle dynamics (DPD) method was employed to investigate the behavior of a nano-sphere and a polymer molecule in different conditions within a four-roll mill device. Hydrophilic properties of each roll were generated by adjusting interaction parameters and using bounce back boundary condition at the solid surface. All simulations were run up to 4x106 time steps at room temperature using the open source LAMMPS package. After the flow in the system reached equilibrium, a nano-sphere and then a polymer chain were released at the center of the simulation box. Their trajectories were recorded at different shear rate conditions. The propagation of nanosphere in different rotational flow will be discussed. Additionally, the deformation of polymer chains will be compared to that in a simple shear flow.

  9. Effect of short range hydrodynamic on bimodal colloidal gel systems

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Jamali, Safa; Maia, Joao

    2015-03-01

    Colloidal Gels and disordered arrested systems has been studied extensively during the past decades. Although, they have found their place in multiple industries such as cosmetic, food and so on, their physical principals are still far beyond being understood. The interplay between different types of interactions from quantum scale, Van der Waals interaction, to short range interactions, depletion interaction, and long range interactions such as electrostatic double layer makes this systems challenging from simulation point of view. Many authors have implemented different simulation techniques such as molecular dynamics (MD) and Brownian dynamics (BD) to capture better picture during phase separation of colloidal system with short range attractive force. However, BD is not capable to include multi-body hydrodynamic interaction and MD is limited by the computational resources and is limited to short time and length scales. In this presentation we used Core-modified dissipative particle dynamics (CM-DPD) with modified depletion potential, as a coarse-grain model, to address the gel formation process in short ranged-attractive colloidal suspensions. Due to the possibility to include and separate short and long ranged-hydrodynamic forces in this method we studied the effect of each of those forces on the final morphology and report one of the controversial question in this field on the effect of hydrodynamics on the cluster formation process on bimodal, soft-hard colloidal mixtures.

  10. Dissipative particle dynamics incorporating non-Markovian effect

    NASA Astrophysics Data System (ADS)

    Kinefuchi, Ikuya; Yoshimoto, Yuta; Takagi, Shu

    2015-11-01

    The coarse-graining methodology of molecular simulations is of great importance to analyze large-scale, complex hydrodynamic phenomena. In the present study, we derive the equation of motion for non-Markovian dissipative particle dynamics (NMDPD) by introducing the history effects on the time evolution of the system. Our formulation is based on the generalized Langevin equation, which describes the motions of the centers of mass of clusters comprising microscopic particles. The mean, friction, and fluctuating forces in the NMDPD model are directly constructed from an underlying MD system without any scaling procedure. For the validation of our formulation, we construct NMDPD models from high-density Lennard-Jones systems, in which the typical time scales of the coarse-grained particle motions and the fluctuating forces are not fully separable. The NMDPD models reproduce the temperatures, diffusion coefficients, and viscosities of the corresponding MD systems more accurately than the conventional DPD models based on a Markovian approximation. Our results suggest that the NMDPD method is a promising alternative for simulating mesoscale flows where a Markovian approximation is not valid.

  11. Non-equilibrium tuning of attractive colloidal gels

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Maia, Joao

    2015-11-01

    In colloidal gel systems, the presence of multiple interactions in multiple length scales such as Van der Waals, depletion attractions, and electrostatic repulsions makes these systems challenging from both experimental and simulation aspects. Recently, there has been growing interest to tune and manipulate the structural and dynamics properties of those systems without adjusting interparticle interactions, just by taking them out of equilibrium. In this work, we used Core-Modified Dissipative Particle Dynamics (CM-DPD) with a modified depletion potential, as a coarse-grain model to address the gel formation process in short ranged-attractive colloidal suspensions for a range of volume fractions and attraction strengths. It is suggested that at high volume fractions and near the glass transition, there is a transformation from non-bonded glass to bonded-glass for which that the effect of topological frustration (caging) will be alleviated by the presence of attractive potentials (bonding) i.e. melting during cooling. In the first part of the presentation, we discuss our similar findings for semi-dilute volume fraction of attractive bimodal colloidal gels at equilibrium, which can be explained through local densification of attractive colloidal gels. In the second part, structural and dynamics properties of arrested gels will be studied under shear and after cessation of shear to study how the different flow profiles and history will alter final morphology of the gel systems.

  12. Random Sampling of Quantum States: a Survey of Methods. And Some Issues Regarding the Overparametrized Method

    NASA Astrophysics Data System (ADS)

    Maziero, Jonas

    2015-12-01

    The numerical generation of random quantum states (RQS) is an important procedure for investigations in quantum information science. Here, we review some methods that may be used for performing that task. We start by presenting a simple procedure for generating random state vectors, for which the main tool is the random sampling of unbiased discrete probability distributions (DPD). Afterwards, the creation of random density matrices is addressed. In this context, we first present the standard method, which consists in using the spectral decomposition of a quantum state for getting RQS from random DPDs and random unitary matrices. In the sequence, the Bloch vector parametrization method is described. This approach, despite being useful in several instances, is not in general convenient for RQS generation. In the last part of the article, we regard the overparametrized method (OPM) and the related Ginibre and Bures techniques. The OPM can be used to create random positive semidefinite matrices with unit trace from randomly produced general complex matrices in a simple way that is friendly for numerical implementations. We consider a physically relevant issue related to the possible domains that may be used for the real and imaginary parts of the elements of such general complex matrices. Subsequently, a too fast concentration of measure in the quantum state space that appears in this parametrization is noticed.

  13. Blood Flow: Multi-scale Modeling and Visualization (July 2011)

    SciTech Connect

    2011-01-01

    Multi-scale modeling of arterial blood flow can shed light on the interaction between events happening at micro- and meso-scales (i.e., adhesion of red blood cells to the arterial wall, clot formation) and at macro-scales (i.e., change in flow patterns due to the clot). Coupled numerical simulations of such multi-scale flow require state-of-the-art computers and algorithms, along with techniques for multi-scale visualizations. This animation presents early results of two studies used in the development of a multi-scale visualization methodology. The fisrt illustrates a flow of healthy (red) and diseased (blue) blood cells with a Dissipative Particle Dynamics (DPD) method. Each blood cell is represented by a mesh, small spheres show a sub-set of particles representing the blood plasma, while instantaneous streamlines and slices represent the ensemble average velocity. In the second we investigate the process of thrombus (blood clot) formation, which may be responsible for the rupture of aneurysms, by concentrating on the platelet blood cells, observing as they aggregate on the wall of an aneruysm. Simulation was performed on Kraken at the National Institute for Computational Sciences. Visualization was produced using resources of the Argonne Leadership Computing Facility at Argonne National Laboratory.

  14. Organic/Organic Heterointerface Engineering to Boost Carrier Injection in OLEDs

    NASA Astrophysics Data System (ADS)

    Fathollahi, Mohammadreza; Ameri, Mohsen; Mohajerani, Ezeddin; Mehrparvar, Ebrahim; Babaei, Mohammadrasoul

    2017-02-01

    We investigate dynamic formation of nanosheet charge accumulations by heterointerface engineering in double injection layer (DIL) based organic light emitting diodes (OLEDs). Our experimental results show that the device performance is considerably improved for the DIL device as the result of heterointerface injection layer (HIIL) formation, in comparison to reference devices, namely, the current density is doubled and even quadrupled and the turn-on voltage is favorably halved, to 3.7 V, which is promising for simple small-molecule OLEDs. The simulation reveals the (i) formation of dynamic p-type doping (DPD) region which treats the quasi Fermi level at the organic/electrode interface, and (ii) formation of dynamic dipole layer (DDL) and the associated electric field at the organic/organic interface which accelerates the ejection of the carriers and their transference to the successive layer. HIIL formation proposes alternate scenarios for device design. For instance, no prerequisite for plasma treatment of transparent anode electrode, our freedom in varying the thicknesses of the organic layers between 10 nm and 60 nm for the first layer and between 6 nm and 24 nm for the second layer. The implications of the present work give insight into the dynamic phenomena in OLEDs and facilitates the development of their inexpensive fabrication for lighting applications.

  15. Production of mono- and bimetallic nanoparticles of noble metals by pyrolysis of organic extracts on silicon dioxide

    NASA Astrophysics Data System (ADS)

    Serga, V.; Kulikova, L.; Cvetkov, A.; Krumina, A.; Kodols, M.; Chornaja, S.; Dubencovs, K.; Sproge, E.

    2013-12-01

    In the present work the influence of the tri-n-octylammonium (Oct3NH+) salt anion (PtCl62-, PdCl42-, AuCl4-) nature on the phase composition and mean size of crystallites of the extract pyrolysis products on the SiO2 nanopowder has been studied. The XRD phase analysis of the composites (metal loading 2.4 wt.%) made under the same conditions, at the pyrolysis of Pt- and Au-containing extracts has shown the formation of nanoparticles of Pt (dPt = 15 nm) and Au (dAu = 33 nm), respectively. The end-product of the pyrolysis of the Pd-containing extract has an admixture phase of PdO along with the main metal phase (dPd = 21 nm). At the preparation of bimetallic particles (Pt-Pd, Pt-Au, Pd-Au) on the SiO2 nanopowder it has been found that the nanoparticles of the PtPd alloy, Pt and Au or Pd and Au nanoparticles are the products of the thermal decomposition of two-component mixtures of extracts. The investigation of catalytic properties of the produced composites in the reaction of glycerol oxidation by molecular oxygen in alkaline aqueous solutions has shown that all bimetallic composites exhibit catalytic activity in contrast to monometallic ones.

  16. Quorum sensing in group A Streptococcus

    PubMed Central

    Jimenez, Juan Cristobal; Federle, Michael J.

    2014-01-01

    Quorum sensing (QS) is a widespread phenomenon in the microbial world that has important implications in the coordination of population-wide responses in several bacterial pathogens. In Group A Streptococcus (GAS), many questions surrounding QS systems remain to be solved pertaining to their function and their contribution to the GAS lifestyle in the host. The QS systems of GAS described to date can be categorized into four groups: regulator gene of glucosyltransferase (Rgg), Sil, lantibiotic systems, and LuxS/AI-2. The Rgg family of proteins, a conserved group of transcription factors that modify their activity in response to signaling peptides, has been shown to regulate genes involved in virulence, biofilm formation and competence. The sil locus, whose expression is regulated by the activity of signaling peptides and a putative two-component system (TCS), has been implicated on regulating genes involved with invasive disease in GAS isolates. Lantibiotic regulatory systems are involved in the production of bacteriocins and their autoregulation, and some of these genes have been shown to target both bacterial organisms as well as processes of survival inside the infected host. Finally AI-2 (dihydroxy pentanedione, DPD), synthesized by the LuxS enzyme in several bacteria including GAS, has been proposed to be a universal bacterial communication molecule. In this review we discuss the mechanisms of these four systems, the putative functions of their targets, and pose critical questions for future studies. PMID:25309879

  17. Understanding Longitudinal Wood Fiber Ultra-structure for Producing Cellulose Nanofibrils Using Disk Milling with Diluted Acid Prehydrolysis.

    PubMed

    Qin, Yanlin; Qiu, Xueqing; Zhu, J Y

    2016-10-31

    Here we used dilute oxalic acid to pretreat a kraft bleached Eucalyptus pulp (BEP) fibers to facilitate mechanical fibrillation in producing cellulose nanofibrils using disk milling with substantial mechanical energy savings. We successfully applied a reaction kinetics based combined hydrolysis factor (CHFX) as a severity factor to quantitatively control xylan dissolution and BEP fibril deploymerization. More importantly, we were able to accurately predict the degree of polymerization (DP) of disk-milled fibrils using CHFX and milling time or milling energy consumption. Experimentally determined ratio of fibril DP and number mean fibril height (diameter d), DP/d, an aspect ratio measurer, were independent of the processing conditions. Therefore, we hypothesize that cellulose have a longitudinal hierarchical structure as in the lateral direction. Acid hydrolysis and milling did not substantially cut the "natural" chain length of cellulose fibrils. This cellulose longitudinal hierarchical model provides support for using weak acid hydrolysis in the production of cellulose nanofibrils with substantially reduced energy input without negatively affecting fibril mechanical strength.

  18. Endocytosis of PEGylated nanoparticles accompanied by structural and free energy changes of the grafted polyethylene glycol.

    PubMed

    Li, Ying; Kröger, Martin; Liu, Wing Kam

    2014-10-01

    Nanoparticles (NPs) are in use to efficiently deliver drug molecules into diseased cells. The surfaces of NPs are usually grafted with polyethylene glycol (PEG) polymers, during so-called PEGylation, to improve water solubility, avoid aggregation, and prevent opsonization during blood circulation. The interplay between grafting density σp and grafted PEG polymerization degree N makes cellular uptake of PEGylated NPs distinct from that of bare NPs. To understand the role played by grafted PEG polymers, we study the endocytosis of 8 nm sized PEGylated NPs with different σp and N through large scale dissipative particle dynamics (DPD) simulations. The free energy change Fpolymer of grafted PEG polymers, before and after endocytosis, is identified to have an effect which is comparable to, or even larger than, the bending energy of the membrane during endocytosis. Based on self-consistent field theory Fpolymer is found to be dependent on both σp and N. By incorporating Fpolymer, the critical ligand-receptor binding strength for PEGylated NPs to be internalized can be correctly predicted by a simple analytical equation. Without considering Fpolymer, it turns out impossible to predict whether the PEGylated NPs will be delivered into the diseased cells. These simulation results and theoretical analysis not only provide new insights into the endocytosis process of PEGylated NPs, but also shed light on the underlying physical mechanisms, which can be utilized for designing efficient PEGylated NP-based therapeutic carriers with improved cellular targeting and uptake.

  19. Investigation of temperature dependence of semiconductor detectors used in medicine for radiation measurements

    NASA Astrophysics Data System (ADS)

    Ozleyis Altunkok, Simay; Tuncel, Nina; Ucar, Nazim

    2015-07-01

    In this study, the temperature dependence of p-type semiconductor diodes that are a part of in-vivo dosimetry system was assessed in Co-60 photon energy. The collimator and gantry angle on zero degree, SSD 100 cm, field size 20x20 cm2 was selected. The IBA EDP-5, EDP-10 and EDP-20 diode types that included in this study have different thickness of build-up material so the depth of measurements at water equivalent phantom by FC65-p ion chamber was selected at 5, 10 and 20 mm. Along the process the room and phantom temperature was measured and recorded (19°C). The special water filled PMMA phantom was used for diode set-up on its surface and a thermometer for determine phantom temperature was employed. Each type of diodes irradiated separately for one minute and the signal to dose sensitivity and calibration was performed at room temperature (19°C) by OmniPro-InViDos software with DPD-12 electrometer. Examination was repeated from 33°C to 20°C temperatures. The temperature correction factors were found from slope of the linear drawings for each diode types. The obtained correction factor for EDP-5 and EDP-10 was 0.29 %°C/cGy and 0.30 %°C/cGy respectively, that higher than recommended factor (%0.25°C/cGy). While the more fluctuation for EDP-20 was realized.

  20. Polymer-mediated nanorod self-assembly predicted by dissipative particle dynamics simulations.

    PubMed

    Khani, Shaghayegh; Jamali, Safa; Boromand, Arman; Hore, Michael J A; Maia, Joao

    2015-09-14

    Self-assembly of nanoparticles in polymer matrices is an interesting and growing subject in the field of nanoscience and technology. We report herein on modelling studies of the self-assembly and phase behavior of nanorods in a homopolymer matrix, with the specific goal of evaluating the role of deterministic entropic and enthalpic factors that control the aggregation/dispersion in such systems. Grafting polymer brushes from the nanorods is one approach to control/impact their self-assembly capabilities within a polymer matrix. From an energetic point of view, miscible interactions between the brush and the matrix are required for achieving a better dispersibility; however, grafting density and brush length are the two important parameters in dictating the morphology. Unlike in previous computational studies, the present Dissipative Particle Dynamics (DPD) simulation framework is able to both predict dispersion or aggregation of nanorods and determine the self-assembled structure, allowing for the determination of a phase diagram, which takes all of these factors into account. Three types of morphologies are predicted: dispersion, aggregation and partial aggregation. Moreover, favorable enthalpic interactions between the brush and the matrix are found to be essential for expanding the window for achieving a well-dispersed morphology. A three-dimensional phase diagram is mapped on which all the afore-mentioned parameters are taken into account. Additionally, in the case of immiscibility between brushes and the matrix, simulations predict the formation of some new and tunable structures.