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Sample records for newly predicted metallic

  1. Predicted metal binding sites for phytoremediation.

    Science.gov (United States)

    Sharma, Ashok; Roy, Sudeep; Tripathi, Kumar Parijat; Roy, Pratibha; Mishra, Manoj; Khan, Feroz; Meena, Abha

    2009-09-05

    Metal ion binding domains are found in proteins that mediate transport, buffering or detoxification of metal ions. The objective of the study is to design and analyze metal binding motifs against the genes involved in phytoremediation. This is being done on the basis of certain pre-requisite amino-acid residues known to bind metal ions/metal complexes in medicinal and aromatic plants (MAP's). Earlier work on MAP's have shown that heavy metals accumulated by aromatic and medicinal plants do not appear in the essential oil and that some of these species are able to grow in metal contaminated sites. A pattern search against the UniProtKB/Swiss-Prot and UniProtKB/TrEMBL databases yielded true positives in each case showing the high specificity of the motifs designed for the ions of nickel, lead, molybdenum, manganese, cadmium, zinc, iron, cobalt and xenobiotic compounds. Motifs were also studied against PDB structures. Results of the study suggested the presence of binding sites on the surface of protein molecules involved. PDB structures of proteins were finally predicted for the binding sites functionality in their respective phytoremediation usage. This was further validated through CASTp server to study its physico-chemical properties. Bioinformatics implications would help in designing strategy for developing transgenic plants with increased metal binding capacity. These metal binding factors can be used to restrict metal update by plants. This helps in reducing the possibility of metal movement into the food chain.

  2. Metallicity gradients and newly created star-forming systems in interacting galaxies

    Science.gov (United States)

    Mendes de Oliveira, Claudia L.

    2015-08-01

    Interactions play an extremely important role in the evolution of galaxies, changing their morphologies and kinematics. Galaxy collisions may result in the formation of intergalactic star-forming objects, such as HII regions, young clusters and/or tidal dwarf galaxies. Several studies have found a wealth of newly created objects in interacting systems. We will exemplify the problems and challenges in this field and will describe observations of the interacting group NGC 6845, which contains four bright galaxies, two of which have extended tidal tails. We obtained Gemini/GMOS spectra for 28 of the regions located in the galaxies and in the tails. All regions in the latter are star-forming objects according to their line ratios, with ages younger than 10 Myr. A super luminous star forming complex is found in the brightest member of the group, NGC 6845A. Its luminosity reveals a star formation density of 0.19 solar masses, per year, per kpc^2, suggesting that this object is a localized starburst. We derived the gas-phase metallicity gradients across NGC 6845A and its two tails and we find that these are shallower than those for isolated galaxies. We speculate that the observed metallicity gradient may be related to one or more of the following mechanisms: (1) interaction induced inflow of fresh gas to the galaxy center, as seen in simulations, which is expected to dilute the metallicity of the central burst, (2) the formation of young metal-rich star forming regions in the tidal tails, which were born out of enriched gas expelled from the central regions of the system during the interaction and (3) the incremental growth of metals accumulated over time, due to the successful generations of star forming regions along the tails. Finally we will describe our plans to do a search for such objects on Halpha images that will soon be available for 17.5k degrees of the sky, with the A-PLUS survey.

  3. Predicting the toxicity of metal mixtures.

    Science.gov (United States)

    Balistrieri, Laurie S; Mebane, Christopher A

    2014-01-01

    The toxicity of single and multiple metal (Cd, Cu, Pb, and Zn) solutions to trout is predicted using an approach that combines calculations of: (1) solution speciation; (2) competition and accumulation of cations (H, Ca, Mg, Na, Cd, Cu, Pb, and Zn) on low abundance, high affinity and high abundance, low affinity biotic ligand sites; (3) a toxicity function that accounts for accumulation and potency of individual toxicants; and (4) biological response. The approach is evaluated by examining water composition from single metal toxicity tests of trout at 50% mortality, results of theoretical calculations of metal accumulation on fish gills and associated mortality for single, binary, ternary, and quaternary metal solutions, and predictions for a field site impacted by acid rock drainage. These evaluations indicate that toxicity of metal mixtures depends on the relative affinity and potency of toxicants for a given aquatic organism, suites of metals in the mixture, dissolved metal concentrations and ratios, and background solution composition (temperature, pH, and concentrations of major ions and dissolved organic carbon). A composite function that incorporates solution composition, affinity and competition of cations for two types of biotic ligand sites, and potencies of hydrogen and individual metals is proposed as a tool to evaluate potential toxicity of environmental solutions to trout.

  4. Newly observed $B(5970)$ and the predictions of its spin and strange partners

    CERN Document Server

    Xu, Hao; Matsuki, Takayuki

    2014-01-01

    Using the effective Lagrangian approach, we study the decay behavior of the newly observed $B(5970)$ meson, which is assigned as the $2^3S_1$ state in the $B$ meson family. What is more important is that we predict the information of the partial and total decay decay widths of $B(2^1S_0)$, $B_s(2^1S_0)$ and $B_s(2^3S_1)$ as the spin and strange partners of $B(5970)$, which is valuable to future experimental search for these missing states.

  5. Microstructural evolution and castability prediction in newly designed modern third-generation nickel-based superalloys

    Science.gov (United States)

    Naffakh-Moosavy, Homam

    2016-05-01

    The present research aims to establish a quantitative relation between microstructure and chemical composition (i.e., Ti, Al, and Nb) of newly designed nickel-based superalloys. This research attempts to identify an optimum microstructure at which the minimum quantities of γ/γ' and γ/γ″ compounds are achieved and the best castability is predicted. The results demonstrate that the highest quantity of intermetallic eutectics (i.e., 41.5wt%) is formed at 9.8wt% (Ti + Al). A significant quantity of intermetallics formed in superalloy 1 (with a composition of γ - 9.8wt% (Ti + Al)), which can deteriorate its castability. The type and morphology of the eutectics changed and the amount considerably decreased with decreasing Ti + Al content in superalloy 2 (with a composition of γ - 7.6wt% (Ti + Al), 1.5wt% Nb). Thus, it is predicted that the castability would improve for superalloy 2. The same trend was observed for superalloy 4 (with a composition of γ - 3.7wt% (Ti + Al), 4.4wt% Nb). This means that the amount of Laves increases with increasing Nb (to 4.4wt%) and decreasing Ti + Al (to 3.7wt%) in superalloy 4. The best castability was predicted for superalloy 3 (with a composition of γ - 5.7wt% (Ti + Al), 2.8wt% Nb).

  6. Failure Prediction in Bulk Metal Forming Process

    Directory of Open Access Journals (Sweden)

    Ameen Topa

    2014-01-01

    Full Text Available An important concern in metal forming is whether the desired deformation can be accomplished without defects in the final product. Various ductile fracture criteria have been developed and experimentally verified for a limited number of cases of metal forming processes. These criteria are highly dependent on the geometry of the workpiece and cannot be utilized for complicated shapes without experimental verification. However, experimental work is a resource hungry process. This paper proposes the ability of finite element analysis (FEA software such as LS-DYNA to pinpoint the crack-like flaws in bulk metal forming products. Two different approaches named as arbitrary Lagrangian-Eulerian (ALE and smooth particle hydrodynamics (SPH formulations were adopted. The results of the simulations agree well with the experimental work and a comparison between the two formulations has been carried out. Both approximation methods successfully predicted the flow of workpiece material (plastic deformation. However ALE method was able to pinpoint the location of the flaws.

  7. Predicted metal binding sites for phytoremediation

    OpenAIRE

    Sharma, Ashok; Roy, Sudeep; Tripathi, Kumar Parijat; Roy, Pratibha; Mishra, Manoj; Khan, Feroz; Meena, Abha

    2009-01-01

    Metal ion binding domains are found in proteins that mediate transport, buffering or detoxification of metal ions. The objective of the study is to design and analyze metal binding motifs against the genes involved in phytoremediation. This is being done on the basis of certain pre-requisite amino-acid residues known to bind metal ions/metal complexes in medicinal and aromatic plants (MAP's). Earlier work on MAP's have shown that heavy metals accumulated by aromatic and medicinal plants do no...

  8. High IFIT1 expression predicts improved clinical outcome, and IFIT1 along with MGMT more accurately predicts prognosis in newly diagnosed glioblastoma.

    Science.gov (United States)

    Zhang, Jin-Feng; Chen, Yao; Lin, Guo-Shi; Zhang, Jian-Dong; Tang, Wen-Long; Huang, Jian-Huang; Chen, Jin-Shou; Wang, Xing-Fu; Lin, Zhi-Xiong

    2016-06-01

    Interferon-induced protein with tetratricopeptide repeat 1 (IFIT1) plays a key role in growth suppression and apoptosis promotion in cancer cells. Interferon was reported to induce the expression of IFIT1 and inhibit the expression of O-6-methylguanine-DNA methyltransferase (MGMT).This study aimed to investigate the expression of IFIT1, the correlation between IFIT1 and MGMT, and their impact on the clinical outcome in newly diagnosed glioblastoma. The expression of IFIT1 and MGMT and their correlation were investigated in the tumor tissues from 70 patients with newly diagnosed glioblastoma. The effects on progression-free survival and overall survival were evaluated. Of 70 cases, 57 (81.4%) tissue samples showed high expression of IFIT1 by immunostaining. The χ(2) test indicated that the expression of IFIT1 and MGMT was negatively correlated (r = -0.288, P = .016). Univariate and multivariate analyses confirmed high IFIT1 expression as a favorable prognostic indicator for progression-free survival (P = .005 and .017) and overall survival (P = .001 and .001), respectively. Patients with 2 favorable factors (high IFIT1 and low MGMT) had an improved prognosis as compared with others. The results demonstrated significantly increased expression of IFIT1 in newly diagnosed glioblastoma tissue. The negative correlation between IFIT1 and MGMT expression may be triggered by interferon. High IFIT1 can be a predictive biomarker of favorable clinical outcome, and IFIT1 along with MGMT more accurately predicts prognosis in newly diagnosed glioblastoma.

  9. Synthesis of Zeolite from Fly Ash and Removal of Heavy Metal Ions from Newly Synthesized Zeolite

    Directory of Open Access Journals (Sweden)

    Parag Solanki

    2010-01-01

    Full Text Available Coal fly ash was used to synthesize X-type zeolite by alkali fusion followed by hydrothermal treatment. Characteristics of the various Fly ash samples were carried out. Coal proximate analysis was done. Batch experiment was carried out for the adsorption of some heavy metal ions on to synthesized Zeolite. The cost of synthesized zeolite was estimated to be almost one-fifth of that of commercial 13X zeolite available in the market.

  10. Synthesis of Zeolite from Fly Ash and Removal of Heavy Metal Ions from Newly Synthesized Zeolite

    OpenAIRE

    Parag Solanki; Vikal Gupta; Ruchi Kulshrestha

    2010-01-01

    Coal fly ash was used to synthesize X-type zeolite by alkali fusion followed by hydrothermal treatment. Characteristics of the various Fly ash samples were carried out. Coal proximate analysis was done. Batch experiment was carried out for the adsorption of some heavy metal ions on to synthesized Zeolite. The cost of synthesized zeolite was estimated to be almost one-fifth of that of commercial 13X zeolite available in the market.

  11. Predicting formation enthalpies of metal hydrides

    DEFF Research Database (Denmark)

    Andreasen, A.

    2004-01-01

    In order for the hydrogen based society viz. a society in which hydrogen is the primary energy carrier to become realizable an efficient way of storing hydrogen is required. For this purpose metal hydrides are serious candidates. Metal hydrides are formedby chemical reaction between hydrogen...... and metal and for the stable hydrides this is associated with release of heat (#DELTA#H_f ). The more thermodynamically stable the hydride, the larger DHf, and the higher temperature is needed in order to desorphydrogen (reverse reaction) and vice versa. For practical application the temperature needed...

  12. Cadmium detoxification strategies in two phytoplankton species: Metal binding by newly synthesized thiolated peptides and metal sequestration in granules

    Energy Technology Data Exchange (ETDEWEB)

    Lavoie, Michel; Le Faucheur, Severine [Institut National de la Recherche Scientifique-Eau, Terre et Environnement (INRS-ETE), 490 de la Couronne, G1K 9A9 Quebec (Canada); Fortin, Claude [Institut National de la Recherche Scientifique-Eau, Terre et Environnement (INRS-ETE), 490 de la Couronne, G1K 9A9 Quebec (Canada)], E-mail: fortincl@ete.inrs.ca; Campbell, Peter G.C. [Institut National de la Recherche Scientifique-Eau, Terre et Environnement (INRS-ETE), 490 de la Couronne, G1K 9A9 Quebec (Canada)

    2009-04-09

    The aim of this study was to evaluate whether intracellular detoxification mechanisms could explain, at least partially, the different sensitivity to Cd of two freshwater green algae, Chlamydomonas reinhardtii and Pseudokirchneriella subcapitata. Subcellular Cd distribution and the synthesis of metal-binding thiolated peptides were thus examined in both algae exposed to a range of free [Cd{sup 2+}] from 0.7 to 253 nM. Cadmium partitioning among five subcellular fractions (cellular debris, granules, organelles, heat-denaturable proteins - HDP, and heat-stable proteins - HSP) was determined after differential centrifugation of algal homogenates. Thiolated-peptides, phytochelatins (PC{sub n}) and precursors, were analyzed by HPLC with pre-column monobromobimane derivatization. Cadmium accumulation per cell was 2-4 times greater for C. reinhardtii than for P. subcapitata, yet C. reinhardtii was more resistant to Cd with an EC{sub 50} of 273 nM Cd{sup 2+} [244-333 nM Cd{sup 2+} CI{sub 95%}]) compared to 127 nM Cd{sup 2+} [111-143 nM Cd{sup 2+} CI{sub 95%}] for P. subcapitata. Although [Cd] generally increased in the organelle fractions when free [Cd{sup 2+}] increased in the experimental media, their relative contributions to the total Cd cellular content decreased, suggesting that partial protection of some metal sensitive sites was achieved by the initiation of cellular detoxification mechanisms. An increase in the proportion of Cd in the granules fraction was observed for C. reinhardtii between 6 and 15 nM Cd{sup 2+} (i.e., at [Cd{sup 2+}] < the threshold for growth inhibition) suggesting the involvement of granules in protecting against the occurrence of toxic effects in C. reinhardtii. Both species also produced also high levels of PC{sub n}, but with longer oligomers for C. reinhardtii. Unknown thiolated compounds (X{sub n}), which were not canonical or hydroxymethyl PC{sub n}, were also found in both algae but at much higher concentrations for C. reinhardtii than

  13. Hypoadiponectinemia predicts impaired endothelium-independent vasodilation in newly diagnosed type 2 diabetic patients: an 8-year prospective study

    Institute of Scientific and Technical Information of China (English)

    LI Hui; XIAO Yang; LIU Hui; CHEN Xiao-yan; LI Xin-ying; TANG Wei-li; LIU Shi-ping; XU Ai-min; ZHOU Zhi-guang

    2011-01-01

    Background Adiponectin is an adipokine with insulin-sensitising and anti-atherogenic properties.The aim of this study was to investigate whether low adiponectin levels predict the impairment of endothelial function in newly diagnosed type 2 diabetic patients in an 8-year prospective study.Methods In the prospective study,we enrolled 133 newly diagnosed type 2 diabetic patients without subclinical atherosclerosis and gave them intensive therapy; the mean treatment period was 8 years.Intensive treatment was a stepwise implementation of behavior modification and pharmacological therapy targeting hyperglycaemia,hypertension,dyslipidaemia and obesity.We measured baseline circulating adiponectin with an enzyme-linked immunosorbent assay,endothelium-dependent and -independent vasodilation by high-resolution vascular ultrasound.At year 8,102 patients were reexamined for endothelium-dependent and -independent vasodilation.Results Sex-adjusted adiponectin level was positively correlated with endothelium-independent vasodilation both at baseline (r=0.150,P=0.043) and at year 8 (r=0.339,P=0.001),whereas no association was found between adiponectin and endothelium-dependent vasodilation.In a stepwise multivariate linear regression model,adiponectin was an independent predictor for impaired endothelium-independent vasodilation at year 8 (P=0.001).Conclusions Plasma adiponectin concentration was associated with endothelium-independent vasodilation and hypoadiponectinemia predicted the impairment of endothelium-independent vasodilation in newly diagnosed type 2 diabetic patients under multifactorial intervention.These data support the causative link of impairment of endothelium-independent vasodilation with hypoadiponectinemia.

  14. Antiobesity, antioxidant and cytotoxicity activities of newly synthesized chalcone derivatives and their metal complexes.

    Science.gov (United States)

    El Sayed Aly, Mohamed Ramadan; Abd El Razek Fodah, Hamadah Hamadah; Saleh, Sherif Yousef

    2014-04-09

    Four sets of rationally designed chalcones were prepared for evaluation of their antiobesity, antioxidant and cytotoxicity activities. These sets include nine oleoyl chalcones as mimics of oleoyl estrone, three monohydroxy chalcones (chalcone ligands), Schiff base-derived chalcones and four copper as well as zinc complexes. Oleoyl chalcones 4d, 4e and particularly 6a as an isosteric isomer of oleoyl estrone, were as active as Orlistat on weight loss and related metabolic parameters using male SD rats in vivo. Chalcone ligands 10a-c and Schiff base-derived chalcones 11 and 14a,b were weakly antioxidants, while, the copper and zinc complexes 15a-d were good antioxidants with zinc chelates 15b,d being more active than their copper analogues 15a,cin vitro. Compounds 10c and 14a showed good cytotoxicity activities as Doxorubicin against PC3 cancer cell line in vitro, while, the copper complex 15c showed promising activity with IC₅₀ value of 5.95 μM. The estimated IC₅₀ value for Doxorubicin was 8.7 μM. Chalcones 14a,b are bifunctional probes for potential investigations in cancer diagnosis and radiotherapy by complexation with Gd(3+) or metal radioisotopes followed by posttranslation of Shiga toxin B-subunits that target globotriosyl ceramide expressing cancer cells.

  15. PCTFPeval: a web tool for benchmarking newly developed algorithms for predicting cooperative transcription factor pairs in yeast.

    Science.gov (United States)

    Lai, Fu-Jou; Chang, Hong-Tsun; Wu, Wei-Sheng

    2015-01-01

    Computational identification of cooperative transcription factor (TF) pairs helps understand the combinatorial regulation of gene expression in eukaryotic cells. Many advanced algorithms have been proposed to predict cooperative TF pairs in yeast. However, it is still difficult to conduct a comprehensive and objective performance comparison of different algorithms because of lacking sufficient performance indices and adequate overall performance scores. To solve this problem, in our previous study (published in BMC Systems Biology 2014), we adopted/proposed eight performance indices and designed two overall performance scores to compare the performance of 14 existing algorithms for predicting cooperative TF pairs in yeast. Most importantly, our performance comparison framework can be applied to comprehensively and objectively evaluate the performance of a newly developed algorithm. However, to use our framework, researchers have to put a lot of effort to construct it first. To save researchers time and effort, here we develop a web tool to implement our performance comparison framework, featuring fast data processing, a comprehensive performance comparison and an easy-to-use web interface. The developed tool is called PCTFPeval (Predicted Cooperative TF Pair evaluator), written in PHP and Python programming languages. The friendly web interface allows users to input a list of predicted cooperative TF pairs from their algorithm and select (i) the compared algorithms among the 15 existing algorithms, (ii) the performance indices among the eight existing indices, and (iii) the overall performance scores from two possible choices. The comprehensive performance comparison results are then generated in tens of seconds and shown as both bar charts and tables. The original comparison results of each compared algorithm and each selected performance index can be downloaded as text files for further analyses. Allowing users to select eight existing performance indices and 15

  16. Predictive cartography of metal binders using generative topographic mapping

    Science.gov (United States)

    Baskin, Igor I.; Solov'ev, Vitaly P.; Bagatur'yants, Alexander A.; Varnek, Alexandre

    2017-08-01

    Generative topographic mapping (GTM) approach is used to visualize the chemical space of organic molecules (L) with respect to binding a wide range of 41 different metal cations (M) and also to build predictive models for stability constants (log K) of 1:1 (M:L) complexes using "density maps," "activity landscapes," and "selectivity landscapes" techniques. A two-dimensional map describing the entire set of 2962 metal binders reveals the selectivity and promiscuity zones with respect to individual metals or groups of metals with similar chemical properties (lanthanides, transition metals, etc). The GTM-based global (for entire set) and local (for selected subsets) models demonstrate a good predictive performance in the cross-validation procedure. It is also shown that the data likelihood could be used as a definition of the applicability domain of GTM-based models. Thus, the GTM approach represents an efficient tool for the predictive cartography of metal binders, which can both visualize their chemical space and predict the affinity profile of metals for new ligands.

  17. Predicting treatment failure, death and drug resistance using a computed risk score among newly diagnosed TB patients in Tamaulipas, Mexico.

    Science.gov (United States)

    Abdelbary, B E; Garcia-Viveros, M; Ramirez-Oropesa, H; Rahbar, M H; Restrepo, B I

    2017-09-14

    The purpose of this study was to develop a method for identifying newly diagnosed tuberculosis (TB) patients at risk for TB adverse events in Tamaulipas, Mexico. Surveillance data between 2006 and 2013 (8431 subjects) was used to develop risk scores based on predictive modelling. The final models revealed that TB patients failing their treatment regimen were more likely to have at most a primary school education, multi-drug resistance (MDR)-TB, and few to moderate bacilli on acid-fast bacilli smear. TB patients who died were more likely to be older males with MDR-TB, HIV, malnutrition, and reporting excessive alcohol use. Modified risk scores were developed with strong predictability for treatment failure and death (c-statistic 0·65 and 0·70, respectively), and moderate predictability for drug resistance (c-statistic 0·57). Among TB patients with diabetes, risk scores showed moderate predictability for death (c-statistic 0·68). Our findings suggest that in the clinical setting, the use of our risk scores for TB treatment failure or death will help identify these individuals for tailored management to prevent these adverse events. In contrast, the available variables in the TB surveillance dataset are not robust predictors of drug resistance, indicating the need for prompt testing at time of diagnosis.

  18. Biopartitioning micellar chromatography as a predictive tool for skin and corneal permeability of newly synthesized 17β-carboxamide steroids.

    Science.gov (United States)

    Dobričić, Vladimir; Nikolic, Katarina; Vladimirov, Sote; Čudina, Olivera

    2014-06-02

    In this paper, human skin and corneal permeability of twenty-two newly synthesized 17β-carboxamide steroids was predicted using biopartitioning micellar chromatography (BMC). These compounds are potential soft glucocorticoids with local anti-inflammatory activity when applied to the skin or eye. BMC systems are used to simulate physicochemical properties of human skin (BMC-skin) and cornea (BMC-cornea). Micellar mobile phase, consisted of 0.04 M solution of polyoxyethylene (23) lauryl ether (Brij 35), was prepared at different pH values - 5.50 (BMC-skin) and 7.50 (BMC-cornea). Retention factors (k), obtained by use of BMC, were calculated for all newly synthesized 17β-carboxamide steroids as well as for parent glucocorticoids (hydrocortisone, prednisolone, methylprednisolone, dexamethasone and betamethasone). Good correlation was obtained between BMC-skin retention factors and permeability coefficients calculated by use of the artificial membrane that simulates stratum corneum of the human skin. Quantitative structure-retention relationship (QSRR) study was performed in order to explain retention factors of these compounds in the tested BMC systems. ANN-QSRR(k), PLS-QSRR(k) and MLR-QSRR(k) models, created by use of BMC-skin retention data, were compared and optimal model (PLS-QSRR(k)) was selected. Molecular descriptors of the selected model indicate that lipophilicity and number of short C-C fragments of tested compounds have the strongest influence on the retention in the BMC-skin system and presumably on their in vivo permeability through human skin. The same model can be applied to the BMC-cornea system and the same conclusion can be drawn for corneal permeability. This model could be used as a predictive tool for the synthesis of novel 17β-carboxamide steroids with desirable permeability through human skin or cornea, depending on their potential pharmacological application.

  19. Feasibility, Acceptability, and Predictive Validity of a Psychosocial Screening Program for Children and Youth Newly Diagnosed With Type 1 Diabetes

    Science.gov (United States)

    Schwartz, David D.; Cline, Virginia Depp; Axelrad, Marni E.; Anderson, Barbara J.

    2011-01-01

    OBJECTIVE Psychosocial screening has been recommended for pediatric patients with newly diagnosed type 1 diabetes and their families. Our objective was to assess a psychosocial screening protocol in its feasibility, acceptability to families, and ability to predict early emerging complications, nonadherent family behavior, and use of preventive psychology services. RESEARCH DESIGN AND METHODS A total of 125 patients and their caregivers were asked to participate in a standardized screening interview after admission at a large urban children’s hospital with a new diagnosis of type 1 diabetes. Medical records were reviewed for subsequent diabetes-related emergency department (ED) admissions, missed diabetes clinic appointments, and psychology follow-up within 9 months of diagnosis. RESULTS Of 125 families, 121 (96.8%) agreed to participate in the screening, and a subsample of 30 surveyed caregivers indicated high levels of satisfaction. Risk factors at diagnosis predicted subsequent ED admissions with a sensitivity of 100% and a specificity of 98.6%. Children from single-parent households with a history of behavior problems were nearly six times more likely to be seen in the ED after diagnosis. Missed appointments were likeliest among African Americans, 65% of whom missed at least one diabetes-related appointment. Psychology services for preventive intervention were underutilized, despite the high acceptability of the psychosocial screening. CONCLUSIONS Psychosocial screening of newly diagnosed patients with type 1 diabetes is feasible, acceptable to families, and able to identify families at risk for early emerging complications and nonadherence. Challenges remain with regards to reimbursement and fostering follow-up for preventive care. PMID:21216856

  20. Prediction study of the elastic and thermodynamic properties of the newly discovered tetragonal SrPd 2Ge 2 phase

    Science.gov (United States)

    Ghebouli, M. A.; Bouhemadou, A.; Ghebouli, B.; Fatmi, M.; Bin-Omran, S.

    2011-07-01

    Density functional theory pseudo-potential plane-wave calculations are performed in order to predict the structural, elastic and thermodynamic properties of the newly discovered tetragonal intermetallic SrPd 2Ge 2. The computed equilibrium lattice constants and the internal parameter are in good agreement with the experimental findings. The effect of high pressure, up to 40 GPa, on the lattice constants shows that the contraction along the c axis is higher than along the a axis. The single-crystal elastic constants and related properties are calculated using the static finite strain technique. We predicted the bulk modulus, shear modulus, Young's modulus and Poisson's ratio for ideal polycrystalline SrPd 2Ge 2 aggregates, using the Voigt-Reuss-Hill approximations. We estimated the Debye temperature and minimum thermal conductivity of SrPd 2Ge 2 from the average sound velocity. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the temperature and pressure effects on the primitive cell volume, bulk modulus, thermal expansion coefficient, heat capacity and Debye temperature are investigated. This is the first quantitative theoretical prediction of the elastic and thermodynamic properties of the SrPd 2Ge 2 compound, and it still awaits experimental confirmation.

  1. Predicting weekly variation of Culex tarsalis (Diptera: Culicidae) West Nile virus infection in a newly endemic region, the Canadian prairies.

    Science.gov (United States)

    Chen, Chen-Chih; Epp, Tasha; Jenkins, Emily; Waldner, Cheryl; Curry, Philip S; Soos, Catherine

    2012-09-01

    West Nile virus (WNV) spread across most of North America within a short time period after its incursion into the Western Hemisphere. The Canadian prairies had the highest human incidence of WNV disease in Canada, particularly in 2007. Statistical modeling and geographic information systems can be used to develop a predictive model and facilitate the mobilization of targeted disease management strategies. Using data collected between 2005 and 2008, we constructed models integrating abiotic and biotic factors to predict the WNV infection rate in female Culex tarsalis Coquillett, the primary vector of WNV in the Canadian prairies. During the study period, the highest mean Cx. tarsalis infection rate was during week 34 (late August). The Cx. tarsalis infection rate increased with increasing Cx. tarsalis abundance and mean temperature lagged from 1 to 8 wk, but decreased with increasing mean precipitation lagged from 2 to 6 wk. Furthermore, precipitation was a 'distorter variable' that altered the association between Cx. tarsalis abundance and the WNV infection rate. Our model clarified how weather influenced the Cx. tarsalis infection rate in the Canadian prairies, a newly and highly WNV endemic region of North America. An understanding of the role of lagged weather variables was essential for providing sufficient lead time to predict WNV occurrence, and for implementing disease control and prevention strategies. Furthermore, it is a useful tool for assessing the potential effects of future climate change on WNV in areas near its northern distributional limit.

  2. Predictive value of T2 relative signal intensity for response to somatostatin analogs in newly diagnosed acromegaly

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Ming; Zhang, Qilin [Fudan University, Department of Neurosurgery, Huashan Hospital, Shanghai Medical College, Shanghai (China); Shanghai Pituitary Tumor Center, Shanghai (China); Liu, Wenjuan; Li, Yiming; Zhang, Zhaoyun; Ye, Hongying; He, Min; Lu, Bin; Yang, Yeping [Shanghai Pituitary Tumor Center, Shanghai (China); Fudan University, Department of Endocrinology and Metabolism, Huashan Hospital, Shanghai Medical College, Shanghai (China); Wang, Meng [Fudan University, Department of Endocrinology and Metabolism, Huashan Hospital, Shanghai Medical College, Shanghai (China); Soochow University, Division of Endocrinology, the Second Affiliated Hospital, Suzhou (China); Zhu, Jingjing [Shanghai Pituitary Tumor Center, Shanghai (China); Fudan University, Department of Neuropathology, Huashan Hospital, Shanghai Medical College, Shanghai (China); Ma, Zengyi; He, Wenqiang; Li, Shiqi; Shou, Xuefei; Qiao, Nidan; Ye, Zhao; Zhang, Yichao; Zhao, Yao; Wang, Yongfei [Fudan University, Department of Neurosurgery, Huashan Hospital, Shanghai Medical College, Shanghai (China); Shanghai Pituitary Tumor Center, Shanghai (China); Yao, Zhenwei [Shanghai Pituitary Tumor Center, Shanghai (China); Fudan University, Department of Radiology, Huashan Hospital, Shanghai Medical College, Shanghai (China); Lu, Yun [Fudan University, Department of Nuclear Medicine, Huashan Hospital, Shanghai Medical College, Shanghai (China)

    2016-11-15

    The difficulty of predicting the efficacy of somatostatin analogs (SSA) is not fully resolved. Here, we quantitatively evaluated the predictive value of relative signal intensity (rSI) on T1- and T2-weighted magnetic resonance imaging (MRI) for the short-term efficacy (3 months) of SSA therapy in patients with active acromegaly and assessed the correlation between MRI rSI and expression of somatostatin receptors (SSTR). This was a retrospective review of prospectively recorded data. Ninety-two newly diagnosed patients (37 males and 55 females) with active acromegaly were recruited. All patients were treated with pre-surgical SSA, followed by reassessment and transspenoidal surgery. rSI values were generated by calculating the ratio of SI in the tumor to the SI of normal frontal white matter. The Youden indices were calculated to determine the optimal cutoff of rSI to determine the efficacy of SSA. The correlation between rSI and expression of SSTR2/5 was analyzed by the Spearman rank correlation coefficient. T2 rSI was strongly correlated with biochemical sensitivity to SSA. The cutoff value of T2 rSI to distinguish biochemical sensitivity was 1.205, with a positive predictive value (PPV) of 81.5 % and a negative predictive value (NPV) of 77.3 %. No correlation was found between MRI and tumor size sensitivity. Moreover, T2 rSI was negatively correlated with the expression of SSTR5. T2 rSI correlates with the expression of SSTR5 and quantitatively predicts the biochemical efficacy of SSA in acromegaly. (orig.)

  3. Analyzing trophic transfer of heavy metals for food webs in the newly-formed wetlands of the Yellow River Delta, China

    Energy Technology Data Exchange (ETDEWEB)

    Cui Baoshan, E-mail: cuibs@bnu.edu.cn [State Key Joint Laboratory of Environmental Simulation and Pollution Control, School of Environment, Beijing Normal University, Beijing 100875 (China); Zhang Qijun [State Key Joint Laboratory of Environmental Simulation and Pollution Control, School of Environment, Beijing Normal University, Beijing 100875 (China); Zhang Kejiang [Department of Civil Engineering, University of Calgary, Alberta, T2N 1N4 (Canada); Liu Xinhui; Zhang Honggang [State Key Joint Laboratory of Environmental Simulation and Pollution Control, School of Environment, Beijing Normal University, Beijing 100875 (China)

    2011-05-15

    Nine heavy metals sampled from water, sediments, and aquatic organisms in the newly-formed wetlands of the Yellow River Delta (YRD) of China were analyzed to evaluate their concentrations and trophic transfer in food webs. The stable carbon ({delta}{sup 13}C) and nitrogen ({delta}{sup 15}N) isotopes were used to investigate trophic interactions. Results show that most of heavy metals detected in water and sediments are lower than that in Yangtze River Delta and Pearl River Delta. The longest food web is approximately 4 with the highest trophic level of birds. The difference of heavy metal concentrations between endangered Saunders's Gull and other three kinds of protected birds is not obvious. Cd, Zn, and Hg were identified to have an increase with the trophic level (TL), while As, Cr, Cu, Mn, Ni and Pb show an opposite trend, however, the biomagnification of the selected nine heavy metals in the food webs is not significant. - Highlights: > Heavy metal content in newly-formed wetlands is lower than that in similar regions. > There is a trophic level-dependent accumulation of heavy metals in food webs. > The longest food web is approximately 4 with the highest trophic level of birds. > Cd, Zn, and Hg were identified to increase with the trophic level. > The difference of metal content between Saunders's Gull and other birds isn't obvious. - The newly-formed wetlands show slight heavy metal contamination and weak biomagnification through the food webs in the Yellow River Delta.

  4. Comparison between methods for predicting maximum solid solubility of transition metals in solvent metal

    Institute of Scientific and Technical Information of China (English)

    周自强; 方守狮; 冯锋

    2003-01-01

    It is important to know the maximum solid solubility(Cmax) of various transition metals in a metal when one designs multi-component alloys. There have been several semi-empirical approaches to qualitatively predict the Cmax, such as Darken-Gurry(D-G) theorem, Miedema-Chelikowsky(M-C) theorem, electron concentration rule and the bond-parameter rule. However, they are not particularly valid for the prediction of Cmax. It was developed on the basis of energetics of alloys as a new method to predict Cmax of different transition metals in metal Ti, which can be described as a semi-empirical equation using the atomic parameters, i e, electronegativity difference, atomic diameter and electron concentration. It shows that the present method can be used to explain and deduce D-G theorem, M-C theorem and electron concentration rule.

  5. Predictive modeling of reactive wetting and metal joining.

    Energy Technology Data Exchange (ETDEWEB)

    van Swol, Frank B.

    2013-09-01

    The performance, reproducibility and reliability of metal joints are complex functions of the detailed history of physical processes involved in their creation. Prediction and control of these processes constitutes an intrinsically challenging multi-physics problem involving heating and melting a metal alloy and reactive wetting. Understanding this process requires coupling strong molecularscale chemistry at the interface with microscopic (diffusion) and macroscopic mass transport (flow) inside the liquid followed by subsequent cooling and solidification of the new metal mixture. The final joint displays compositional heterogeneity and its resulting microstructure largely determines the success or failure of the entire component. At present there exists no computational tool at Sandia that can predict the formation and success of a braze joint, as current capabilities lack the ability to capture surface/interface reactions and their effect on interface properties. This situation precludes us from implementing a proactive strategy to deal with joining problems. Here, we describe what is needed to arrive at a predictive modeling and simulation capability for multicomponent metals with complicated phase diagrams for melting and solidification, incorporating dissolutive and composition-dependent wetting.

  6. Lubrication and friction prediction in metal-on-metal hip implants.

    Science.gov (United States)

    Wang, F C; Brockett, C; Williams, S; Udofia, I; Fisher, J; Jin, Z M

    2008-03-07

    A general methodology of mixed lubrication analysis and friction prediction for a conforming spherical bearing in hip implants was developed, with particular reference to a typical metal-on-metal hip replacement. Experimental measurement of frictional torque for a similar implant was carried out to validate the theoretical prediction. A ball-in-socket configuration was adopted to represent the articulation between the femoral head and the acetabular cup under cyclic operating conditions of representative load and motion. The mixed lubrication model presented in this study was first applied to identify the contact characteristics on the bearing surfaces, consisting of both fluid-film and boundary lubricated regions. The boundary lubricated contact was assumed to occur when the predicted fluid film thickness was less than a typical boundary protein layer absorbed on the bearing surfaces. Subsequently, the friction was predicted from the fluid-film lubricated region with viscous shearing due to both Couette and Poiseuille flows and the boundary protein layer contact region with a constant coefficient of friction. The predicted frictional torque of the typical metal-on-metal hip joint implant was compared with the experimental measurement conducted in a functional hip simulator and a reasonably good agreement was found. The mixed lubrication regime was found to be dominant for the conditions considered. Although the percentage of the boundary lubricated region was quite small, the corresponding contribution to friction was quite large and the resultant friction factor was quite high.

  7. Lubrication and friction prediction in metal-on-metal hip implants

    Energy Technology Data Exchange (ETDEWEB)

    Wang, F C; Brockett, C; Williams, S; Udofia, I; Fisher, J; Jin, Z M [Institute of Medical and Biological Engineering, School of Mechanical Engineering, University of Leeds, Leeds LS2 9JT (United Kingdom)], E-mail: f.c.wang@bath.ac.uk

    2008-03-07

    A general methodology of mixed lubrication analysis and friction prediction for a conforming spherical bearing in hip implants was developed, with particular reference to a typical metal-on-metal hip replacement. Experimental measurement of frictional torque for a similar implant was carried out to validate the theoretical prediction. A ball-in-socket configuration was adopted to represent the articulation between the femoral head and the acetabular cup under cyclic operating conditions of representative load and motion. The mixed lubrication model presented in this study was first applied to identify the contact characteristics on the bearing surfaces, consisting of both fluid-film and boundary lubricated regions. The boundary lubricated contact was assumed to occur when the predicted fluid film thickness was less than a typical boundary protein layer absorbed on the bearing surfaces. Subsequently, the friction was predicted from the fluid-film lubricated region with viscous shearing due to both Couette and Poiseuille flows and the boundary protein layer contact region with a constant coefficient of friction. The predicted frictional torque of the typical metal-on-metal hip joint implant was compared with the experimental measurement conducted in a functional hip simulator and a reasonably good agreement was found. The mixed lubrication regime was found to be dominant for the conditions considered. Although the percentage of the boundary lubricated region was quite small, the corresponding contribution to friction was quite large and the resultant friction factor was quite high.

  8. Fuzzy Prediction of Silicon Content for BF Hot Metal

    Institute of Scientific and Technical Information of China (English)

    LI Qi-hui; LIU Xiang-guan

    2005-01-01

    Some key operation variables influencing hotmetal silicon content were selected, and time lag of each of them was obtained. A standardized fuzzy system model was developed to approach the random nonlinear dynamic system of the change of silicon content, forecast the change of silicon content and calculate silicon content. The prediction of hot metal silicon content is very successful with the data collected online from BF No. 1 at Laiwu Iron and Steel Group Co.

  9. Application of lipophilicity parameters in QSRR analysis of newly synthesized s-triazine derivatives: Prediction of the retention behavior

    Directory of Open Access Journals (Sweden)

    Jevrić Lidija R.

    2011-01-01

    Full Text Available Considerable attention has been paid to the analysis of chemicals in the s-triazine group, due to their widespread use in agricultural chemistry and their subsequent impact on biological systems. For initial chemical screening of the activity of newly synthesized compounds, it is recommended to determine their lipophilicity and physico-chemical property in relation to biological activity. Lipophilicity is difficult to quantify. The most widely accepted measure of lipophilicity is the octanol-water partition coefficient. Measurement of the octanol-water partition coefficients is achieved by an alternative method, i.e. reversed-phase liquid chromatography. Reversed-phase thin-layer chromatography (RP TLC is a rapid method for the analysis of large number of s-triazine type compounds. Certain relationship between the structure of s-triazine compounds and their mobility on silica gel impregnated with paraffin oil have recently been demonstrated. The retention behavior of compounds in various chromatographic systems strongly depends on their physico-chemical properties. Recently, much effort was given in finding adequate mathematical model relating the retention of the given analyte to its physico-chemical and structural parameters (descriptors. These correlations are known as quantitative structure-retention relationships (QSRR, which offer a powerful tool for the prediction of separation behavior. The QSRR equations describing retention constants RM0, determined for different modifiers in mobile phase in terms of logarithms of n-octanol-water partition coefficients, were derived. The partition coefficients (AlogPs, AClogP, AB/logP, milogP, AlogP, MlogP, logPKowin, XlogP2, XlogP3, ACDlogP i ClogP were calculated by application of different software packages. The goal of this paper was to select the logP data and TLC system that best characterize octanol/water partitioning and thus the lipophilicity of the investigated molecules.

  10. Predicting bioavailability of metals from sludge-amended soils.

    Science.gov (United States)

    Golui, Debasis; Datta, S P; Rattan, R K; Dwivedi, B S; Meena, M C

    2014-12-01

    We attempted to develop a protocol for fixing the maximum permissible limit of sludge in agricultural lands based on transfer of metals from sludge-amended soils to human food chain. For this purpose, spinach was grown as a test crop on acid and alkaline soils with graded doses of sludge (0, 1.12, 2.24, 4.48, 8.96, 17.9, 35.8, 71.6, 142 and 285 g kg(-1) of soil) in a pot experiment. Biomass yield of spinach was increased due to sludge application in both acid and alkaline soils. Among the chemical extractants, EDTA extracted the highest amount of metals from sludge-amended soil followed by diethylenetriaminepentaacetic acid (DTPA) and CaCl2. Elevated levels of Zn, Cu, Fe, Mn, Ni, Cd and Pb in spinach were observed due to sludge application over control. Application of sludge was more effective in increasing metal content in spinach grown on acid soil than alkaline soil. Solubility-free ion activity model as a function of pH, organic carbon and extractable metal was far more effective in predicting metal uptake by spinach grown on sludge-amended soils as compared to that of chemical extractants. Risk in terms of hazard quotient (HQ) for intake of metals through consumption of spinach by humans grown on sludge-treated soils was computed for different metals separately. In a 90-day pot experiment, safe rates of sludge application were worked out as 4.48 and 71.6 g kg(-1) for acid and alkaline soils, respectively.

  11. Prediction of high temperature metal matrix composite ply properties

    Science.gov (United States)

    Caruso, J. J.; Chamis, C. C.

    1988-01-01

    The application of the finite element method (superelement technique) in conjunction with basic concepts from mechanics of materials theory is demonstrated to predict the thermomechanical behavior of high temperature metal matrix composites (HTMMC). The simulated behavior is used as a basis to establish characteristic properties of a unidirectional composite idealized an as equivalent homogeneous material. The ply properties predicted include: thermal properties (thermal conductivities and thermal expansion coefficients) and mechanical properties (moduli and Poisson's ratio). These properties are compared with those predicted by a simplified, analytical composite micromechanics model. The predictive capabilities of the finite element method and the simplified model are illustrated through the simulation of the thermomechanical behavior of a P100-graphite/copper unidirectional composite at room temperature and near matrix melting temperature. The advantage of the finite element analysis approach is its ability to more precisely represent the composite local geometry and hence capture the subtle effects that are dependent on this. The closed form micromechanics model does a good job at representing the average behavior of the constituents to predict composite behavior.

  12. MetalDetector v2.0: predicting the geometry of metal binding sites from protein sequence

    OpenAIRE

    Passerini, A; Lippi, M.; P. Frasconi

    2011-01-01

    MetalDetector identifies CYS and HIS involved in transition metal protein binding sites, starting from sequence alone. A major new feature of release 2.0 is the ability to predict which residues are jointly involved in the coordination of the same metal ion. The server is available at http://metaldetector.dsi.unifi.it/v2.0/.

  13. Predictive models of gas sorption in a metal-organic framework with open-metal sites and small pore sizes.

    Science.gov (United States)

    Pham, Tony; Forrest, Katherine A; Franz, Douglas M; Guo, Zhiyong; Chen, Banglin; Space, Brian

    2017-07-19

    Simulations of CO2 and H2 sorption were performed in UTSA-20, a metal-organic framework (MOF) having zyg topology and composed of Cu(2+) ions coordinated to 3,3',3'',5,5',5''-benzene-1,3,5-triyl-hexabenzoate (BHB) linkers. Previous experimental studies have shown that this MOF displays remarkable CO2 sorption properties and exhibits one of the highest gravimetric H2 uptakes at 77 K/1.0 atm (2.9 wt%) [Z. Guo, et al. Angew. Chem., Int. Ed., 2011, 50, 3178-3181]. For both sorbates, the simulations were executed with the inclusion of explicit many-body polarization interactions, which was necessary to reproduce sorption onto the open-metal sites. Non-polarizable potentials were also utilized for simulations of CO2 sorption as a control. The simulated excess sorption isotherms for both CO2 and H2 are in very good agreement with the corresponding experimental data over a wide range of temperatures and pressures, thus demonstrating the accuracy and predictive power of the polarizable potentials used herein. The theoretical isosteric heat of adsorption (Qst) values are also in good agreement with the newly reported experimental Qst values for the respective sorbates in UTSA-20. Sorption onto the more positively charged Cu(2+) ion of the [Cu2(O2CR)4] cluster was observed for both CO2 and H2. However, a binding site with energetics comparable to that for an open-metal site was also discovered for both sorbates. A radial distribution function (g(r)) analysis about the preferential Cu(2+) ions for CO2 and H2 revealed that both sorbates display different trends for the relative occupancy about such sites upon increasing/decreasing the pressure in the MOF. Overall, this study provides insights into the CO2 and H2 sorption mechanisms in this MOF containing open-metal sites and small pore sizes for the first time through a classical polarizable force field.

  14. A lower baseline glomerular filtration rate predicts high mortality and newly cerebrovascular accidents in acute ischemic stroke patients.

    Science.gov (United States)

    Dong, Kai; Huang, Xiaoqin; Zhang, Qian; Yu, Zhipeng; Ding, Jianping; Song, Haiqing

    2017-02-01

    Chronic kidney disease (CKD) is gradually recognized as an independent risk factor for cardiovascular and cardio-/cerebrovascular disease. This study aimed to examine the association of the estimated glomerular filtration rate (eGFR) and clinical outcomes at 3 months after the onset of ischemic stroke in a hospitalized Chinese population.Totally, 972 patients with acute ischemic stroke were enrolled into this study. Modified of Diet in Renal Disease (MDRD) equations were used to calculate eGFR and define CKD. The site and degree of the stenosis were examined. Patients were followed-up for 3 months. Endpoint events included all-cause death and newly ischemic events. The multivariate logistic model was used to determine the association between renal dysfunction and patients' outcomes.Of all patients, 130 patients (13.4%) had reduced eGFR (stroke patients. A low baseline eGFR was also a strong independent predictor for newly ischemic events in ICAS patients.

  15. Predictive value of pretreatment positron emission tomography/computed tomography in patients with newly diagnosed extranodal natural killer/T-cell lymphoma.

    Science.gov (United States)

    Bai, Bing; Huang, Hui-Qiang; Cai, Qi-Chun; Fan, Wei; Wang, Xiao-Xiao; Zhang, Xu; Lin, Ze-Xiao; Gao, Yan; Xia, Yun-Fei; Guo, Ying; Cai, Qing-Qing; Jiang, Wen-Qi; Lin, Tong-Yu

    2013-03-01

    The role of (18)Fluorodeoxyglucose positron emission tomography/computed tomography (PET/CT) in extranodal natural killer/T-cell lymphoma (ENKL) is not well established. This study aimed to investigate the prognostic role of the pretreatment maximum standardized uptake value (SUV(max)) on PET/CT in patients with newly diagnosed ENKL. Among 364 consecutive patients with newly diagnosed ENKL, 81 patients were included and reviewed. The impact of SUV(max) on survival and the relationship between SUV(max) and other clinicopathological parameters were analyzed. The median SUV(max) was 14.6 (range 2.0-45.4). The optimal cutoff value of SUV(max) to predict overall survival (OS) was 15. Patients with high SUV(max) (SUVmax >15) were associated with bulky disease (P KPI, P = 0.046), resistance to primary treatment (P = 0.014), poor OS (P 60 years (P = 0.001), stage III-IV (P = 0.023), SUV(max) >15 (P = 0.020), and bulky disease (>5 cm) (P = 0.002). By using the SUV(max), patients in most subgroups stratified by the KPI or the International Prognostic Index (IPI) were further discriminated in OS with significant statistical difference. Our results suggest the pretreatment SUV(max) is predictive of prognosis in patients with newly diagnosed ENKL. The SUV(max) may provide additional prognostic information for IPI and KPI.

  16. Synthesis of copper/nickel nanoparticles using newly synthesized Schiff-base metals complexes and their cytotoxicity/catalytic activities.

    Science.gov (United States)

    Aazam, Elham S; El-Said, Waleed Ahmed

    2014-12-01

    Transition metal complexes compounds with Schiff bases ligand representing an important class of compounds that could be used to develop new metal-based anticancer agents and as precursors of metal NPs. Herein, 2,3-bis-[(3-ethoxy-2-hydroxybenzylidene)amino]but-2-enedinitrile Schiff base ligand and its corresponding copper/nickel complexes were synthesized. Also, we reported a facile and rapid method for synthesis nickel/copper nanoparticles based on thermal reduction of their complexes. Free ligand, its metal complexes and metals nanoparticles have been characterized based on elemental analysis, transmission electron microscopy, powder X-ray diffraction, magnetic measurements and by various spectroscopic (UV-vis, FT-IR, (1)H NMR, GC-MS) techniques. Additionally, the in vitro cytotoxic activity of free ligand and its complexes compounds were assessed against two cancer cell lines (HeLa and MCF-7 cells)and one healthy cell line (HEK293 cell). The copper complex was found to be active against these cancer cell lines at very low LD50 than the free ligand, while nickel complex did not show any anticancer activity against these cell lines. Also, the antibacterial activity of as-prepared copper nanoparticles were screened against Escherichia coli, which demonstrated minimum inhibitory concentration and minimum bactericidal concentration values lower than those values of the commercial Cu NPs as well as the previous reported values. Moreover, the synthesized nickel nanoparticles demonstrated remarkable catalytic performance toward hydrogenation of nitrobenzene that producing clean aniline with high selectivity (98%). This reactivity could be attributed to the high degree of dispersion of Ni nanoparticles. Copyright © 2014 Elsevier Inc. All rights reserved.

  17. Gas Metal Arc Welding Process Modeling and Prediction of Weld Microstructure in MIL A46100 Armor-Grade Martensitic Steel

    Science.gov (United States)

    Grujicic, M.; Arakere, A.; Ramaswami, S.; Snipes, J. S.; Yavari, R.; Yen, C.-F.; Cheeseman, B. A.; Montgomery, J. S.

    2013-06-01

    A conventional gas metal arc welding (GMAW) butt-joining process has been modeled using a two-way fully coupled, transient, thermal-mechanical finite-element procedure. To achieve two-way thermal-mechanical coupling, the work of plastic deformation resulting from potentially high thermal stresses is allowed to be dissipated in the form of heat, and the mechanical material model of the workpiece and the weld is made temperature dependent. Heat losses from the deposited filler-metal are accounted for by considering conduction to the adjoining workpieces as well as natural convection and radiation to the surroundings. The newly constructed GMAW process model is then applied, in conjunction with the basic material physical-metallurgy, to a prototypical high-hardness armor martensitic steel (MIL A46100). The main outcome of this procedure is the prediction of the spatial distribution of various crystalline phases within the weld and the heat-affected zone regions, as a function of the GMAW process parameters. The newly developed GMAW process model is validated by comparing its predictions with available open-literature experimental and computational data.

  18. Universal structural parameter to quantitatively predict metallic glass properties.

    Science.gov (United States)

    Ding, Jun; Cheng, Yong-Qiang; Sheng, Howard; Asta, Mark; Ritchie, Robert O; Ma, Evan

    2016-12-12

    Quantitatively correlating the amorphous structure in metallic glasses (MGs) with their physical properties has been a long-sought goal. Here we introduce 'flexibility volume' as a universal indicator, to bridge the structural state the MG is in with its properties, on both atomic and macroscopic levels. The flexibility volume combines static atomic volume with dynamics information via atomic vibrations that probe local configurational space and interaction between neighbouring atoms. We demonstrate that flexibility volume is a physically appropriate parameter that can quantitatively predict the shear modulus, which is at the heart of many key properties of MGs. Moreover, the new parameter correlates strongly with atomic packing topology, and also with the activation energy for thermally activated relaxation and the propensity for stress-driven shear transformations. These correlations are expected to be robust across a very wide range of MG compositions, processing conditions and length scales.

  19. Reduction in plasma cell proliferation after initial therapy in newly diagnosed multiple myeloma measures treatment response and predicts improved survival.

    Science.gov (United States)

    Larsen, Jeremy T; Chee, Cheng E; Lust, John A; Greipp, Philip R; Rajkumar, S Vincent

    2011-09-08

    Standard myeloma treatment response criteria are determined principally by changes in the monoclonal protein. Reduction in the size of the proliferative component of malignant plasma cells may be an additional metric of assessing response to therapy. We retrospectively analyzed 176 patients with newly diagnosed myeloma with a measurable plasma cell labeling index (PCLI) at diagnosis and repeat measurement 4 months after initiation of therapy. PCLI response was defined as a ≥ 60% reduction. Baseline PCLI is an independent prognostic factor; therefore, we categorized patients into 3 groups: PCLI ≥ 3% (high), ≥ 1% (intermediate), and compared with 29 months in nonresponders (P = .02). Improved median overall survival with PCLI response occurred in the high initial PCLI group (28 vs 7 months; P = .003) and intermediate group (64 vs 24 months; P = .002). The application of PCLI response and serum M-spike response together provided further prognostic information. On multivariate analysis, the prognostic value of PCLI response was independent of β(2)-microglobulin, elevated creatinine, serum M-spike response, and baseline PCLI. We conclude that a significant reduction in plasma cell proliferation in patients with newly diagnosed myeloma is an important predictor of survival.

  20. Do cobalt and chromium levels predict osteolysis in metal-on-metal total hip arthroplasty?

    Science.gov (United States)

    Renner, Lisa; Schmidt-Braekling, Tom; Faschingbauer, Martin; Boettner, Friedrich

    2016-12-01

    Serum metal ions are part of the regular follow-up routine of patients with metal-on-metal total hip arthroplasties (MoM-THA). Increased cobalt levels have been suggested to indicate implant failure and corrosion. (1) Is there a correlation between the size of the osteolysis measured on a CT scan and metal ion levels? (2) Can metal ion levels predict the presence of osteolysis in MoM-THA? (3) Are cobalt and chromium serum levels or the cobalt-chromium-ratio diagnostic for osteolysis? CT scans of patients (n = 75) with a unilateral MoM-THA (Birmingham Hip System, Smith & Nephew, TN, USA) implanted by a single surgeon were reviewed to determine the presence of osteolysis. Statistical analysis was performed to detect its association with metal ion levels at the time of the imaging exam. The incidence of osteolysis was the same in men and women (35.6 vs 35.7 %). The cobalt-chromium-ratio correlates with the size of the osteolysis on the CT scan and the femoral component size in the overall study population (p = 0.050, p = 0.001) and in men (p = 0.002, p = 0.001) but not in women (p = 0.312, p = 0.344). The AUC for the cobalt-chromium-ratio to detect osteolysis was 0.613 (p = 0.112) for the overall population, 0.710 for men (p = 0.021) and 0.453 (p = 0.684) for women. The data suggest that a cut off level of 1.71 for the cobalt-chromium-ratio has a sensitivity of 62.5 % and specificity of 72.4 % to identify male patients with osteolysis. The disproportional increase of cobalt over chromium, especially in male patients with large component sizes can not be explained by wear alone and suggests that other processes (corrosion) might contribute to metal ion levels and might be more pronounced in patients with larger component sizes.

  1. Modelling chelate-Induced phytoextraction: functional models predicting bioavailability of metals in soil, metal uptake and shoot biomass

    Directory of Open Access Journals (Sweden)

    Pasqualina Sacco

    Full Text Available Chelate-induced phytoextraction of heavy metals from contaminated soils requires special care to determine, a priori, the best method of chelate application, in terms of both dose and timing. In fact, the chelate dose must assure the bioavailability of the metal to the plant without increasing leaching risk and giving toxic effects. Three mathematical models are here proposed for usefully interpreting the processes taking place: a increased soil bioavailability of metals by chelants; b metal uptake by plants; c variation in plant biomass. The models are implemented and validated using data from pot and lysimeter trials. Both the chelate dose and the time elapsed since its application affected metal bioavailability and plant response. Contrariwise, the distribution strategy (single vs. split application seems to produce significant differences both in plant growth and metal uptake, but not in soil metal bioavailability. The proposed models may help to understand and predict the chelate dose – effect relationship with less experimental work.

  2. Spatial predictions of Rhodesian Human African Trypanosomiasis (sleeping sickness prevalence in Kaberamaido and Dokolo, two newly affected districts of Uganda.

    Directory of Open Access Journals (Sweden)

    Nicola A Batchelor

    Full Text Available The continued northwards spread of Rhodesian sleeping sickness or Human African Trypanosomiasis (HAT within Uganda is raising concerns of overlap with the Gambian form of the disease. Disease convergence would result in compromised diagnosis and treatment for HAT. Spatial determinants for HAT are poorly understood across small areas. This study examines the relationships between Rhodesian HAT and several environmental, climatic and social factors in two newly affected districts, Kaberamaido and Dokolo. A one-step logistic regression analysis of HAT prevalence and a two-step logistic regression method permitted separate analysis of both HAT occurrence and HAT prevalence. Both the occurrence and prevalence of HAT were negatively correlated with distance to the closest livestock market in all models. The significance of distance to the closest livestock market strongly indicates that HAT may have been introduced to this previously unaffected area via the movement of infected, untreated livestock from endemic areas. This illustrates the importance of the animal reservoir in disease transmission, and highlights the need for trypanosomiasis control in livestock and the stringent implementation of regulations requiring the treatment of cattle prior to sale at livestock markets to prevent any further spread of Rhodesian HAT within Uganda.

  3. Spatial predictions of Rhodesian Human African Trypanosomiasis (sleeping sickness) prevalence in Kaberamaido and Dokolo, two newly affected districts of Uganda.

    Science.gov (United States)

    Batchelor, Nicola A; Atkinson, Peter M; Gething, Peter W; Picozzi, Kim; Fèvre, Eric M; Kakembo, Abbas S L; Welburn, Susan C

    2009-12-15

    The continued northwards spread of Rhodesian sleeping sickness or Human African Trypanosomiasis (HAT) within Uganda is raising concerns of overlap with the Gambian form of the disease. Disease convergence would result in compromised diagnosis and treatment for HAT. Spatial determinants for HAT are poorly understood across small areas. This study examines the relationships between Rhodesian HAT and several environmental, climatic and social factors in two newly affected districts, Kaberamaido and Dokolo. A one-step logistic regression analysis of HAT prevalence and a two-step logistic regression method permitted separate analysis of both HAT occurrence and HAT prevalence. Both the occurrence and prevalence of HAT were negatively correlated with distance to the closest livestock market in all models. The significance of distance to the closest livestock market strongly indicates that HAT may have been introduced to this previously unaffected area via the movement of infected, untreated livestock from endemic areas. This illustrates the importance of the animal reservoir in disease transmission, and highlights the need for trypanosomiasis control in livestock and the stringent implementation of regulations requiring the treatment of cattle prior to sale at livestock markets to prevent any further spread of Rhodesian HAT within Uganda.

  4. Prediction of wrinkling and springback in sheet metal forming

    Directory of Open Access Journals (Sweden)

    Neto D.M.

    2016-01-01

    Full Text Available The finite element simulation is currently a powerful tool to optimize forming processes in order to produce defect-free products. Wrinkling and springback are main geometrical defects arising in sheet metal forming. Nevertheless, the prediction of such defects requires accurate numerical models. This study presents the experimental and numerical analysis of a rail with high tendency to develop both wrinkling (top surface of geometry and springback (flange. The punch force evolution and the final geometry of the rail, evaluated in four different cross-sections, are the main variables analysed. Globally, the numerical results are in good agreement with the experimental measurements. However, the shape of the wrinkle is significantly influenced by the symmetry conditions considered in the model (1/4 of the blank. In fact, considering the full model of the blank, the numerical results are in better agreement with the experimental ones. On the other hand, the computational cost of the numerical simulation considering the full blank is approximately 12 times higher than using 1/4 of the blank.

  5. Functional divergence in the genus Oenococcus as predicted by genome sequencing of the newly-described species, Oenococcus kitaharae.

    Directory of Open Access Journals (Sweden)

    Anthony R Borneman

    Full Text Available Oenococcus kitaharae is only the second member of the genus Oenococcus to be identified and is the closest relative of the industrially important wine bacterium Oenococcus oeni. To provide insight into this new species, the genome of the type strain of O. kitaharae, DSM 17330, was sequenced. Comparison of the sequenced genomes of both species show that the genome of O. kitaharae DSM 17330 contains many genes with predicted functions in cellular defence (bacteriocins, antimicrobials, restriction-modification systems and a CRISPR locus which are lacking in O. oeni. The two genomes also appear to differentially encode several metabolic pathways associated with amino acid biosynthesis and carbohydrate utilization and which have direct phenotypic consequences. This would indicate that the two species have evolved different survival techniques to suit their particular environmental niches. O. oeni has adapted to survive in the harsh, but predictable, environment of wine that provides very few competitive species. However O. kitaharae appears to have adapted to a growth environment in which biological competition provides a significant selective pressure by accumulating biological defence molecules, such as bacteriocins and restriction-modification systems, throughout its genome.

  6. Fatigue Strength Prediction of Drilling Materials Based on the Maximum Non-metallic Inclusion Size

    Science.gov (United States)

    Zeng, Dezhi; Tian, Gang; Liu, Fei; Shi, Taihe; Zhang, Zhi; Hu, Junying; Liu, Wanying; Ouyang, Zhiying

    2015-12-01

    In this paper, the statistics of the size distribution of non-metallic inclusions in five drilling materials were performed. Based on the maximum non-metallic inclusion size, the fatigue strength of the drilling material was predicted. The sizes of non-metallic inclusions in drilling materials were observed to follow the inclusion size distribution rule. Then the maximum inclusion size in the fatigue specimens was deduced. According to the prediction equation of the maximum inclusion size and fatigue strength proposed by Murakami, fatigue strength of drilling materials was obtained. Moreover, fatigue strength was also measured through rotating bending tests. The predicted fatigue strength was significantly lower than the measured one. Therefore, according to the comparison results, the coefficients in the prediction equation were revised. The revised equation allowed the satisfactory prediction results of fatigue strength of drilling materials at the fatigue life of 107 rotations and could be used in the fast prediction of fatigue strength of drilling materials.

  7. Using biotic ligand models to predict metal toxicity in mineralized systems

    Science.gov (United States)

    Smith, Kathleen S.; Balistrieri, Laurie S.; Todd, Andrew S.

    2015-01-01

    The biotic ligand model (BLM) is a numerical approach that couples chemical speciation calculations with toxicological information to predict the toxicity of aquatic metals. This approach was proposed as an alternative to expensive toxicological testing, and the U.S. Environmental Protection Agency incorporated the BLM into the 2007 revised aquatic life ambient freshwater quality criteria for Cu. Research BLMs for Ag, Ni, Pb, and Zn are also available, and many other BLMs are under development. Current BLMs are limited to ‘one metal, one organism’ considerations. Although the BLM generally is an improvement over previous approaches to determining water quality criteria, there are several challenges in implementing the BLM, particularly at mined and mineralized sites. These challenges include: (1) historically incomplete datasets for BLM input parameters, especially dissolved organic carbon (DOC), (2) several concerns about DOC, such as DOC fractionation in Fe- and Al-rich systems and differences in DOC quality that result in variations in metal-binding affinities, (3) water-quality parameters and resulting metal-toxicity predictions that are temporally and spatially dependent, (4) additional influences on metal bioavailability, such as multiple metal toxicity, dietary metal toxicity, and competition among organisms or metals, (5) potential importance of metal interactions with solid or gas phases and/or kinetically controlled reactions, and (6) tolerance to metal toxicity observed for aquatic organisms living in areas with elevated metal concentrations.

  8. Multiple metals predict prolactin and thyrotropin (TSH) levels in men

    Energy Technology Data Exchange (ETDEWEB)

    Meeker, John D., E-mail: meekerj@umich.edu [Department of Environmental Health Sciences, University of Michigan School of Public Health, 6635 SPH Tower, 109 S. Observatory St., Ann Arbor, MI 48109 (United States); Rossano, Mary G. [Department of Animal and Food Sciences, University of Kentucky, Lexington, KY (United States); Protas, Bridget [Department of Epidemiology, Michigan State University, East Lansing, MI (United States); Diamond, Michael P.; Puscheck, Elizabeth [Department of Obstetrics and Gynecology, Wayne State University, Detroit, MI (United States); Daly, Douglas [Grand Rapids Fertility and IVF, Grand Rapids, MI (United States); Paneth, Nigel [Department of Obstetrics and Gynecology, Michigan State University, East Lansing, MI (United States); Wirth, Julia J. [Department of Epidemiology, Michigan State University, East Lansing, MI (United States); Department of Obstetrics and Gynecology, Michigan State University, East Lansing, MI (United States)

    2009-10-15

    Exposure to a number of metals can affect neuroendocrine and thyroid signaling, which can result in adverse effects on development, behavior, metabolism, reproduction, and other functions. The present study assessed the relationship between metal concentrations in blood and serum prolactin (PRL) and thyrotropin (TSH) levels, markers of dopaminergic, and thyroid function, respectively, among men participating in a study of environmental influences on male reproductive health. Blood samples from 219 men were analyzed for concentrations of 11 metals and serum levels of PRL and TSH. In multiple linear regression models adjusted for age, BMI and smoking, PRL was inversely associated with arsenic, cadmium, copper, lead, manganese, molybdenum, and zinc, but positively associated with chromium. Several of these associations (Cd, Pb, Mo) are consistent with limited studies in humans or animals, and a number of the relationships (Cr, Cu, Pb, Mo) remained when additionally considering multiple metals in the model. Lead and copper were associated with non-monotonic decrease in TSH, while arsenic was associated with a dose-dependent increase in TSH. For arsenic these findings were consistent with recent experimental studies where arsenic inhibited enzymes involved in thyroid hormone synthesis and signaling. More research is needed for a better understanding of the role of metals in neuroendocrine and thyroid function and related health implications.

  9. Slip Model Used for Prediction of r Value of BCC Metal Sheets from ODF Coefficients

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Different slip models were used for prediction of rvalue of BCC metal sheets from ODF coefficients. According to the maximum plastic work theory developed by Bishop and Hill, it is expected that the higher of Taylor factors given by a slip model, the better predictio nobtained based on the model. From this point of view, a composed slip model of BCC metals was presented. Based on the model, the agreement of predicted rvalues for deep drawing steels with experimental ones is excellent.

  10. Prediction of a pure-carbon planar covalent metal

    Energy Technology Data Exchange (ETDEWEB)

    Crespi, V.H.; Benedict, L.X.; Cohen, M.L.; Louie, S.G. [Department of Physics, University of California at Berkeley, and Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720 (United States)

    1996-05-01

    Carbon is well-known as an insulator, a semimetal, a molecular solid, and a one-dimensional semiconductor or low-density-of-states metal. We propose a pure-carbon planar structure composed of pentagons and heptagons that is metallic with a density of states at the Fermi level of {approximately}0.1 state per eV per atom. This structure, planar carbon pentaheptite, is metastable with a total energy per carbon atom comparable to that of C{sub 60}. The structure can be rolled into tubes in a manner similar to graphite. Possible synthetic pathways are discussed. {copyright}{ital 1996 The American Physical Society.}

  11. Predicting the phytoextraction duration to remediate heavy metal contaminated soils

    NARCIS (Netherlands)

    Koopmans, G.F.; Römkens, P.F.A.M.; Song, J.; Temminghoff, E.J.M.; Japenga, J.

    2007-01-01

    The applicability of phytoextraction to remediate soils contaminated with heavy metals (HMs) depends on, amongst others, the duration before remediation is completed. The impact of changes in the HM content in soil occurring during remediation on plant uptake has to be considered in order to obtain

  12. Predicting the phytoextraction duration to remediate heavy metal contaminated soils

    NARCIS (Netherlands)

    Koopmans, G.F.; Römkens, P.F.A.M.; Song, J.; Temminghoff, E.J.M.; Japenga, J.

    2007-01-01

    The applicability of phytoextraction to remediate soils contaminated with heavy metals (HMs) depends on, amongst others, the duration before remediation is completed. The impact of changes in the HM content in soil occurring during remediation on plant uptake has to be considered in order to obtain

  13. Prediction of Hydrogen Entry and Permeation in Metals and Alloys

    Science.gov (United States)

    1993-01-01

    rCiwv (coA) 4Time 5(min) SECTION 3 ANOTHER GRAIN BOUNDARY CORROSION PROCESS IN SENSITIZED STAINLESS STEEL William K. Kelly, Rajan N. Iyer and Howard W...61801 Scientific Advisor Washington DC 20380 ATTN: Code AX DOD Metals Information Analysis Ct. (MIAC) CINDAS /Purdue University WestLafayette IN 47906

  14. Yule-Nielsen based multi-angle reflectance prediction of metallic halftones

    Science.gov (United States)

    Babaei, Vahid; Hersch, Roger D.

    2015-01-01

    Spectral prediction models are widely used for characterizing classical, almost transparent ink halftones printed on a diffuse substrate. Metallic-ink prints however reflect a significant portion of light in the specular direction. Due to their opaque nature, multi-color metallic halftones require juxtaposed halftoning methods where halftone dots of different colors are laid out side-by-side. In this work, we study the application of the Yule-Nielsen spectral Neugebauer (YNSN) model on metallic halftones in order to predict their reflectances. The model is calibrated separately at each considered illumination and observation angle. For each measuring geometry, there is a different Yule-Nielsen n-value. For traditional prints on paper, the n-value expresses the amount of optical dot gain. In the case of the metallic prints, the optical dot gain is much smaller than in paper prints. With the fitted n-values, we try to better understand the interaction of light and metallic halftones.

  15. Prediction of a stable half-metal ferromagnetic BaCl solid

    Science.gov (United States)

    Greschner, Michael J.; Klug, Dennis D.; Yao, Yansun

    2016-03-01

    The modification of Ba in BaCl compounds from alkaline-metal to transition- and half-metal behavior is explored. High-pressure structural changes in BaCl are predicted using an ab initio structure search method. Dynamically stable bcc and R -3 m forms of BaCl are predicted at 15 and 10 GPa, respectively. The BaCl forms are more stable than elemental Ba plus BaC l2 above ˜10 GPa. Ba in stable BaCl adopts transition-metal properties via an s -d transition. At ambient pressure the fcc structure is ferromagnetic, and the bcc structure is half metallic and ferromagnetic. The transition-metal electronic structure found is sufficient to support superconductivity, with Tc as high as 3.4 K near ambient pressure.

  16. The Extent and Prediction of Heavy Metal Pollution in Soils of Shahrood and Damghan, Iran.

    Science.gov (United States)

    Sakizadeh, Mohamad; Mirzaei, Rouhollah; Ghorbani, Hadi

    2015-12-01

    The levels of 12 heavy metals (Ag, Ba, Be, Cd, Co, Cr, Cu, Ni, Pb, Tl, V, Zn) were considered in 229 soil samples in Semnan Province, Iran. To discriminate between natural and anthropogenic inputs of heavy metals, factor analysis was used. Seven factors accounting for 90.5 % of the total variance were extracted. The mining and agricultural activities along with geogenic sources have been attributed as the main causes of the levels of heavy metals in the study area. The partial least squares regression was utilized to predict the level of soil pollution index (SPI) considering the concentrations of 12 heavy metals. The eigenvectors from the first three PLS represented more than 98 % of the overall variance. The correlation coefficient between the observed and predicted SPI was 0.99 indicating the high efficiency of this method. The resultant coefficient of determination for three PLS components was 0.984 confirming the predictive ability of this method.

  17. Predictive Modeling of Metal-Catalyzed Polyolefin Processes

    OpenAIRE

    Khare, Neeraj Prasad

    2003-01-01

    This dissertation describes the essential modeling components and techniques for building comprehensive polymer process models for metal-catalyzed polyolefin processes. The significance of this work is that it presents a comprehensive approach to polymer process modeling applied to large-scale commercial processes. Most researchers focus only on polymerization mechanisms and reaction kinetics, and neglect physical properties and phase equilibrium. Both physical properties and phase equilib...

  18. s-Process in Low Metallicity Stars. I. Theoretical Predictions

    CERN Document Server

    Bisterzo, S; Straniero, O; Cristallo, S; Kaeppeler, F

    2010-01-01

    A large sample of carbon enhanced metal-poor stars enriched in s-process elements (CEMP-s) have been observed in the Galactic halo. These stars of low mass (M ~ 0.9 Msun) are located on the main-sequence or the red giant phase, and do not undergo third dredge-up (TDU) episodes. The s-process enhancement is most plausibly due to accretion in a binary system from a more massive companion when on the asymptotic giant branch (AGB) phase (now a white dwarf). In order to interpret the spectroscopic observations, updated AGB models are needed to follow in detail the s-process nucleosynthesis. We present nucleosynthesis calculations based on AGB stellar models obtained with FRANEC (Frascati Raphson-Newton Evolutionary Code) for low initial stellar masses and low metallicities. For a given metallicity, a wide spread in the abundances of the s-process elements is obtained by varying the amount of 13C and its profile in the pocket, where the 13C(a, n)16O reaction is the major neutron source, releasing neutrons in radiat...

  19. OCT-2 expression and OCT-2/BOB.1 co-expression predict prognosis in patients with newly diagnosed acute myeloid leukemia.

    Science.gov (United States)

    Advani, Anjali S; Lim, Kathleen; Gibson, Sarah; Shadman, Mazyar; Jin, Tao; Copelan, Ed; Kalaycio, Matt; Sekeres, Mikkael A; Sobecks, Ronald; Hsi, Eric

    2010-04-01

    OCT-2 and its co-activator, BOB.1, are B-cell associated transcription factors expressed in a subset of patients with acute myeloid leukemia (AML). We evaluated OCT-2 and BOB.1 expression by immunohistochemistry in patients with newly diagnosed AML. The median overall survival (OS) for patients with varying levels of OCT-2 expression was statistically different (p = 0.03) (OCT-2 50%: 11.6 months). On multivariate analysis, co-expression of OCT-2/BOB.1 remained predictive for achievement of complete remission (HR 0.44, p = 0.010) and increased risk of relapse (HR 2.30, p = 0.047). OCT-2 (per 10% increase) was associated with a decreased progression-free survival (HR 1.10, p = 0.036) and a trend toward a worse OS (HR 1.10, p = 0.063). OCT-2 may act as a cell survival factor in AML by mediating expression of downstream targets, such as BCL-2. These results will need to be validated prospectively.

  20. Metal ion trend may be more predictive for malfunctioning metal-on-metal implants than a single measurement

    NARCIS (Netherlands)

    Smolders, J.M.; Hol, A.; Susante, J.L.C. van

    2013-01-01

    Forty-eight unilateral hip resurfacing arthroplasty patients were evaluated for cobalt and chromium levels. The metal ion trend of 42 well-functioning patients was compared with six sub-optimal functioning patients. Median metal ion levels were significantly higher for the sub-optimal group. For the

  1. Predicting water quality criteria for protecting aquatic life from physicochemical properties of metals or metalloids.

    Science.gov (United States)

    Wu, Fengchang; Mu, Yunsong; Chang, Hong; Zhao, Xiaoli; Giesy, John P; Wu, K Benjamin

    2013-01-02

    Metals are widely distributed pollutants in water and can have detrimental effects on some aquatic life and humans. Over the past few decades, the United States Environmental Protection Agency (U.S. EPA) has published a series of criteria guidelines, which contain specific criteria maximum concentrations (CMCs) for 10 metals. However, CMCs for other metals are still lacking because of financial, practical, or ethical restrictions on toxicity testing. Herein, a quantitative structure activity relationship (QSAR) method was used to develop a set of predictive relationships, based on physical and chemical characteristics of metals, and predict acute toxicities of each species for five phyla and eight families of organisms for 25 metals or metalloids. In addition, species sensitivity distributions (SSDs) were developed as independent methods for determining predictive CMCs. The quantitative ion character-activity relationships (QICAR) analysis showed that the softness index (σp), maximum complex stability constants (log -β(n)), electrochemical potential (ΔE(0)), and covalent index (X(m)(2)r) were the minimum set of structure parameters required to predict toxicity of metals to eight families of representative organisms. Predicted CMCs for 10 metals are in reasonable agreement with those recommended previously by U.S. EPA within a difference of 1.5 orders of magnitude. CMCs were significantly related to σp (r(2) = 0.76, P = 7.02 × 10(-9)) and log -β(n) (r(2) = 0.73, P = 3.88 × 10(-8)). The novel QICAR-SSD model reported here is a rapid, cost-effective, and reasonably accurate method, which can provide a beneficial supplement to existing methodologies for developing preliminarily screen level toxicities or criteria for metals, for which little or no relevant information on the toxicity to particular classes of aquatic organisms exists.

  2. Prediction of reduction potentials from calculated electron affinities for metal-salen compounds

    Directory of Open Access Journals (Sweden)

    Sarah B. Bateni

    2009-12-01

    Full Text Available The electron affinities (EAs of a training set of 19 metal-salen compounds were calculated using density functional theory. Concurrently, the experimental reduction potentials for the training set were measured using cyclic voltammetry. The EAs and reduction potentials were found to be linearly correlated by metal. The reduction potentials of a test set of 14 different metal-salens were then measured and compared to the predicted reduction potentials based upon the training set correlation. The method was found to work well, with a mean unsigned error of 99 mV for the entire test set. This method could be used to predict the reduction potentials of a variety of metal-salen compounds, an important class of coordination compounds used in synthetic organic electrochemistry as electrocatalysts.

  3. Predicted Ultrafast Dynamic Metallization of Dielectric Nanofilms by Strong Single-Cycle Optical Fields

    Science.gov (United States)

    Durach, Maxim; Rusina, Anastasia; Kling, Matthias F.; Stockman, Mark I.

    2011-08-01

    We predict a dynamic metallization effect where an ultrafast (single-cycle) optical pulse with a ≲1V/Å field causes plasmonic metal-like behavior of a dielectric film with a few-nm thickness. This manifests itself in plasmonic oscillations of polarization and a significant population of the conduction band evolving on a ˜1fs time scale. These phenomena are due to a combination of both adiabatic (reversible) and diabatic (for practical purposes irreversible) pathways.

  4. Noninvasive Phosphorus Magnetic Resonance Spectroscopic Imaging Predicts Outcome to First-line Chemotherapy in Newly Diagnosed Patients with Diffuse Large B-Cell Lymphoma

    NARCIS (Netherlands)

    Arias-Mendoza, F.; Payne, G.S.; Zakian, K.; Stubbs, M.; O'Connor, O.A.; Mojahed, H.; Smith, M.R.; Schwarz, A.J.; Shukla-Dave, A.; Howe, F.; Poptani, H.; Lee, S.-C.; Pettengel, R.; Schuster, S.J.; Cunningham, D.; Heerschap, A.; Glickson, J.D.; Griffiths, J.R.; Koutcher, J.A.; Leach, M.O.; Brown, T.R.

    2013-01-01

    Based on their association with malignant proliferation, using noninvasive phosphorus MR spectroscopic imaging ((31)P MRSI), we measured the tumor content of the phospholipid-related phosphomonoesters (PME), phosphoethanolamine and phospholcholine, and its correlation with treatment outcome in newly

  5. Predicting the Fate and Effects of Resuspended Metal Contaminated Sediments

    Science.gov (United States)

    2015-12-23

    program code included as a Visual Basic for Applications ( VBA ) enabled macro. Model calculations for bedded sediment included acid-base chemistry and...included as a VBA embedded macro. In the model , FeS(s) is oxidized to Fe2+ and S8(s) following second- order kinetics where the FeS(s) oxidation rate is a...events, such as those caused by propeller wash, which prevail in harbors and navigation systems. Physical-chemical models were developed that predict

  6. Prediction of pressure-promoted thermal rejuvenation in metallic glasses

    Science.gov (United States)

    Miyazaki, Narumasa; Wakeda, Masato; Wang, Yun-Jiang; Ogata, Shigenobu

    2016-06-01

    Rejuvenation is the structural excitation of glassy materials, and is a promising approach for improving the macroscopic deformability of metallic glasses. This atomistic study proposes the application of compressive hydrostatic pressure during the glass-forming quenching process and demonstrates highly rejuvenated glass states that have not been attainable without the application of pressure. Surprisingly, the pressure-promoted rejuvenation process increases the characteristic short- and medium-range order, even though it leads to a higher-energy glassy state. This 'local order'-'energy' relation is completely opposite to conventional thinking regarding the relation, suggesting the presence of a well-ordered high-pressure glass/high-energy glass phase. We also demonstrate that the rejuvenated glass made by the pressure-promoted rejuvenation exhibits greater plastic performance than as-quenched glass, and greater strength and stiffness than glass made without the application of pressure. It is thus possible to tune the mechanical properties of glass using the pressure-promoted rejuvenation technique.

  7. Prediction of strain localization in sheet metal forming using elastoplastic-damage model and localization criterion

    OpenAIRE

    Haddag, Badis; ABED-MERAIM, Farid; BALAN, Tudor

    2007-01-01

    The aim of this work is to study the strain localization during the plastic deformation of sheets metals. This phenomenon is precursor for the fracture of drawing parts, thus its prediction using advanced behavior models is important in order to obtain safe final parts. Most often, an accurate prediction of localization during forming process requires damage to be included in the simulation. For this purpose, an advanced, anisotropic elastoplastic model, combining isotropic and kinematic hard...

  8. Assessing time-integrated dissolved concentrations and predicting toxicity of metals during diel cycling in streams

    Science.gov (United States)

    Balistrieri, Laurie S.; Nimick, David A.; Mebane, Christopher A.

    2012-01-01

    Evaluating water quality and the health of aquatic organisms is challenging in systems with systematic diel (24 hour) or less predictable runoff-induced changes in water composition. To advance our understanding of how to evaluate environmental health in these dynamic systems, field studies of diel cycling were conducted in two streams (Silver Bow Creek and High Ore Creek) affected by historical mining activities in southwestern Montana. A combination of sampling and modeling tools were used to assess the toxicity of metals in these systems. Diffusive Gradients in Thin Films (DGT) samplers were deployed at multiple time intervals during diel sampling to confirm that DGT integrates time-varying concentrations of dissolved metals. Thermodynamic speciation calculations using site specific water compositions, including time-integrated dissolved metal concentrations determined from DGT, and a competitive, multiple-metal biotic ligand model incorporated into the Windemere Humic Aqueous Model Version 6.0 (WHAM VI) were used to determine the chemical speciation of dissolved metals and biotic ligands. The model results were combined with previously collected toxicity data on cutthroat trout to derive a relationship that predicts the relative survivability of these fish at a given site. This integrative approach may prove useful for assessing water quality and toxicity of metals to aquatic organisms in dynamic systems and evaluating whether potential changes in environmental health of aquatic systems are due to anthropogenic activities or natural variability.

  9. Microstructure-based approach for predicting crack initiation and early growth in metals.

    Energy Technology Data Exchange (ETDEWEB)

    Cox, James V.; Emery, John M.; Brewer, Luke N.; Reedy, Earl David, Jr.; Puskar, Joseph David; Bartel, Timothy James; Dingreville, Remi P. M.; Foulk, James W., III; Battaile, Corbett Chandler; Boyce, Brad Lee

    2009-09-01

    Fatigue cracking in metals has been and is an area of great importance to the science and technology of structural materials for quite some time. The earliest stages of fatigue crack nucleation and growth are dominated by the microstructure and yet few models are able to predict the fatigue behavior during these stages because of a lack of microstructural physics in the models. This program has developed several new simulation tools to increase the microstructural physics available for fatigue prediction. In addition, this program has extended and developed microscale experimental methods to allow the validation of new microstructural models for deformation in metals. We have applied these developments to fatigue experiments in metals where the microstructure has been intentionally varied.

  10. Keratinase production and biodegradation of polluted secondary chicken feather wastes by a newly isolated multi heavy metal tolerant bacterium-Alcaligenes sp. AQ05-001.

    Science.gov (United States)

    Yusuf, Ibrahim; Ahmad, Siti Aqlima; Phang, Lai Yee; Syed, Mohd Arif; Shamaan, Nor Aripin; Abdul Khalil, Khalilah; Dahalan, Farrah Aini; Shukor, Mohd Yunus

    2016-12-01

    Biodegradation of agricultural wastes, generated annually from poultry farms and slaughterhouses, can solve the pollution problem and at the same time yield valuable degradation products. But these wastes also constitute environmental nuisance, especially in Malaysia where their illegal disposal on heavy metal contaminated soils poses a serious biodegradation issue as feather tends to accumulate heavy metals from the surrounding environment. Further, continuous use of feather wastes as cheap biosorbent material for the removal of heavy metals from effluents has contributed to the rising amount of polluted feathers, which has necessitated the search for heavy metal-tolerant feather degrading strains. Isolation, characterization and application of a novel heavy metal-tolerant feather-degrading bacterium, identified by 16S RNA sequencing as Alcaligenes sp. AQ05-001 in degradation of heavy metal polluted recalcitrant agricultural wastes, have been reported. Physico-cultural conditions influencing its activities were studied using one-factor-at-a-time and a statistical optimisation approach. Complete degradation of 5 g/L feather was achieved with pH 8, 2% inoculum at 27 °C and incubation period of 36 h. The medium optimisation after the response surface methodology (RSM) resulted in a 10-fold increase in keratinase production (88.4 U/mL) over the initial 8.85 U/mL when supplemented with 0.5% (w/v) sucrose, 0.15% (w/v) ammonium bicarbonate, 0.3% (w/v) skim milk, and 0.01% (w/v) urea. Under optimum conditions, the bacterium was able to degrade heavy metal polluted feathers completely and produced valuable keratinase and protein-rich hydrolysates. About 83% of the feathers polluted with a mixture of highly toxic metals were degraded with high keratinase activities. The heavy metal tolerance ability of this bacterium can be harnessed not only in keratinase production but also in the bioremediation of heavy metal-polluted feather wastes.

  11. An effects addition model based on bioaccumulation of metals from exposure to mixtures of metals can predict chronic mortality in the aquatic invertebrate Hyalella azteca.

    Science.gov (United States)

    Norwood, Warren P; Borgmann, Uwe; Dixon, D George

    2013-07-01

    Chronic toxicity tests of mixtures of 9 metals and 1 metalloid (As, Cd, Co, Cr, Cu, Mn, Ni, Pb, Tl, and Zn) at equitoxic concentrations over an increasing concentration range were conducted with the epibenthic, freshwater amphipod Hyalella azteca. The authors conducted 28-d, water-only tests. The bioaccumulation trends changed for 8 of the elements in exposures to mixtures of the metals compared with individual metal exposures. The bioaccumulation of Co and Tl were affected the most. These changes may be due to interactions between all the metals as well as interactions with waterborne ligands. A metal effects addition model (MEAM) is proposed as a more accurate method to assess the impact of mixtures of metals and to predict chronic mortality. The MEAM uses background-corrected body concentration to predict toxicity. This is important because the chemical characteristics of different waters can greatly alter the bioavailability and bioaccumulation of metals, and interactions among metals for binding at the site of action within the organism can affect body concentration. The MEAM accurately predicted toxicity in exposures to mixtures of metals, and predicted results were within a factor of 1.1 of the observed data, using 24-h depurated body concentrations. The traditional concentration addition model overestimated toxicity by a factor of 2.7.

  12. A simple method for the prediction of the detonation performances of metal-containing explosives.

    Science.gov (United States)

    Wang, Yuan; Zhang, Jichuan; Su, Hui; Li, Shenghua; Zhang, Shaowen; Pang, Siping

    2014-06-26

    Accurate prediction to the detonation performances of different kinds of energetic materials has attracted significant attention in the area of high energy density materials (HEDMs). A common approach for the estimation of CHNO explosives is the Kamlet-Jacobs (K-J) equation. However, with the development of energetic materials, the components of explosives are no longer restricted to CHNO elements. In this study, we have extended the K-J equation to the calculation of certain metal-containing explosives. A new empirical method, in which metal elements are assumed to form metallic oxides, has been developed on the basis of the largest exothermic principle. In this method, metal oxides can be deemed as inert solids that release heat other than gases. To evaluate the prediction accuracy of new method, a commercial program EXPLO5 has been employed for the calculation. The difference involved in the ways of treating products has been taken into account, and the detonation parameters from two methods were subject to close comparison. The results suggest that the mean absolute values (MAVs) of relative deviation for detonation velocity (D) and detonation pressure (P) are less than 5%. Overall, this new method has exhibited excellent accuracy and simplicity, affording an efficient way to estimate the performance of explosives without relying on sophisticated computer programs. Therefore, it will be helpful in designing and synthesizing new metallic energetic compounds.

  13. Spatial Prediction of Heavy Metal Pollution for Soils in Coimbatore, India based on universal kriging

    Directory of Open Access Journals (Sweden)

    A. gandhimathi

    2013-05-01

    Full Text Available Coimbatore is a fast growing city, Manchester of Tamil Nadu, India. In Coimbatore Industry effluents and wastes being discharged randomly on soil, river, lake and road side without any treatment. They pollute productive soil, natural water system as well as ground water. Assessment of heavy metal content in soil and wetland from various localities of Coimbatore, Tamil Nadu was undertaken. Heavy metal pollution generally a non-stationary variable, the technique of universal kriging is applied in preference to ordinary kriging as the interpolation method. Topsoil samples (0-20 cm were taken at various locations with reference to latitude and longitude. The concentration of heavy metal As, Hg, and Cd were analyzed in the Atomic Absorption spectrometer. Universal Kriging model was developed with suitable empirical semivariogram model. The model having the least error was selected by comparing the observed water-table values with the values predicted by empirical semivariogram models. It was determined that the presence of As is high at SIDCO. Presence of Hg is high in Sanganur road. Presence of Cd is high at Sanganur and townhall were because of electroplating industries. The aim of this analysis is to investigate the level, causes of heavy metal contamination in soil and prediction of heavy metal at various locations in the vicinity of industries and around Coimbatore city.

  14. Potential ecological risk assessment and prediction of soil heavy metal pollution around coal gangue dump

    Directory of Open Access Journals (Sweden)

    X. Jiang

    2014-03-01

    Full Text Available Aim of the present study is to evaluate the potential ecological risk and predict the trend of soil heavy metal pollution around a~coal gangue dump in Jilin Province (Northeast China. The concentrations of Cd, Pb, Cu, Cr and Zn were monitored by inductively coupled plasma mass spectrometry (ICP-MS. The potential ecological risk index method developed by Hakanson (1980 was employed to assess the potential risk of heavy metal pollution. The potential ecological risk in an order of E(Cd > E(Pb > E(Cu > E(Cr > E(Zn have been obtained, which showed that Cd was the most important factor led to risk. Based on the Cd pollution history, the cumulative acceleration and cumulative rate of Cd were estimated, and the fixed number of years exceeding standard prediction model was established, which was used to predict the pollution trend of Cd under the accelerated accumulation mode and the uniform mode. Pearson correlation analysis and correspondence analysis are employed to identify the sources of heavy metal, and the relationship between sampling points and variables. These findings provide some useful insights for making appropriate management strategies to prevent and decrease heavy metal pollution around coal gangue dump in Yangcaogou coal mine and other similar areas elsewhere.

  15. Chemical thermodynamics as a predictive tool in the reactive metal brazing of ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Wang, G. [Edison Welding Inst., Columbus, OH (United States); Lannutti, J.J. [Ohio State Univ., Columbus, OH (United States)

    1995-06-01

    Thermodynamics have long been applied to the understanding of the reactive wetting phenomena in metal-ceramic joining. The authors postulate the existence of a ``solvent effect`` due to the interaction between the reactive element addition and the brazing alloy. This effect plays a significant role in reactive wetting. By taking this effect into account, more realistic reactivities of different reactive element additions into a given brazing base alloy are predicted. Irreversible thermodynamics are also used to characterize the driving forces for reactive metal-ceramic joining.

  16. Chemical thermodynamics as a predictive tool in the reactive metal brazing of ceramics

    Science.gov (United States)

    Wang, G.; Lannutti, J. J.

    1995-06-01

    Thermodynamics have long been applied to our understanding of the reactive wetting phenomena in metal-ceramic joining. We postulate the existence of a “solvent effect” due to the interaction between the reactive element addition and the brazing alloy. This effect plays a significant role in reactive wetting. By taking this effect into account, more realistic reactivities of different reactive element additions into a given brazing base alloy are predicted. Irreversible thermodynamics are also used to characterize the driving forces for reactive metal-ceramic joining.

  17. Soil parameters are key factors to predict metal bioavailability to snails based on chemical extractant data

    Energy Technology Data Exchange (ETDEWEB)

    Pauget, B.; Gimbert, F., E-mail: frederic.gimbert@univ-fcomte.fr; Scheifler, R.; Coeurdassier, M.; Vaufleury, A. de

    2012-08-01

    Although soil characteristics modulate metal mobility and bioavailability to organisms, they are often ignored in the risk assessment of metal transfer. This paper aims to determine the ability of chemical methods to assess and predict cadmium (Cd), lead (Pb) and zinc (Zn) environmental bioavailability to the land snail Cantareus aspersus. Snails were exposed in the laboratory for 28 days to 17 soils from around a former smelter. The soils were selected for their range of pH, organic matter, clay content, and Cd, Pb and Zn concentrations. The influence of soil properties on environmental availability (estimated using HF-HClO{sub 4}, EDTA, CaCl{sub 2}, NH{sub 4}NO{sub 3}, NaNO{sub 3}, free ion activity and total dissolved metal concentration in soil solution) and on environmental bioavailability (modelled using accumulation kinetics) was identified. Among the seven chemical methods, only the EDTA and the total soil concentration can be used to assess Cd and Pb environmental bioavailability to snails (r Superscript-Two {sub adj} = 0.67 and 0.77, respectively). For Zn, none of the chemical methods were suitable. Taking into account the influence of the soil characteristics (pH and CEC) allows a better prediction of Cd and Pb environmental bioavailability (r Superscript-Two {sub adj} = 0.82 and 0.83, respectively). Even though alone none of the chemical methods tested could assess Zn environmental bioavailability to snails, the addition of pH, iron and aluminium oxides allowed the variation of assimilation fluxes to be predicted. A conceptual and practical method to use soil characteristics for risk assessment is proposed based on these results. We conclude that as yet there is no universal chemical method to predict metal environmental bioavailability to snails, and that the soil factors having the greatest impact depend on the metal considered. - Highlights: Black-Right-Pointing-Pointer New approach to identify chemical methods able to predict metal bioavailability

  18. Predicting of bead undercut defects in high-speed gas metal arc welding (GMAW)

    Institute of Scientific and Technical Information of China (English)

    Wen-jing XU; Chuan-song WU; De-gang ZOU

    2008-01-01

    In the gas metal arc welding (GMAW) process, when the welding speed reaches a certain threshold, there will be an onset of weld bead undercut defects which limit the further increase of the welding speed. Establishing a mathematical model for high-speed GMAW to predict the tendency of bead undercuts is of great significance to pre-vent such defects. Under the action of various forces, the transferred metal from filler wire to the weld pool, and the geometry and dimension of the pool itself decide if the bead undercut occurs or not. The previous model simpli-fied the pool shape too much. In this paper, based on the actual weld pool geometry and dimension calculated from a numerical model, a hydrostatic model for liquid metal surface is used to study the onset of bead undercut defects in the high-speed welding process and the effects of dif-ferent welding parameters on the bead undercut tendency.

  19. Simplified prediction model for elastic modulus of particulate reinforced metal matrix composites

    Institute of Scientific and Technical Information of China (English)

    WANG Wen-ming; PAN Fu-sheng; LU Yun; ZENG Su-min

    2006-01-01

    Some structural parameters of the metal matrix composite, including particulate shape and distribution do not influence the elastic modulus. A prediction model for the elastic modulus of particulate reinforced metal matrix Al composite was developed and improved. Expressions of rigidity and flexibility of the rule of mixing were proposed. A five-zone model for elasticity performance calculation of the composite was proposed. The five-zone model is thought to be able to reflect the effects of the MMC interface on elastic modulus of the composite. The model overcomes limitations of the currently-understood rigidity and flexibility of the rule of mixing. The original idea of a five-zone model is to propose particulate/interface interactive zone and matrix/interface interactive zone. By integrating organically with the law of mixing, the new model is found to be capable of predicting the engineering elastic constants of the MMC composite.

  20. Constitutive Model for Multiaxial Ratcheting Predictions of Cyclic Softening Weld Metal

    Institute of Scientific and Technical Information of China (English)

    GAO Hong; CHEN Xu; JIAO Rong

    2005-01-01

    A series of fully reversed axial, torsional strain-controlled cyclic tests and two multiaxial ratcheting tests were conducted on weld metal specimens using an Instron8521 tension-torsional servo-controlled testing machine. The weld metal showed clear cyclic softening under axial, torsional and multiaxial loading. A modified kinematic hardening rule was proposed in which a multiaxial-loading-dependent parameter incorporated the radial evanescence term of the Burlet-Cailletaud mode with the Ohno-Wang kinematic hardening rule to predict the multiaxial ratcheting effects. The introduction of yield stress evolved with accumulated plasticity strain enables the model to predict cyclic plasticity behavior of cyclic softening or cyclic hardening materials. Thus modified model considers the isotropic hardening as well as kinematic hardening of yield surface, and it can present description of plasticity behavior and ratcheting of cyclic softening and cyclic hardening materials well under multiaxial loading.

  1. Prediction of metallic nano-optical trapping forces by finite element-boundary integral method.

    Science.gov (United States)

    Pan, Xiao-Min; Xu, Kai-Jiang; Yang, Ming-Lin; Sheng, Xin-Qing

    2015-03-01

    The hybrid of finite element and boundary integral (FE-BI) method is employed to predict nano-optical trapping forces of arbitrarily shaped metallic nanostructures. A preconditioning strategy is proposed to improve the convergence of the iterative solution. Skeletonization is employed to speed up the design and optimization where iteration has to be repeated for each beam configuration. The radiation pressure force (RPF) is computed by vector flux of the Maxwell's stress tensor. Numerical simulations are performed to validate the developed method in analyzing the plasmonic effects as well as the optical trapping forces. It is shown that the proposed method is capable of predicting the trapping forces of complex metallic nanostructures accurately and efficiently.

  2. Improvement of springback prediction of wide sheet metal air bending process

    Institute of Scientific and Technical Information of China (English)

    李建; 赵军; 孙红磊; 马瑞

    2008-01-01

    Accurate springback prediction of wide sheet metal air bending process is important to improve product quality and ensure the precision in dimension. The definition of elastic limit bend angle was proposed. Based on cantilever beam elastic deforming theory, the geometrical parameters of forming tools, sheet thickness and the material yielding strain were derived and validated by the finite element method (FEM). Employing the degree of elastic limit bend angle, the equation for springback prediction was constructed, the results calculated fit well with experimental data. Especially for the small bend angle, the predicted results by equation were applied to conduct the springback prediction and compensation in industries and give closer correlation to the experimental data than those calculated by engineering theory of plastic bending.

  3. Elastic properties of Ca-based metallic glasses predicted by first-principles simulations

    Energy Technology Data Exchange (ETDEWEB)

    Widom, M.; Sauerwine, B.; Cheung, A.M.; Poon, S.J.; Tong, P.; Louca, D.; Shiflet, G.J. (CM); (UV)

    2012-07-11

    First-principles simulations of Ca-based metallic glass-forming alloys yield sample amorphous structures whose structures can be compared to experiment and whose properties can be analyzed. In an effort to understand and control ductility, we investigate the elastic moduli. Calculated Poisson ratios depend strongly on alloying elements in a manner that correlates with ionicity (charge transfer). Consequently, we predict that alloying Ca with Mg and Zn should result in relatively ductile glasses compared to alloying with Ag, Cu, or Al. Experimental observations validate these predictions.

  4. PREDICTION OF MECHANICAL PROPERTY OF WHISKER REINFORCED METAL MATRIX COMPOSITE: PART-Ⅰ. MODEL AND FORMULATION

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on study of strain distribution in whisker reinforced metal matrix composites, an explicit precise stiffness tensor is derived. In the present theory, the effect of whisker orientation on the macro property of composites is considered, but the effect of random whisker position and the complicated strain field at whisker ends are averaged. The derived formula is able to predict the stiffness modulus of composites with arbitrary whisker orientation under any loading condition. Compared with the models of micro-mechanics, the present theory is competent for modulus prediction of actual engineering composites. The verification and application of the present theory are given in a subsequent paper published in the same issue.

  5. Predicting the composition of flux-cored wire claded metal by a neural network

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In this paper, an artificial neural network method that can predict the chemical composition of deposited weld metal by CO2 Shielded Flux-Cored Wire Surfacing was studied. It is found that artificial neural network is a good approach on studying welding metallurgy processes that cannot be described by conventional mathematical methods. In the same time we explored a new way to study the no-equilibrium welding metallurgy processes.

  6. Prediction of transmittance spectra for transparent composite electrodes with ultra-thin metal layers

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Zhao; Alford, T. L., E-mail: TA@asu.edu [School for Engineering of Matter, Transport, and Energy, Arizona State University, Tempe, Arizona 85287 (United States); Khorasani, Arash Elhami [ON Semiconductor Corp., Phoenix, Arizona 85005 (United States); Theodore, N. D. [CHD-Fab, Freescale Semiconductor Inc., Tempe, Arizona 85224 (United States); Dhar, A. [Intel Corp., 2501 NW 229th Ave, Hillsboro, Oregon 97124 (United States)

    2015-11-28

    Recent interest in indium-free transparent composite-electrodes (TCEs) has motivated theoretical and experimental efforts to better understand and enhance their electrical and optical properties. Various tools have been developed to calculate the optical transmittance of multilayer thin-film structures based on the transfer-matrix method. However, the factors that affect the accuracy of these calculations have not been investigated very much. In this study, two sets of TCEs, TiO{sub 2}/Au/TiO{sub 2} and TiO{sub 2}/Ag/TiO{sub 2}, were fabricated to study the factors that affect the accuracy of transmittance predictions. We found that the predicted transmittance can deviate significantly from measured transmittance for TCEs that have ultra-thin plasmonic metal layers. The ultrathin metal layer in the TCE is typically discontinuous. When light interacts with the metallic islands in this discontinuous layer, localized surface plasmons are generated. This causes extra light absorption, which then leads to the actual transmittance being lower than the predicted transmittance.

  7. Retention and mitigation of metals in sediment, soil, water, and plant of a newly constructed root-channel wetland (China) from slightly polluted source water.

    Science.gov (United States)

    Wang, Baoling; Wang, Yu; Wang, Weidong

    2014-01-01

    Constructed root-channel wetland (CRCW) is a term for pre-pond/wetland/post-pond complexes, where the wetland includes plant-bed/ditch landscape and root-channel structure. Source water out of pre-ponds flows through alternate small ditches and plant beds with root-channels via a big ditch under hydraulic regulation. Then source water flows into post-ponds to finish final polishing. This article aims to explore the potential of components of a pilot CRCW in China on mitigating metals in micro-polluted source water during its initial operation stage. We investigated six heavy metals (Cd, Cr, Cu, Ni, Zn, and Pb) in surface sediment, plant-bed subsurface soil, water, and aquatic plants during 2012-2013. Monitoring results showed that pond/ditch sediments and plant-bed soil retained a significant amount of Cr, Ni, and Zn with 93.1%, 72.4%, and 57.5% samples showing contamination factor above limit 1 respectively. Remarkably the high values of metal enrichment factor (EF) occurred in root-channel zones. Water monitoring results indicated that Ni, Zn, and Pb were removed by 78.5% (66.7%), 57.6% (59.6%), and 26.0% (7.5%) in east (west) wetland respectively. Mass balance estimation revealed that heavy metal mass in the pond/ditch sediments accounted for 63.30% and that in plant-bed soil 36.67%, while plant uptake occupied only 0.03%. The heavy metal accretion flux in sediments was 0.41 - 211.08 μg · cm(-2) · a(-1), less than that in plant-bed soil (0.73 - 543.94 μg · cm(-2) · a(-1)). The 1.83 ha wetland has retained about 86.18 kg total heavy metals within 494 days after operation. This pilot case study proves that constructed root-channel wetland can reduce the potential ecological risk of purified raw water and provide a new and effective method for the removal of heavy metals from drinking water sources.

  8. Effect of continuum damage mechanics on spring back prediction in metal forming processes

    Energy Technology Data Exchange (ETDEWEB)

    Nayebi, Ali; Shahabi, Mehdi [Shiraz University, Shiraz, Mollasadra (Iran, Islamic Republic of)

    2017-05-15

    The influence of considering the variations in material properties was investigated through continuum damage mechanics according to the Lemaitre isotropic unified damage law to predict the bending force and spring back in V-bending sheet metal forming processes, with emphasis on Finite element (FE) simulation considerations. The material constants of the damage model were calibrated through a uniaxial tensile test with an appropriate and convenient repeating strategy. Holloman’s isotropic and Ziegler’s linear kinematic hardening laws were employed to describe the behavior of a hardening material. To specify the ideal FE conditions for simulating spring back, the effect of the various numerical considerations during FE simulation was investigated and compared with the experimental outcome. Results indicate that considering continuum damage mechanics decreased the predicted bending force and improved the accuracy of spring back prediction.

  9. MetalPredator: a web server to predict iron-sulfur cluster binding proteomes.

    Science.gov (United States)

    Valasatava, Yana; Rosato, Antonio; Banci, Lucia; Andreini, Claudia

    2016-09-15

    The prediction of the iron-sulfur proteome is highly desirable for biomedical and biological research but a freely available tool to predict iron-sulfur proteins has not been developed yet. We developed a web server to predict iron-sulfur proteins from protein sequence(s). This tool, called MetalPredator, is able to process complete proteomes rapidly with high recall and precision. The web server is freely available at: http://metalweb.cerm.unifi.it/tools/metalpredator/ andreini@cerm.unifi.it Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  10. Fatigue Life Prediction of Metallic Materials Based on the Combined Nonlinear Ultrasonic Parameter

    Science.gov (United States)

    Zhang, Yuhua; Li, Xinxin; Wu, Zhenyong; Huang, Zhenfeng; Mao, Hanling

    2017-07-01

    The fatigue life prediction of metallic materials is always a tough problem that needs to be solved in the mechanical engineering field because it is very important for the secure service of mechanical components. In this paper, a combined nonlinear ultrasonic parameter based on the collinear wave mixing technique is applied for fatigue life prediction of a metallic material. Sweep experiments are first conducted to explore the influence of driving frequency on the interaction of two driving signals and the fatigue damage of specimens, and the amplitudes of sidebands at the difference frequency and sum frequency are tracked when the driving frequency changes. Then, collinear wave mixing tests are carried out on a pair of cylindrically notched specimens with different fatigue damage to explore the relationship between the fatigue damage and the relative nonlinear parameters. The experimental results show when the fatigue degree is below 65% the relative nonlinear parameter increases quickly, and the growth rate is approximately 130%. If the fatigue degree is above 65%, the increase in the relative nonlinear parameter is slow, which has a close relationship with the microstructure evolution of specimens. A combined nonlinear ultrasonic parameter is proposed to highlight the relationship of the relative nonlinear parameter and fatigue degree of specimens; the fatigue life prediction model is built based on the relationship, and the prediction error is below 3%, which is below the prediction error based on the relative nonlinear parameters at the difference and sum frequencies. Therefore, the combined nonlinear ultrasonic parameter using the collinear wave mixing method can effectively estimate the fatigue degree of specimens, which provides a fast and convenient method for fatigue life prediction.

  11. Fatigue Life Prediction of Metallic Materials Based on the Combined Nonlinear Ultrasonic Parameter

    Science.gov (United States)

    Zhang, Yuhua; Li, Xinxin; Wu, Zhenyong; Huang, Zhenfeng; Mao, Hanling

    2017-08-01

    The fatigue life prediction of metallic materials is always a tough problem that needs to be solved in the mechanical engineering field because it is very important for the secure service of mechanical components. In this paper, a combined nonlinear ultrasonic parameter based on the collinear wave mixing technique is applied for fatigue life prediction of a metallic material. Sweep experiments are first conducted to explore the influence of driving frequency on the interaction of two driving signals and the fatigue damage of specimens, and the amplitudes of sidebands at the difference frequency and sum frequency are tracked when the driving frequency changes. Then, collinear wave mixing tests are carried out on a pair of cylindrically notched specimens with different fatigue damage to explore the relationship between the fatigue damage and the relative nonlinear parameters. The experimental results show when the fatigue degree is below 65% the relative nonlinear parameter increases quickly, and the growth rate is approximately 130%. If the fatigue degree is above 65%, the increase in the relative nonlinear parameter is slow, which has a close relationship with the microstructure evolution of specimens. A combined nonlinear ultrasonic parameter is proposed to highlight the relationship of the relative nonlinear parameter and fatigue degree of specimens; the fatigue life prediction model is built based on the relationship, and the prediction error is below 3%, which is below the prediction error based on the relative nonlinear parameters at the difference and sum frequencies. Therefore, the combined nonlinear ultrasonic parameter using the collinear wave mixing method can effectively estimate the fatigue degree of specimens, which provides a fast and convenient method for fatigue life prediction.

  12. Predicted Realization of Cubic Dirac Fermion in Quasi-One-Dimensional Transition-Metal Monochalcogenides

    Science.gov (United States)

    Liu, Qihang; Zunger, Alex

    2017-04-01

    We show that the previously predicted "cubic Dirac fermion," composed of six conventional Weyl fermions including three with left-handed and three with right-handed chirality, is realized in a specific, stable solid state system that has been made years ago, but was not appreciated as a "cubically dispersed Dirac semimetal" (CDSM). We identify the crystal symmetry constraints and find the space group P 63/m as one of the two that can support a CDSM, of which the characteristic band crossing has linear dispersion along the principle axis but cubic dispersion in the plane perpendicular to it. We then conduct a material search using density functional theory, identifying a group of quasi-one-dimensional molybdenum monochalcogenide compounds AI(MoXVI)3 (AI=Na , K, Rb, In, Tl; XVI=S , Se, Te) as ideal CDSM candidates. Studying the stability of the A (MoX) 3 family reveals a few candidates such as Rb (MoTe) 3 and Tl (MoTe) 3 that are predicted to be resilient to Peierls distortion, thus retaining the metallic character. Furthermore, the combination of one dimensionality and metallic nature in this family provides a platform for unusual optical signature—polarization-dependent metallic vs insulating response.

  13. Adsorption performances and mechanisms of the newly synthesized N,N'-di (carboxymethyl) dithiocarbamate chelating resin toward divalent heavy metal ions from aqueous media

    Energy Technology Data Exchange (ETDEWEB)

    Jing Xiaosheng [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093 (China); Liu Fuqiang, E-mail: jogia@163.com [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093 (China) and Engineering Technology Research Center of Organic Toxic Substance Control and Resource Reuse of Jiangsu Province, Nanjing 210046 (China); Yang Xin; Ling Panpan; Li Lanjuan [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093 (China); Long Chao; Li Aimin [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093 (China); Engineering Technology Research Center of Organic Toxic Substance Control and Resource Reuse of Jiangsu Province, Nanjing 210046 (China)

    2009-08-15

    N,N'-di (carboxymethyl) dithiocarbamate chelating resin (PSDC) was synthesized by anchoring the chelating agent of N,N'-di (carboxymethyl) dithiocarbamate to the chloromethylated PS-DVB (Cl-PS-DVB) matrix, as a new adsorbent for removing divalent heavy metal ions from waste-stream. The physicochemical structures of Cl-PS-DVB and PSDC were elaborately characterized using Fourier transform infrared spectroscopy (FT-IR), elemental analysis (EA), and were further morphologically characterized using BET and BJH methods. The adsorption performances of PSDC towards heavy metals such as Cu(II), Pb(II) and Ni(II) were systematically investigated, based upon which the adsorption mechanisms were deeply exploited. For the above target, the classic batch adsorption experiments were conducted to explore the kinetics and isotherms of the removal processes with pH-value, initial concentration, temperature, and contact time as the controlling parameters. The kinetic and isotherm data could be well elucidated with Lagergren-second-order equation and Langmuir model respectively. The strong affinity of PSDC toward these target soft acids could be well demonstrated with the electrostatic attraction and chelating interaction caused by IDA moiety and sulphur which were namely soft bases on the concept of hard and soft acids and bases (HASB). Thermodynamic parameters, involving {Delta}H{sup o}, {Delta}S{sup o} and {Delta}G{sup o} were also calculated from graphical interpretation of the experimental data. The standard heats of adsorption ({Delta}H{sup o}) were found to be endothermic and the entropy change values ({Delta}S{sup o}) were calculated to be positive for the adsorption of Cu(II), Pb(II) and Ni(II) ions onto the tested adsorbents. Negative values of {Delta}G{sup o} indicated that adsorption processes for all tested metal ions onto PSDC were spontaneous.

  14. Prediction of the pKa's of aqueous metal ion +2 complexes.

    Science.gov (United States)

    Jackson, Virgil E; Felmy, Andrew R; Dixon, David A

    2015-03-26

    Aqueous metal ions play an important role in many areas of chemistry. The acidities of [Be(H2O)4](2+), [M(H2O)6](2+), M = Mg(2+), Mn(2+), Fe(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+), Cd(2+), and Hg(2+), and [M(H2O)n](2+), M = Ca(2+) and Sr(2+), n = 7 and 8, complexes have been predicted using density functional theory, second-order Møller-Plesset perturbation theory (MP2), and coupled cluster CCSD(T) theory in the gas phase. pKa's in aqueous solution were predicted by using self-consistent reaction field (SCRF) calculations with different solvation models. The most common binding motif of the majority of the metal +2 complexes is coordination number (CN) 6, with each hexaaquo cluster having reasonably high symmetry for the best arrangement of the water molecules in the first solvation shell. Be(2+) is tetracoordinated, but a second solvation shell of 8 waters is needed to predict the pKa. The Ca(2+) and Sr(2+) aquo clusters have a coordination number of 7 or 8 as found in terms of the energy of the reaction M(H2O)7(2+) + H2O → M(H2O)8(2+) and the pKa values. The calculated geometries are in reasonable agreement with experiment. The SCRF calculations with the conductor-like screening model (COSMO), and the conductor polarized continuum model (CPCM) using COSMO-RS radii, consistently agree best with experiment at the MP2/aug-cc-pVDZ and CCSD(T)/aug-cc-pVDZ levels of theory. The CCSD(T) level provides the most accurate pKa's, and the MP2 level also provides reliable predictions. Our predictions were used to elucidate the properties of metal +2 ion complexes. The pKa predictions provide confirmation of the size of the first solvation shell sizes. The calculations show that it is still difficult to predict pKa's using this cluster/implicit solvent approach to better than 1 pKa unit.

  15. Experimental Investigation and Prediction of Mechanical Properties of Friction Stir Welded Aluminium Metal Matrix Composite Plates

    Directory of Open Access Journals (Sweden)

    Yahya BOZKURT

    2012-12-01

    Full Text Available Friction stir welding (FSW is a relatively contemporary solid state welding process and has been employed in aerospace, railway, automotive and marine industries for joining of aluminum, magnesium, zinc, titanium, copper alloys, dissimilar metals and thermoplastics. The FSW process parameters such as tool rotation speed, tool traverse speed and tilt angle play an important role in deciding the joining quality. The present study defines the effect of FSW process on the tensile properties of the AA2124/SiC/25p metal matrix composite (MMC plates. Obtained results showed that the joint efficiency decreases by increasing the tool traverse speed while tool rotation speed was kept constant. Second contribution of this study is the application of decision tree technique to predict the tensile properties of friction stir welded MMC plates. It is seen that methodology can be applied with great accuracy.DOI: http://dx.doi.org/10.5755/j01.ms.18.4.3092

  16. Experimental Investigation and Prediction of Mechanical Properties of Friction Stir Welded Aluminium Metal Matrix Composite Plates

    Directory of Open Access Journals (Sweden)

    Yahya BOZKURT

    2012-12-01

    Full Text Available Friction stir welding (FSW is a relatively contemporary solid state welding process and has been employed in aerospace, railway, automotive and marine industries for joining of aluminum, magnesium, zinc, titanium, copper alloys, dissimilar metals and thermoplastics. The FSW process parameters such as tool rotation speed, tool traverse speed and tilt angle play an important role in deciding the joining quality. The present study defines the effect of FSW process on the tensile properties of the AA2124/SiC/25p metal matrix composite (MMC plates. Obtained results showed that the joint efficiency decreases by increasing the tool traverse speed while tool rotation speed was kept constant. Second contribution of this study is the application of decision tree technique to predict the tensile properties of friction stir welded MMC plates. It is seen that methodology can be applied with great accuracy.DOI: http://dx.doi.org/10.5755/j01.ms.18.4.3092

  17. Simple metal model for predicting uptake and chemical processes in sewage-fed aquaculture ecosystem

    DEFF Research Database (Denmark)

    Azanu, David; Jorgensen, Sven Erik; Darko, Godfred;

    2016-01-01

    This paper shows how a model can be used as an experimental tool to assess the processes in aqua chemistry that should be included in the model. The STELLA software was used to study the uptake of Cd, Pb, Cr, Cu and Hg from sewage-fed aquaculture. Model calibration revealed that feeding rate of 15......% was the best, which is also in accordance to the fish growth. The ratio of fish food was also calibrated to be 70% due to a food chain in the water and 30% due to a food chain in the sediment. This gave the lowest uncertainty of the model. The simple metal model was working acceptably well for Pb, Cu and Cd...... but not working properly for chromium and mercury. Additional processes, including precipitation of chromium and bio-magnification of methylmercury were introduced to explain concentration of chromium and mercury in fish. Comparison of measured and predicted metal concentration used for validation gave a linear...

  18. A Unified Model for the Prediction of Yield Strength in Particulate-Reinforced Metal Matrix Nanocomposites

    Directory of Open Access Journals (Sweden)

    F. A. Mirza

    2015-08-01

    Full Text Available Lightweighting in the transportation industry is today recognized as one of the most important strategies to improve fuel efficiency and reduce anthropogenic climate-changing, environment-damaging, and human death-causing emissions. However, the structural applications of lightweight alloys are often limited by some inherent deficiencies such as low stiffness, high wear rate and inferior strength. These properties could be effectively enhanced by the addition of stronger and stiffer reinforcements, especially nano-sized particles, into metal matrix to form composites. In most cases three common strengthening mechanisms (load-bearing effect, mismatch of coefficients of thermal expansion, and Orowan strengthening have been considered to predict the yield strength of metal matrix nanocomposites (MMNCs. This study was aimed at developing a unified model by taking into account the matrix grain size and porosity (which is unavoidable in the materials processing such as casting and powder metallurgy in the prediction of the yield strength of MMNCs. The Zener pinning effect of grain boundaries by the nano-sized particles has also been integrated. The model was validated using the experimental data of magnesium- and titanium-based nanocomposites containing different types of nano-sized particles (namely, Al2O3, Y2O3, and carbon nanotubes. The predicted results were observed to be in good agreement with the experimental data reported in the literature.

  19. Prediction of Behavior of Ceramic/Metal Composite Panels Under Two Consecutive Ballistic Impacts

    Science.gov (United States)

    Prakash, A.; Rajasankar, J.; Iyer, N. R.; Anandavalli, N.; Biswas, S. K.; Mukhopadhyay, A. K.

    2014-05-01

    This article presents a numerical investigation to predict the behavior of ceramic (Al2O3 99.5)/metal (Al5083 H116) composite panels under two consecutive high-velocity impacts of 7.62 mm sharp-nosed small projectiles. A numerical model is developed using the advanced nonlinear software AUTODYN. The aim of the study is to predict the impact behavior of ceramic/metal composite panels. The study mainly focuses on the effect of arrangement of front ceramic tiles having collinear and non-collinear joints on the impact damage pattern. The novelty of the study presented in this article is the prediction of high-velocity-impact response under two consecutive and closely spaced hits on composite panels carried out in a more realistic manner. Numerical responses, such as depth of penetration, and deformation in back plate and crack patterns, are found to match well with the experimental results. It is believed that the outcome of this study is helpful in the design of a ceramic tile joint arrangement to minimize damage in the target panel.

  20. Heavy metal pollution in Tianjin, China—its bioavailability prediction and mitigation practice

    Science.gov (United States)

    Sun, Hongwen; Wang, Ting; Zhang, Yanfeng; Jiang, Chunxiao; Wang, Jing

    2010-05-01

    Irrigation of sewage water has been applied for agriculture production in Tianjin for over 50 years, for Tianjin is a city lacking water resource. Based on the result of an extensive investigation on heavy metals in the farmland of Tianjin in 2005, 21 samples (including soil and lettuce) were collected from most the polluted areas along the three sewage rivers. Nine of the 21 soil samples exceeded the National Soil Quality Standard for cadmium (0.6 mg/kg) and 7 exceeded the standard for mercury (1.0 mg/kg). However, the heavy metal contents in lettuce did not correlate the heavy metal concentrations in soil. The bioavailability changed with soil properties. The part extracted by diethylene-triaminepentaacetic acid (DTPA) and another mixed extraction solvent, M3, were used to predict the bioavailability of heavy metals. The solvent extraction gave good prediction on Cd absorbance in lettuce, with correlative coefficient larger than 0.9. However, it failed for Hg. This may be because Hg is relatively volatile, and the absorption patterns are complex for Hg. To set up a mitigation method for heavy metal pollution in farm land, friendly to agricultural production, in-situ fixing strategy was adopted. Bacillus subtilis and Candida tropicalis were induced by ultraviolet (UV) radiation and HNO2 treatment to get mutated strains that can tolerate and accumulate higher level of cadmium. A strain of B38 from B. subtilis showed the highest Cd tolerance, and was used for further experiment. Though B38 could accumulate Cd from water solution, but it did not fix Cd in soil. This is due to that the amended microorganisms could not propagate well in the polluted soil. Novogro, which is produced from the waste of an enzyme factory, was selected out from several materials to amend together with B38. After the co-amendment of Novogro and B38, the DTPA extractable Cd decreased by 72%, and B38 could propagate efficiently as indicated by DGGE test. Applying conditions, such as amendment

  1. Life prediction of coated and uncoated metallic interconnect for solid oxide fuel cell applications

    Science.gov (United States)

    Liu, W. N.; Sun, X.; Stephens, E.; Khaleel, M. A.

    In this paper, we present an integrated experimental and modeling methodology in predicting the life of coated and uncoated metallic interconnect (IC) for solid oxide fuel cell (SOFC) applications. The ultimate goal is to provide cell designer and manufacture with a predictive methodology such that the life of the IC system can be managed and optimized through different coating thickness to meet the overall cell designed life. Crofer 22 APU is used as the example IC material system. The life of coated and uncoated Crofer 22 APU under isothermal cooling was predicted by comparing the predicted interfacial strength and the interfacial stresses induced by the cooling process from the operating temperature to room temperature, together with the measured oxide scale growth kinetics. It was found that the interfacial strength between the oxide scale and the Crofer 22 APU substrate decreases with the growth of the oxide scale, and that the interfacial strength for the oxide scale/spinel coating interface is much higher than that of the oxide scale/Crofer 22 APU substrate interface. As expected, the predicted life of the coated Crofer 22 APU is significantly longer than that of the uncoated Crofer 22 APU.

  2. Biodynamic modelling and the prediction of accumulated trace metal concentrations in the polychaete Arenicola marina

    Energy Technology Data Exchange (ETDEWEB)

    Casado-Martinez, M. Carmen, E-mail: c.casado-martinez@nhm.ac.u [Department of Zoology, The Natural History Museum, Cromwell Rd, London SW7 5BD (United Kingdom); Smith, Brian D. [Department of Zoology, The Natural History Museum, Cromwell Rd, London SW7 5BD (United Kingdom); DelValls, T. Angel [Unesco UNITWIN Wicop Chair, Department of Physical-Chemistry, University of Cadiz, Poligono Industrial Rio San Pedro s/n, C.P. 11510 Puerto Real (Cadiz) (Spain); Luoma, Samuel N. [John Muir Institute of the Environment, University of California at Davis, Davis, CA 95616 (United States); Rainbow, Philip S. [Department of Zoology, The Natural History Museum, Cromwell Rd, London SW7 5BD (United Kingdom)

    2009-10-15

    The use of biodynamic models to understand metal uptake directly from sediments by deposit-feeding organisms still represents a special challenge. In this study, accumulated concentrations of Cd, Zn and Ag predicted by biodynamic modelling in the lugworm Arenicola marina have been compared to measured concentrations in field populations in several UK estuaries. The biodynamic model predicted accumulated field Cd concentrations remarkably accurately, and predicted bioaccumulated Ag concentrations were in the range of those measured in lugworms collected from the field. For Zn the model showed less but still good comparability, accurately predicting Zn bioaccumulation in A. marina at high sediment concentrations but underestimating accumulated Zn in the worms from sites with low and intermediate levels of Zn sediment contamination. Therefore, it appears that the physiological parameters experimentally derived for A. marina are applicable to the conditions encountered in these environments and that the assumptions made in the model are plausible. - Biodynamic modelling predicts accumulated field concentrations of Ag, Cd and Zn in the deposit-feeding polychaete Arenicola marina.

  3. Prediction and determination of both friction coefficient and forming force on sheet metal deep—drawing

    Institute of Scientific and Technical Information of China (English)

    Junxiang; YonglinKang; 等

    2002-01-01

    On the basis of the criterion of no-wrinkle,the principle and method of prediction and determination of both friction coefficient and forming force on sheet metal deep-drawing are put forward,and proved it's expedience and practicability.They are suitable for as sessment of lubricant properties.Friction coefficient and forming force are a function of material parameter,design parameter and process parameter,especially relative prevent wrinkle blank-holder force.Product of both friction coefficient and prevent wrinkle blank-holder force is only function of process parameter η after determining material parameter and design parameter.

  4. Prediction and determination of both friction coefficient and forming force on sheet metal deep-drawing

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    On the basis of the criterion of no-wrinkle, the principle and method of prediction and determination of both friction coefficientand forming force on sheet metal deep-drawing are put forward, and proved it's expedience and practicability. They are suitable for assessment of lubricant properties. Friction coefficient and forming force are a function of material parameter, design parameter and process parameter, especially relative prevent wrinkle blank-holder force. Product of both friction coefficient and prevent wrinkle blank-holder force isonly function of process parameter after determining material parameter and design parameter.

  5. Simplification and improvement of prediction model for elastic modulus of particulate reinforced metal matrix composite

    Institute of Scientific and Technical Information of China (English)

    WANG Wen-ming; PAN Fu-sheng; LU Yun; ZENG Su-min

    2006-01-01

    In this paper, we proposed a five-zone model to predict the elastic modulus of particulate reinforced metal matrix composite. We simplified the calculation by ignoring structural parameters including particulate shape, arrangement pattern and dimensional variance mode which have no obvious influence on the elastic modulus of a composite, and improved the precision of the method by stressing the interaction of interfaces with pariculates and maxtrix of the composite. The five- zone model can reflect effects of interface modulus on elastic modulus of composite. It overcomes limitations of expressions of rigidity mixed law and flexibility mixed law. The original idea of five zone model is to put forward the particulate/interface interactive zone and matrix/interface interactive zone. By organically integrating the rigidity mixed law and flexibility mixed law,the model can predict the engineering elastic constant of a composite effectively.

  6. Optimization and Prediction of Ultimate Tensile Strength in Metal Active Gas Welding.

    Science.gov (United States)

    Ampaiboon, Anusit; Lasunon, On-Uma; Bubphachot, Bopit

    2015-01-01

    We investigated the effect of welding parameters on ultimate tensile strength of structural steel, ST37-2, welded by Metal Active Gas welding. A fractional factorial design was used for determining the significance of six parameters: wire feed rate, welding voltage, welding speed, travel angle, tip-to-work distance, and shielded gas flow rate. A regression model to predict ultimate tensile strength was developed. Finally, we verified optimization of the process parameters experimentally. We achieved an optimum tensile strength (558 MPa) and wire feed rate, 19 m/min, had the greatest effect, followed by tip-to-work distance, 7 mm, welding speed, 200 mm/min, welding voltage, 30 V, and travel angle, 60°. Shield gas flow rate, 10 L/min, was slightly better but had little effect in the 10-20 L/min range. Tests showed that our regression model was able to predict the ultimate tensile strength within 4%.

  7. Predicting catalyst-support interactions between metal nanoparticles and amorphous silica supports

    Science.gov (United States)

    Ewing, Christopher S.; Veser, Götz; McCarthy, Joseph J.; Lambrecht, Daniel S.; Johnson, J. Karl

    2016-10-01

    Metal-support interactions significantly affect the stability and activity of supported catalytic nanoparticles (NPs), yet there is no simple and reliable method for estimating NP-support interactions, especially for amorphous supports. We present an approach for rapid prediction of catalyst-support interactions between Pt NPs and amorphous silica supports for NPs of various sizes and shapes. We use density functional theory calculations of 13 atom Pt clusters on model amorphous silica supports to determine linear correlations relating catalyst properties to NP-support interactions. We show that these correlations can be combined with fast discrete element method simulations to predict adhesion energy and NP net charge for NPs of larger sizes and different shapes. Furthermore, we demonstrate that this approach can be successfully transferred to Pd, Au, Ni, and Fe NPs. This approach can be used to quickly screen stability and net charge transfer and leads to a better fundamental understanding of catalyst-support interactions.

  8. Inactivation of two newly identified tobacco heavy metal ATPases leads to reduced Zn and Cd accumulation in shoots and reduced pollen germination

    Science.gov (United States)

    Hermand, Victor; Julio, Emilie; Dorlhac de Borne, François; Punshon, Tracy; Ricachenevsky, Felipe K; Bellec, Arnaud; Gosti, Françoise; Berthomieu, Pierre

    2015-01-01

    Cadmium (Cd) is a non-essential heavy metal, which is classified as a “known human carcinogen” by the International Agency for Research on Cancer (IARC). Understanding the mechanisms controlling Cd distribution in planta is essential to develop phytoremediation approaches as well as for food safety. Unlike most other plants, tobacco (Nicotiana tabacum) plants translocate most of the Cd taken up from the soil, out of the roots and into the shoots, leading to high Cd accumulation in tobacco shoots. Two orthologs to the Arabidopsis thaliana HMA2 and HMA4 Zn and Cd ATPases that are responsible for zinc (Zn) and Cd translocation from roots to shoots were identified in tobacco and sequenced. These genes, named NtHMAα and NtHMAβ, were more highly expressed in roots than in shoots. NtHMAα was expressed in the vascular tissues of both roots and leaves as well as in anthers. No visual difference was observed between wild-type plants and plants in which the NtHMAα and NtHMAβ genes were either mutated or silenced. These mutants showed reduced Zn and Cd accumulation in shoots as well as increased Cd tolerance. When both NtHMA genes were silenced, plant development was altered and pollen germination was severely impaired due to Zn deficiency. Interestingly, seeds from these lines also showed decreased Zn concentration but increased iron (Fe) concentration. PMID:24760325

  9. Preconcentration and determination of trace metal ions from aqueous samples by newly developed gallic acid modified Amberlite XAD-16 chelating resin.

    Science.gov (United States)

    Sharma, R K; Pant, Parul

    2009-04-15

    Gallic acid was immobilized on Amberlite XAD-16 by coupling it through -N=N group. The resulting chelating resin Amberlite XAD-16 gallic acid, characterized by thermogravimetric analysis (TGA), infrared (IR) spectra and BET analysis, was used to preconcentrate Cr(III), Mn(II),Fe(III),Co(II), Ni(II) and Cu(II)ions. The resin was employed for the preconcentration of the metal ions present in river water and industrial area aqueous samples. Several parameters like effect of pH, effect of time, effect of sample volume and flow rate of sample were investigated. The sorption capacities for the resin were 216 micromol g(-1), 180 micromol g(-1), 403 micromol g(-1), 281 micromol g(-1), 250 micromol g(-1) and 344 micromol g(-1) for Cr(III), Mn(II), Fe(III), Co(II), Ni(II) and Cu(II) respectively. The preconcentration factors for Cr(III), Mn(II), Fe(III), Ni(II), Co(II) and Cu(II) were found out to be 300, 200, 400, 285.7, 300 and 400 respectively. The effect of various interfering ions was also studied. Results were validated by using standard addition method for river water sample.

  10. Ductile damage prediction in metal forming processes: Advanced modeling and numerical simulation

    Science.gov (United States)

    Saanouni, K.

    2013-05-01

    This paper describes the needs required in modern virtual metal forming including both sheet and bulk metal forming of mechanical components. These concern the advanced modeling of thermo-mechanical behavior including the multiphysical phenomena and their interaction or strong coupling, as well as the associated numerical aspects using fully adaptive simulation strategies. First a survey of advanced constitutive equations accounting for the main thermomechanical phenomena as the thermo-elasto-plastic finite strains with isotropic and kinematic hardenings fully coupled with ductile damage will be presented. Only the macroscopic phenomenological approach with state variables (monoscale approach) will be discussed in the general framework of the rational thermodynamics for generalized micromorphic continua. The micro-macro (multi-scales approach) in the framework of polycrystalline inelasticity is not presented here for the sake of shortness but will be presented during the oral presentation. The main numerical aspects related to the resolution of the associated initial and boundary value problem will be outlined. A fully adaptive numerical methodology will be briefly described and some numerical examples will be given in order to show the high predictive capabilities of this adaptive methodology for virtual metal forming simulations.

  11. Mass-loss predictions for evolved very metal-poor massive stars

    CERN Document Server

    Muijres, Lianne; de Koter, A; Hirschi, R; Langer, N; Yoon, S -C

    2012-01-01

    (shortened) The first couple of stellar generations may have been massive, of order 100 Msun, and to have played a dominant role in galaxy formation and the chemical enrichment of the early Universe. Some fraction of these objects may have died as pair-instability supernovae or gamma-ray bursts. The winds if these stars may have played an important role in determining these outcomes. As the winds are driven by radiation pressure on spectral lines, their strengths are expected to vary with metallicity. Until now, most mass-loss predictions for metal-poor O-type stars have assumed a scaled-down solar-abundance pattern. However, Population III evolutionary tracks show significant surface enrichment through rotational mixing of CNO-processed material, because even metal-poor stars switch to CNO-burning early on. We address the question of whether the CNO surface enhanced self-enrichment in the first few generations of stars could impact their mass-loss properties. For this, we employ Monte Carlo simulations to es...

  12. Low circulating CD4(+) CD25(+) Foxp3(+) T regulatory cell levels predict miscarriage risk in newly pregnant women with a history of failure.

    Science.gov (United States)

    Winger, Edward E; Reed, Jane L

    2011-10-01

    PROBLEM  The purpose of this study was to determine whether quantification of peripheral blood Treg cell levels could be used as an indicator of miscarriage risk in newly pregnant women with a history of immunologic reproductive failure. METHOD OF STUDY  Fifty-four pregnant women with a history of immunologic infertility and/or pregnancy loss were retrospectively evaluated (mean age: 36.7 ± 4.9 years, 2.8 ± 2.5 previous miscarriages; 1.5 ± 1.9 previous IVF failures). Twenty-three of these women experienced another first trimester miscarriage, and 31 of these women continued their current pregnancies past 12 weeks ('pregnancy success'). The following immunologic parameters were assessed in the first trimester: NK cell 50:1 cytotoxicity, CD56(+)  16(+)  CD3(-) (NK), CD56(+)  CD3(+) (NKT), TNFα/IL-10, IFNγ/IL-10, CD4(+)  CD25(-) Foxp3(+) , total CD4(+)  Foxp3(+) (CD4(+ ) CD25(+)  Foxp3 plus CD25(- ) Foxp3(+) ), and CD4(+)  CD25(+)  Foxp3(+) levels. RESULTS  Patients with successful ongoing pregnancies experienced a mean (CD4(+)  CD25(+)  Foxp3(+) ) 'Treg' level of 0.72 ± 0.52%, while those that miscarried in the first trimester experienced a mean Treg level of 0.37 ± 0.29% (P = 0.005). Markers not significantly different between the loss and success groups were NK 50:1 cytotoxicity (P = 0.63), CD56(+)  16(+)  3(+) NK cells (P = 0.63), CD56(+)  3(+)   NKT (P = 0.30), TNFα(+) IL-10(+) (P = 0.13), IFNg(+) IL-10(+) (P = 0.63), and CD4(+)  25(-)  Foxp3(+) cells (P = 0.10), although total CD4(+)  Foxp3(+) levels remained significant (P = 0.02) and CD4(+)  25(+) Foxp3(+) showed the most significant difference (P = 0.005). Mean day of blood draw was 49.2 ± 36.1 days pregnant (median 39.0 days). In addition, patients with a low Treg level (0.7%) in the first trimester [44% (15/34) versus 80% (16/20); P = 0.01]. Of the 18 successful pregnancies with sequential Treg

  13. Geriatric Assessment to Predict Survival and Risk of Serious Adverse Events in Elderly Newly Diagnosed Multiple Myeloma Patients: A Multicenter Study in China

    Science.gov (United States)

    Zhong, Yu-Ping; Zhang, Yi-Zhuo; Liao, Ai-Jun; Li, Su-Xia; Tian, Chen; Lu, Jin

    2017-01-01

    Background: Elderly multiple myeloma (MM) patients often tend to suffer a variety of diseases, so the treatment of choice is very difficult for the elderly myeloma patients. The overall survival (OS) time and side effects with elderly patients are unclear in China. The study tried to find out the role of geriatric assessment in the Chinese elderly MM. Methods: We retrospectively analyzed the data of 628 newly diagnosed patients from six hospitals from June 2011 to June 2013. A geriatric assessment had been performed to assess comorbidities, cognitive, and physical status for these patients. The primary endpoint was to evaluate different physical states of elderly patients with OS time and treatment-related side effects. Results: An additive scoring system (range: 0–5), based on age, Katz's Activity of Daily Living (ADL) and Lawton's Instrumental Activity of Daily Living (IADL) ≤5 and Charlson Comorbidity Index (CCI) was developed to identify three groups: fit (score = 0); intermediate-fitness (score = 1); and frail (score ≥2). The 3-year OS was 63% in fit patients, 63% in intermediate-fitness patients, and 49% in frail patients ≥3 hematologic adverse events (AEs) were documented in 45 (35.4%) fit, 34 (34%) intermediate-fitness, and 121 (30.2%) frail patients. The risk of a grade ≥3 hematologic AEs was not significantly increase in intermediate-fitness (hazard ratios [HR]: 0.99, 95% confidence interval [CI]: 0.54–1.47, P = 1.000) and in frail patients (HR: 1.16, 95% CI: 0.70–1.93, P = 0.558) compared with fit ones. Conclusions: MM occurs earlier in life and being advanced when the diagnosis is made in the mainland of China. The overall survival in frailty with International Staging System (ISS) II/III was the worst in all patients. PMID:28091402

  14. Prediction and measurement of multi-metal electrodeposition rates and efficiencies in aqueous acidic chloride media

    Energy Technology Data Exchange (ETDEWEB)

    Pilone, D. [Department of Chemical Engineering, Imperial College London, London SW7 2AZ (United Kingdom); Kelsall, G.H. [Department of Chemical Engineering, Imperial College London, London SW7 2AZ (United Kingdom)]. E-mail: g.kelsall@imperial.ac.uk

    2006-05-05

    A novel process is being developed for metal recovery from waste electrical and electronic equipment (WEEE) and involving a leach reactor coupled to an electrochemical reactor. Metals such as Ag, Au, Cu, Pb, Pd, Sn, etc. are dissolved from shredded WEEE in an acidic aqueous chloride electrolyte by oxidizing them with aqueous dissolved chlorine species. In the electrochemical reactor: (i) chlorine is generated at the anode for use as the oxidant in the leach reactor, and, simultaneously (ii) at the cathode, the dissolved metals are electrodeposited from the leach solution. The Butler-Volmer equation was used to provide predictions of the electrode potential dependences of partial current densities, and hence total current densities, current efficiencies and alloy compositions, for acidic aqueous chloride electrolytes containing Ag(I), Au(III), Cu(II), Fe(III), Pb(II), Pd(IV) and Sn(IV) species, together with dissolved chlorine. With judicious choice of kinetic parameters, the predicted total current density-electrode potential behaviour of such solutions was in good agreement with experimental data for a rotating Pt disc electrode. Reduction of dissolved chlorine at a Pt rotating disc electrode exhibited mass transport controlled behaviour, in agreement with Levich's equation over the potential range 0.3-0.9 V (SHE). This could form the basis of a linear sensor, possibly using a microelectrode for measurement and control of the dissolved chlorine concentration in the efflux of leach reactors and inlet to cathodes of the electrowinning reactors, in the envisaged process.

  15. On the development of a strength prediction methodology for fibre metal laminates in pin bearing

    Science.gov (United States)

    Krimbalis, Peter Panagiotis

    The development of Fibre Metal Laminates (FMLs) for application into aerospace structures represents a paradigm shift in airframe and material technology. By consolidating both monolithic metallic alloys and fibre reinforced composite layers, a new material structure is born exhibiting desired qualities emerging from its heterogeneous constituency. When mechanically fastened via pins, bolts and rivets, these laminated materials develop damage and ultimately fail via mechanisms that were not entirely understood and different than either their metallic or composite constituents. The development of a predictive methodology capable of characterizing how FMLs fastened with pins behave and fail would drastically reduce the amount of experimentation necessary for material qualification and be an invaluable design tool. The body of this thesis discusses the extension of the characteristic dimension approach to FMLs and the subsequent development of a new failure mechanism as part of a progressive damage finite element (FE) modeling methodology with yielding, delamination and buckling representing the central tenets of the new mechanism. This yielding through delamination buckling (YDB) mechanism and progressive FE model were investigated through multiple experimental studies. The experimental investigations required the development of a protocol with emphasis on measuring deformation on a local scheme in addition to a global one. With the extended protocol employed, complete characterization of the material response was possible and a new definition for yield in a pin bearing configuration was developed and subsequently extended to a tensile testing configuration. The performance of this yield definition was compared directly to existing definitions and was shown to be effective in both quasi-isotropic and orthotropic materials. The results of the experiments and FE simulations demonstrated that yielding (according to the new definition), buckling and delamination

  16. The way to cover prediction for cytotoxicity for all existing nano-sized metal oxides by using neural network method.

    Science.gov (United States)

    Fjodorova, Natalja; Novic, Marjana; Gajewicz, Agnieszka; Rasulev, Bakhtiyor

    2017-05-01

    The regulatory agencies should fulfil the data gap in toxicity for new chemicals including nano-sized compounds, like metal oxides nanoparticles (MeOx NPs) according to the registration, evaluation, authorisation and restriction of chemicals (REACH) legislation policy. This study demonstrates the perspective capability of neural network models for prediction of cytotoxicity of MeOx NPs to bacteria Escherichia coli (E. coli) for the widest range of metal oxides extracted from Periodic table. The counter propagation artificial neural network (CP ANN) models for prediction of cytotoxicity of MeOx NPs for data sets of 17, 36 and 72 metal oxides were employed in the study. The cytotoxicity of studied metal oxide NPs was correlated with (i) χ-metal electronegativity (EN) by Pauling scale and composition of metal oxides characterised by (ii) number of metal atoms in oxide, (iii) number of oxygen atoms in oxide and (iv) charge of metal cation in oxide. The paper describes the models in context of five OECD principles of validation models accepted for regulatory use. The recommendations were done for the minimal number of cytotoxicity tests needs for evaluation of the large set of MeOx with different oxidation states. The methodology is expected to be useful for potential hazard assessment of MeOx NPs and prioritisation for further testing and risk assessment.

  17. Volatile heavy metal mobility in silicate liquids: Implications for volcanic degassing and eruption prediction

    Science.gov (United States)

    MacKenzie, Jason M.; Canil, Dante

    2008-05-01

    The volatilization of Cd, Re, Tl, Pb, Sb and Te from melts in the system CaO-MgO-Al 2O 3-SiO 2 (CMAS) and Na 2O-MgO-Al 2O 3-SiO 2 (NMAS) has been investigated at 0.1 MPa and 1200-1350 °C. Experiments were conducted in air using metal-doped melts in Pt crucibles. Analysis of quenched glasses by Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS) normal to the melt/gas interface produced concentration profiles for Cd, Re, Tl, Pb, Sb and Te to which a semi-infinite one-dimensional diffusion model could be applied to extract diffusion coefficients ( D). The melt was also doped with Cu, Zn, In, Mo, Sn and W but concentration profiles for these metals did not develop. In the CMAS composition at 1300 °C, the fastest diffusing element was Cd having a log DCd = - 6.5 ± 0.2. The slowest element was Re with log DRe = - 7.5 ± 0.3. Diffusivities of Sb, Te, Pb and Tl have intermediate values where log DSb = - 7.1 ± 0.1, log DTe = - 7.2 ± 0.3, log DPb = - 7.1 ± 0.2, log DTl = - 7.0 ± 0.2 cm 2/s. In the NMAS composition, log DRe = - 6.5 ± 0.2, log DSb = - 6.0 ± 0.2, log DPb = - 6.1 ± 0.1, log DTl = - 5.8 ± 0.2 cm 2/s (values for Cd and Te were not determined). Differences in diffusivity of volatile heavy metal ions to a melt-gas interface lead to significant fractionation between these metals in magmas during degassing. Given the observed differences in Cd and Re diffusivities in the CMAS composition, we predict an increase in the normalized Cd/Re ratio in the gas phase with increasing bubble growth rate. Monitoring of the Cd/Re ratios in aerosols from degassing volcanoes may provide a tool for predicting volcanic eruption.

  18. Predictive modeling of Time-Temperature-Transformation diagram of metallic glasses based on atomistically-informed classical nucleation theory.

    Science.gov (United States)

    Sato, Yuji; Nakai, Chiaki; Wakeda, Masato; Ogata, Shigenobu

    2017-08-03

    Theoretical prediction of glass forming ability (GFA) of metallic alloys is a key process in exploring metallic alloy compositions with excellent GFA and thus with the ability to form a large-sized bulk metallic glass. Molecular dynamics (MD) simulation is a promising tool to achieve a theoretical prediction. However, direct MD prediction continues to be challenging due to the time-scale limitation of MD. With respect to practical bulk metallic glass alloys, the time necessary for quenching at a typical cooling rate is five or more orders of magnitude higher than that at the MD time-scale. To overcome the time-scale issue, this study proposes a combined method of classical nucleation theory and MD simulations. The method actually allows to depict the time-temperature-transformation (TTT) diagram of the bulk metallic glass alloys. The TTT directly provides a prediction of the critical cooling rate and GFA. Although the method assumes conventional classical nucleation theory, all the material parameters appearing in the theory were determined by MD simulations using realistic interatomic potentials. The method is used to compute the TTT diagrams and critical cooling rates of two Cu-Zr alloy compositions (Cu50Zr50 and Cu20Zr80). The results indicate that the proposed method reasonably predicts the critical cooling rate based on the computed TTT.

  19. Empirically Constrained Predictions for Metal-Line Emission from the Circumgalactic Medium

    CERN Document Server

    Corlies, Lauren

    2016-01-01

    The circumgalactic medium (CGM) remains one of the least constrained components of galaxies and as such has significant potential for advancing galaxy formation theories. In this work, we vary the extragalactic ultraviolet background for a high-resolution cosmological simulation of a Milky Way-like galaxy and examine the effect on the absorption and emission properties of metals in the CGM. We find that a reduced quasar background brings the column density predictions into better agreement with recent data. Similarly, when the observationally derived physical properties of the gas are compared to the simulation, we find that the simulation gas is always at temperatures approximately 0.5 dex higher. Thus, similar column densities can be produced from fundamentally different gas. However, emission maps can provide complementary information to the line-of-sight column densities to better derive gas properties. From the simulations, we find that the brightest emission is less sensitive to the extragalactic backgr...

  20. Theoretical prediction of half metallic ferromagnetic full-Heusler alloys Cs2CrGe

    Science.gov (United States)

    Cherid, S.; Benstaali, W.; Abbad, A.; Bentata, S.; Lantri, T.; Abbar, B.

    2017-07-01

    The structural, electronic and elastic properties of full-Heusler alloys Cs2CrGe are examined in this study using FP-LAPW method based on density functional theory. Results of our calculations predict that the Hg2CuTi-type structure is more stable than the Cu2MnAl-type structure and that the ground state of this alloy is ferromagnetic. The band structure of Cs2CrGe shows half metallic behavior for the two approaches GGA and mBJ-GGA with an indirect band gap. The total magnetic moment calculated is in good agreement with the Slater-Pauling rule for full-Heusler alloys with an important magnetic moment equal to 4 μB. Elastic properties indicate that our compound is ductile, anisotropic and not too rigid.

  1. Theoretical prediction and experimental realization of transition metal doped rutiles as diluted magnetic semiconductors

    Institute of Scientific and Technical Information of China (English)

    GU Yousong; LI Jianmin; ZHAN Xiaoyuan; ZHANG Xiaomei; FENG Ziqi; ZHANG Yue

    2006-01-01

    First principle calculations have been performed to study the electron structures and magnetic properties of transition metal doped rutiles in order to predict room temperature diluted magnetic semiconductors. Different doping configurations have been calculated to find the preferred doping site. The ground state energies of both FM and AFM states have been calculated to study the magnetic coupling between the dopants. The calculation results show the Co doped rutile has a Curie temperature of 1438 K. Co doped rutile films have been prepared on Si substrate by magnetron sputtering. X-ray dif fraction results show that the deposited film is rutile. Hysteresis loop curves measured by vibration sample magnetization show that the film is ferromagnetic at root temperature.

  2. Evolutionary Analysis Predicts Sensitive Positions of MMP20 and Validates Newly- and Previously-Identified MMP20 Mutations Causing Amelogenesis Imperfecta

    Directory of Open Access Journals (Sweden)

    Barbara Gasse

    2017-06-01

    Full Text Available Amelogenesis imperfecta (AI designates a group of genetic diseases characterized by a large range of enamel disorders causing important social and health problems. These defects can result from mutations in enamel matrix proteins or protease encoding genes. A range of mutations in the enamel cleavage enzyme matrix metalloproteinase-20 gene (MMP20 produce enamel defects of varying severity. To address how various alterations produce a range of AI phenotypes, we performed a targeted analysis to find MMP20 mutations in French patients diagnosed with non-syndromic AI. Genomic DNA was isolated from saliva and MMP20 exons and exon-intron boundaries sequenced. We identified several homozygous or heterozygous mutations, putatively involved in the AI phenotypes. To validate missense mutations and predict sensitive positions in the MMP20 sequence, we evolutionarily compared 75 sequences extracted from the public databases using the Datamonkey webserver. These sequences were representative of mammalian lineages, covering more than 150 million years of evolution. This analysis allowed us to find 324 sensitive positions (out of the 483 MMP20 residues, pinpoint functionally important domains, and build an evolutionary chart of important conserved MMP20 regions. This is an efficient tool to identify new- and previously-identified mutations. We thus identified six functional MMP20 mutations in unrelated families, finding two novel mutated sites. The genotypes and phenotypes of these six mutations are described and compared. To date, 13 MMP20 mutations causing AI have been reported, making these genotypes and associated hypomature enamel phenotypes the most frequent in AI.

  3. Optimization and Prediction of Ultimate Tensile Strength in Metal Active Gas Welding

    Directory of Open Access Journals (Sweden)

    Anusit Ampaiboon

    2015-01-01

    Full Text Available We investigated the effect of welding parameters on ultimate tensile strength of structural steel, ST37-2, welded by Metal Active Gas welding. A fractional factorial design was used for determining the significance of six parameters: wire feed rate, welding voltage, welding speed, travel angle, tip-to-work distance, and shielded gas flow rate. A regression model to predict ultimate tensile strength was developed. Finally, we verified optimization of the process parameters experimentally. We achieved an optimum tensile strength (558 MPa and wire feed rate, 19 m/min, had the greatest effect, followed by tip-to-work distance, 7 mm, welding speed, 200 mm/min, welding voltage, 30 V, and travel angle, 60°. Shield gas flow rate, 10 L/min, was slightly better but had little effect in the 10–20 L/min range. Tests showed that our regression model was able to predict the ultimate tensile strength within 4%.

  4. Models to Predict the Viscosity of Metal Injection Molding Feedstock Materials as Function of Their Formulation

    Directory of Open Access Journals (Sweden)

    Joamin Gonzalez-Gutierrez

    2016-05-01

    Full Text Available The viscosity of feedstock materials is directly related to its processability during injection molding; therefore, being able to predict the viscosity of feedstock materials based on the individual properties of their components can greatly facilitate the formulation of these materials to tailor properties to improve their processability. Many empirical and semi-empirical models are available in the literature that can be used to predict the viscosity of polymeric blends and concentrated suspensions as a function of their formulation; these models can partly be used also for metal injection molding binders and feedstock materials. Among all available models, we made a narrow selection and used only simple models that do not require knowledge of molecular weight or density and have parameters with physical background. In this paper, we investigated the applicability of several of these models for two types of feedstock materials each one with different binder composition and powder loading. For each material, an optimal model was found, but each model was different; therefore, there is not a universal model that fits both materials investigated, which puts under question the underlying physical meaning of these models.

  5. Prediction of new crystal structure phases in metal borides: a lithium monoboride analog to MgB2

    OpenAIRE

    Kolmogorov, Aleksey N.; Curtarolo, Stefano

    2006-01-01

    Modern compound prediction methods can efficiently screen large numbers of crystal structure phases and direct the experimental search for new materials. One of the most challenging problems in alloy theory is the identification of stable phases with a never seen prototype; such predictions do not always follow rational strategies. While performing ab initioa data mining of intermetallic compounds we made an unexpected discovery: even in such a well-studied class of systems as metal borides t...

  6. Establishment of Neural Network Prediction Model for Terminative Temperature Based on Grey Theory in Hot Metal Pretreatment

    Institute of Scientific and Technical Information of China (English)

    ZHANGHui—ning; XUAn-jun; CUIJian; HEDong—feng; TIANNai——yuan

    2012-01-01

    In order to improve the accuracy of model for terminative temperature in steelmaking, it is necessary to predict and control before decarburization. Thus, an optimization neural network model of terminative temperature in the process of dephosphorization by laying correlative degree weights to all input factors related was used. Then sim- ulation experiment of model newly established is conducted utilizing 210 data from a domestic steel plant. The results show that hit rate arrives at 56.45~~ when error is within plus or minus 5%, and the value is 100% when within ~10%. Comparing to the traditional neural network prediction model, the accuracy almost increases by 6. 839o//oo. Thus, the simulation prediction fits the real perfectly, which accounts for that neural network model for terminative tempera- ture based on grey theory can reflect accurately the practice in dephosphorization. Naturally, this method is effective and nraeticahle.

  7. Prediction of residual stress and distortion of ferrous and non-ferrous metals: Current status and future developments

    Science.gov (United States)

    Denis, Sabine; Archambault, Pierre; Gautier, Elisabeth; Simon, André; Beck, Gérard

    2002-02-01

    The quantitative prediction of the consequences of a heat treatment, in terms of microstructure and hardness, residual stresses and distortions, implies a thorough knowledge of the coupled thermal, metallurgical, and mechanical phenomena that occur during the treatment and their modeling. Recent progress made in that field for metallic alloys (steels, aluminum alloys, and titanium alloys) is reviewed through different examples.

  8. Development of a Prediction Model Based on RBF Neural Network for Sheet Metal Fixture Locating Layout Design and Optimization.

    Science.gov (United States)

    Wang, Zhongqi; Yang, Bo; Kang, Yonggang; Yang, Yuan

    2016-01-01

    Fixture plays an important part in constraining excessive sheet metal part deformation at machining, assembly, and measuring stages during the whole manufacturing process. However, it is still a difficult and nontrivial task to design and optimize sheet metal fixture locating layout at present because there is always no direct and explicit expression describing sheet metal fixture locating layout and responding deformation. To that end, an RBF neural network prediction model is proposed in this paper to assist design and optimization of sheet metal fixture locating layout. The RBF neural network model is constructed by training data set selected by uniform sampling and finite element simulation analysis. Finally, a case study is conducted to verify the proposed method.

  9. Prediction of mono-, bi-, and trivalent metal cation relative toxicity to the seaweed Gracilaria domingensis (Gracilariales, Rhodophyta) in synthetic seawater.

    Science.gov (United States)

    Mendes, Luiz Fernando; Zambotti-Villela, Leonardo; Yokoya, Nair Sumie; Bastos, Erick Leite; Stevani, Cassius Vinicius; Colepicolo, Pio

    2013-11-01

    The present study reports a 48-h aquatic metal-toxicity assay based on daily growth rates of the red seaweed Gracilaria domingensis (Gracilariales, Rhodophyta) in synthetic seawater. The median inhibitory concentration (IC50) for each metal cation was experimentally determined, and the ratios of free ions (aqueous complex) were calculated by software minimization of the total equilibrium activity (MINTEQA2) to determine the free median inhibitory concentration (IC50F). A model for predicting the toxicity of 14 metal cations was developed using the generic function approximation algorithm (GFA) with log IC50F values as the dependent variables and the following properties as independent variables: ionic radius (r), atomic number (AN), electronegativity (Xm ), covalent index (Xm (2) r), first hydrolysis constant (|log KOH |), softness index (σp ), ion charge (Z), ionization potential (ΔIP), electrochemical potential (ΔEo ), atomic number divided by ionization potential (AN/ΔIP), and the cation polarizing power for Z(2) /r and Z/AR. The 3-term independent variables were predicted as the best-fit model (log IC50F: -23.64 + 5.59 Z/AR + 0.99 |log KOH | + 37.05 σp ; adjusted r(2) : 0.88; predicted r(2) : 0.68; Friedman lack-of-fit score: 1.6). This mathematical expression can be used to predict metal-biomolecule interactions, as well as the toxicity of mono-, bi-, and trivalent metal cations, which have not been experimentally tested in seaweed to date. Quantitative ion-character relationships allowed the authors to infer that the mechanism of toxicity might involve an interaction between metals and functional groups of biological species containing sulfur or oxygen.

  10. Geographical origin of Sauvignon Blanc wines predicted by mass spectrometry and metal oxide based electronic nose

    Energy Technology Data Exchange (ETDEWEB)

    Berna, Amalia Z., E-mail: Amalia.Berna@csiro.au [CSIRO Entomology and Food Futures Flagship, PO Box 1700, Canberra, ACT 2601 (Australia); Trowell, Stephen [CSIRO Entomology and Food Futures Flagship, PO Box 1700, Canberra, ACT 2601 (Australia); Clifford, David [CSIRO Mathematical and Information Sciences, Locked Bag 17, North Ryde, NSW 1670 (Australia); Cynkar, Wies; Cozzolino, Daniel [The Australian Wine Research Institute, Waite Road, Urrbrae, PO Box 197, Adelaide, SA 5064 (Australia)

    2009-08-26

    Analysis of 34 Sauvignon Blanc wine samples from three different countries and six regions was performed by gas chromatography-mass spectrometry (GC-MS). Linear discriminant analysis (LDA) showed that there were three distinct clusters or classes of wines with different aroma profiles. Wines from the Loire region in France and Australian wines from Tasmania and Western Australia were found to have similar aroma patterns. New Zealand wines from the Marlborough region as well as the Australian ones from Victoria were grouped together based on the volatile composition. Wines from South Australia region formed one discrete class. Seven analytes, most of them esters, were found to be the relevant chemical compounds that characterized the classes. The grouping information obtained by GC-MS, was used to train metal oxide based electronic (MOS-Enose) and mass spectrometry based electronic (MS-Enose) noses. The combined use of solid phase microextraction (SPME) and ethanol removal prior to MOS-Enose analysis, allowed an average error of prediction of the regional origins of Sauvignon Blanc wines of 6.5% compared to 24% when static headspace (SHS) was employed. For MS-Enose, the misclassification rate was higher probably due to the requirement to delimit the m/z range considered.

  11. Application of the Condensed Fukui Function to Predict Reactivity in Core–Shell Transition Metal Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Allison, Thomas C.; Tong, Yu ye J.

    2013-07-01

    Chemical reactivity descriptors are a powerful means for understanding reactivity in a wide variety of chemical compounds. These descriptors, rooted in density functional theory, have found broad application in organic chemical reactions, but have not been as widely applied for other classes of chemical species such as nanoparticles, which are the subject of this article. Specifically, we explore application of the Fukui function, the global hardness and softness, the local softness, and the dual descriptor to pure metallic and core–shell nanoparticles, with and without a CO molecule bound to the surface. We find that the Fukui function is useful in predicting and interpreting chemical reactivity, and that it correlates well with the results of the popular d-band center method. Differences in the Fukui function before and after bonding of a CO molecule to the surface of a nanoparticle reveal interesting information about the reactivity of the nanoparticle surface. The change in the Fukui function when an electric field is applied to the molecule is also considered. Though the results are generally good, some of the limitations of this approach become clear.

  12. Metal-Organic Framework Synthesis System Based on Fuzzy Predictive Control via Network Transmission

    Directory of Open Access Journals (Sweden)

    Jui-Ho Chen

    2014-01-01

    Full Text Available The purpose of this study is to construct metal-organic framework (MOF synthesis heating systems based on fuzzy method for monitoring and automatic control. In this study, the temperature sensing module for measurements sensed values that it through a wireless ZigBee chips and wired DAQ device for real-time data transmission. Because MOF synthesis, often due to different modes of heating or heating instability caused by its nucleation and crystal growth rate, is an important influence, leading to different crystallinity, the use of fuzzy theory to predict the temperature parameter and instant heating MOF synthesis parameters can be adjusted to improve the accuracy of the system. The research system to RS-232 interface module for infrared emission control packets issued and automated control of the furnace through the infrared receiver module. This study is based on a terminal interface window of Visual Basic programming and LabView graphical diagram for control system design. Finally, this research, through a number of experiments to validate the use of fuzzy system development methods and networks, can improve the accuracy of the reaction efficiency MOF sensing and control the heating system.

  13. Bioaccessibility of heavy metals in soils cannot be predicted by a single model in two adjacent areas.

    Science.gov (United States)

    Zhu, Xiaodong; Yang, Fen; Wei, Chaoyang; Liang, Tao

    2016-02-01

    The objective of this study was to examine whether a single model could be used to predict the bioaccessibility of heavy metals in soils in two adjacent areas and to determine the feasibility of using existing data sets of total metal concentrations and soil property parameters (e.g., pH, total organic carbon, and soil texture) when predicting heavy metal bioaccessibility. A total of 103 topsoil samples were collected from two adjacent areas (Baotou and Bayan Obo). A total of 76 samples were collected from Baotou, and 27 were collected from Bayan Obo. The total and bioaccessible concentrations of arsenic (As), copper (Cu), lead (Pb), and zinc (Zn) were measured following complete composite acid digestion and a simple bioaccessibility extraction test. The average total concentrations of As, Cu, Pb, and Zn were 8.95, 27.53, 28.40, and 79.50 mg/kg, respectively, in Baotou and 18.12, 30.75, 38.09, and 87.62 mg/kg in Bayan Obo. Except for As, these values were similar in both areas. The average bioaccessible heavy metal concentrations (Bio-HMs) for each target HM were also similar. In Baotou, the average Bio-HM values for As, Cu, Pb, and Zn were 1.16, 3.76, 16.31, and 16.10 mg/kg, respectively, and 1.26, 2.51, 14.31, and 8.68 mg/kg in Bayan Obo. However, the relative bioaccessibilities for each HM in Baotou were greater than those in Bayan Obo, with mean values for Pb, Zn, Cu, and As of 57, 20, 17, and 12 %, respectively, in Baotou and 40, 11, 9, and 8 % in Bayan Obo. In both areas, prediction models were successfully created using heavy metal concentrations and soil physicochemical parameters; however, models of the same target element differed between the areas, which indicated that a common model for both sites does not exist. Bio-HMs were highly affected by soil properties, which were found to differ between the adjacent areas. In addition, soil properties with large variations played major roles in the predictive models. This study highlights the importance

  14. Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene

    Science.gov (United States)

    Yang, L. F.; Song, Y.; Mi, W. B.; Wang, X. C.

    2016-07-01

    We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics.

  15. Lead toxicity to Lemna minor predicted using a metal speciation chemistry approach.

    Science.gov (United States)

    Antunes, Paula M C; Kreager, Nancy J

    2014-10-01

    In the present study, predictive measures for Pb toxicity and Lemna minor were developed from bioassays with 7 surface waters having varied chemistries (0.5-12.5 mg/L dissolved organic carbon, pH of 5.4-8.3, and water hardness of 8-266 mg/L CaCO3 ). As expected based on water quality, 10%, 20%, and 50% inhibitory concentration (IC10, IC20, and IC50, respectively) values expressed as percent net root elongation (%NRE) varied widely (e.g., IC20s ranging from 306 nM to >6920 nM total dissolved Pb), with unbounded values limited by Pb solubility. In considering chemical speciation, %NRE variability was better explained when both Pb hydroxides and the free lead ion were defined as bioavailable (i.e., f{OH} ) and colloidal Fe(III)(OH)3 precipitates were permitted to form and sorb metals (using FeOx as the binding phase). Although cause and effect could not be established because of covariance with alkalinity (p = 0.08), water hardness correlated strongly (r(2)  = 0.998, p hardness and %NRE vs f{OH} ), IC20 and IC50 values produced were within a factor of 2.9 times and 2.2 times those measured, respectively. The results provide much needed effect data for L. minor and highlight the importance of chemical speciation in Pb-based risk assessments for aquatic macrophytes.

  16. PREDICTION OF TOOL CONDITION DURING TURNING OF ALUMINIUM/ALUMINA/GRAPHITE HYBRID METAL MATRIX COMPOSITES USING MACHINE LEARNING APPROACH

    Directory of Open Access Journals (Sweden)

    N. RADHIKA

    2015-10-01

    Full Text Available Aluminium/alumina/graphite hybrid metal matrix composites manufactured using stir casting technique was subjected to machining studies to predict tool condition during machining. Fresh tool as well as tools with specific amount of wear deliberately created prior to machining experiments was used. Vibration signals were acquired using an accelerometer for each tool condition. These signals were then processed to extract statistical and histogram features to predict the tool condition during machining. Two classifiers namely, Random Forest and Classification and Regression Tree (CART were used to classify the tool condition. Results showed that histogram features with Random Forest classifier yielded maximum efficiency in predicting the tool condition. This machine learning approach enables the prediction of tool failure in advance, thereby minimizing the unexpected breakdown of tool and machine.

  17. Water quality, fate of metals and predictive model validation of a constructed wetland treating acid mine drainage

    Energy Technology Data Exchange (ETDEWEB)

    Mitsch, W.J.; Wise, K.M. [Ohio State University, Columbus, OH (United States). School of Natural Resources

    1998-06-01

    The paper describes how 0.39 ha constructed wetland designed with 9 cells, including two anaerobic cells that were to stimulate dissimilatory sulfate reduction, was evaluated for its effect on water quality of a low-order acid mine drainage (AMD) stream in southeastern Ohio, USA. Emphasis was on the uptake and fate of selected metals and the accuracy of a simulation model that predicted this specific wetland`s behavior before it was built.

  18. Spatial Prediction of Heavy Metal Pollution for Soils in Peri-Urban Beijing, China Based on Fuzzy Set Theory

    Institute of Scientific and Technical Information of China (English)

    TAN Man-Zhi; XU Fang-Ming; CHEN Jie; ZHANG Xue-Lei; CHEN Jing-Zhong

    2006-01-01

    Fuzzy classification combined with spatial prediction was used to assess the state of soil pollution in the peri-urban Beijing area. Total concentrations of As, Cr, Cd, Hg, and Pb were determined in 220 topsoil samples (0-20 cm) collected using a grid design in a study area of 2 600 km2. Heavy metal concentrations were grouped into three classes according to the optimum number of classes and fuzziness exponent using the fuzzy c-mean (FCM) algorithm. Membership values were interpolated using ordinary kriging. The polluted soils of the study area induced by the measured heavy metals were concentrated in the northwest corner and eastern part, especially the southeastern part close to the urban zone, whereas the soils free of pollution were mainly distributed in the southwestern part. The soils with potential risk of heavy metal pollution were located in isolated spots mainly in the northern part and southeastern corner of the study region. The FCM algorithm combined with geostatistical techniques, as compared to conventional single geostatistical kriging methods,could produce a prediction with a quantitative uncertainty evaluation and higher reliability. Successful prediction of soil pollution achieved with FCM algorithm in this study indicated that fuzzy set theory had great potential for use in other areas of soil science.

  19. Evaluation of holistic approaches to predicting the concentrations of metals in field-cultivated rice.

    Science.gov (United States)

    Tian, Yuan; Wang, Xiaorong; Luo, Jun; Yu, Hongxia; Zhang, Hao

    2008-10-15

    Measurements of metals in soils by diffusive gradients in thin films (DGT) have previously been shown to be linearly related to metals measured in shoots of plants grown in pots. We examine the relationships between metals measured by DGT and other techniques with metals in the roots and unpolished grains of rice cultivated under field conditions at 18 sites in Jiangsu province, China. Rhizosphere soils of rice were collected and the concentrations of Cd, Cu, Pb, and Zn were determined on soil solution, acetic acid, and calcium chloride (CaCl2) extractions and by DGT. Simple linear regression analyses between concentrations of metals in plants and those measured using DGT and chemical extractions showed a very good fit for DGT measurements of the concentrations of all four metals in both rice roots and unpolished grains. Good fits were also found using soil solution and acetic acid extractions, but the correlation coefficients were lower than those obtained by DGT. CaCl2 extractions provided the poorest fits for all four metals. Multivariate analyses were used to assess the impact of pH, dissolved organic carbon (DOC), soil organic carbon (SOC), cation exchange capacity (CEC), and texture. Two principal components were extracted. The first was well correlated with SOC, DOC, and clay proportion and is therefore representative of "organic matter". The second primarily correlated positively with pH and negatively with CEC and is representative of "inorganic ions". When these principle components were included in multiple linear regression, correlation coefficients for plots involving metals in soil solution and in extractions using acetic acid and CaCl2 were improved, but there was little change in the correlation coefficients for comparable plots using metals measured by DGT. These results show for the first time that the DGT measurement quantitatively incorporates the main factors affecting bioavailability.

  20. A new code for predicting the thermo-mechanical and irradiation behavior of metallic fuels in sodium fast reactors

    Science.gov (United States)

    Karahan, Aydın; Buongiorno, Jacopo

    2010-01-01

    An engineering code to predict the irradiation behavior of U-Zr and U-Pu-Zr metallic alloy fuel pins and UO2-PuO2 mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named Fuel Engineering and Structural analysis Tool (FEAST). FEAST has several modules working in coupled form with an explicit numerical algorithm. These modules describe fission gas release and fuel swelling, fuel chemistry and restructuring, temperature distribution, fuel-clad chemical interaction, and fuel and clad mechanical analysis including transient creep-fracture for the clad. Given the fuel pin geometry, composition and irradiation history, FEAST can analyze fuel and clad thermo-mechanical behavior at both steady-state and design-basis (non-disruptive) transient scenarios. FEAST was written in FORTRAN-90 and has a simple input file similar to that of the LWR fuel code FRAPCON. The metal-fuel version is called FEAST-METAL, and is described in this paper. The oxide-fuel version, FEAST-OXIDE is described in a companion paper. With respect to the old Argonne National Laboratory code LIFE-METAL and other same-generation codes, FEAST-METAL emphasizes more mechanistic, less empirical models, whenever available. Specifically, fission gas release and swelling are modeled with the GRSIS algorithm, which is based on detailed tracking of fission gas bubbles within the metal fuel. Migration of the fuel constituents is modeled by means of thermo-transport theory. Fuel-clad chemical interaction models based on precipitation kinetics were developed for steady-state operation and transients. Finally, a transient intergranular creep-fracture model for the clad, which tracks the nucleation and growth of the cavities at the grain boundaries, was developed for and implemented in the code. Reducing the empiricism in the constitutive models should make it more acceptable to extrapolate FEAST-METAL to new fuel compositions and higher burnup, as envisioned in advanced sodium reactors

  1. A new code for predicting the thermo-mechanical and irradiation behavior of metallic fuels in sodium fast reactors

    Energy Technology Data Exchange (ETDEWEB)

    Karahan, Aydin, E-mail: karahan@mit.ed [Center for Advanced Nuclear Energy Systems, Nuclear Science and Engineering Department, Massachusetts Institute of Technology (United States); Buongiorno, Jacopo [Center for Advanced Nuclear Energy Systems, Nuclear Science and Engineering Department, Massachusetts Institute of Technology (United States)

    2010-01-31

    An engineering code to predict the irradiation behavior of U-Zr and U-Pu-Zr metallic alloy fuel pins and UO{sub 2}-PuO{sub 2} mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named Fuel Engineering and Structural analysis Tool (FEAST). FEAST has several modules working in coupled form with an explicit numerical algorithm. These modules describe fission gas release and fuel swelling, fuel chemistry and restructuring, temperature distribution, fuel-clad chemical interaction, and fuel and clad mechanical analysis including transient creep-fracture for the clad. Given the fuel pin geometry, composition and irradiation history, FEAST can analyze fuel and clad thermo-mechanical behavior at both steady-state and design-basis (non-disruptive) transient scenarios. FEAST was written in FORTRAN-90 and has a simple input file similar to that of the LWR fuel code FRAPCON. The metal-fuel version is called FEAST-METAL, and is described in this paper. The oxide-fuel version, FEAST-OXIDE is described in a companion paper. With respect to the old Argonne National Laboratory code LIFE-METAL and other same-generation codes, FEAST-METAL emphasizes more mechanistic, less empirical models, whenever available. Specifically, fission gas release and swelling are modeled with the GRSIS algorithm, which is based on detailed tracking of fission gas bubbles within the metal fuel. Migration of the fuel constituents is modeled by means of thermo-transport theory. Fuel-clad chemical interaction models based on precipitation kinetics were developed for steady-state operation and transients. Finally, a transient intergranular creep-fracture model for the clad, which tracks the nucleation and growth of the cavities at the grain boundaries, was developed for and implemented in the code. Reducing the empiricism in the constitutive models should make it more acceptable to extrapolate FEAST-METAL to new fuel compositions and higher burnup, as envisioned in advanced sodium

  2. Metal-ceramic materials. Study and prediction of effective mechanical properties

    Science.gov (United States)

    Karakulov, Valerii V.; Smolin, Igor Yu.

    2016-08-01

    Mechanical behavior of stochastic metal-ceramic composite materials was numerically simulated on mesoscopic scale level. Deformation of mesoscopic volumes of composites, whose structure consists of a metal matrix and randomly distributed ceramic inclusions, was numerically simulated. The results of the numerical simulation were used for evaluation of the effective elastic and strength properties of metal-ceramic materials with different parameters of the structure. The values of the effective mechanical properties of investigated materials were obtained, and the character of the dependence of the effective elastic and strength properties on the structure parameters of composites was determined.

  3. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics.

    Science.gov (United States)

    Hu, Qinghai; Xiao, Zhongjin; Xiong, Xinmei; Zhou, Gongming; Guan, Xiaohong

    2015-01-01

    Although surface complexation models have been widely used to describe the adsorption of heavy metals, few studies have verified the feasibility of modeling the adsorption kinetics, edge, and isotherm data with one pH-independent parameter. A close inspection of the derivation process of Langmuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model, KS-kinetic, is theoretically equivalent to the adsorption constant in Langmuir isotherm, KS-Langmuir. The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed. The MLK model was employed to simulate the adsorption kinetics of Cu(II), Co(II), Cd(II), Zn(II) and Ni(II) on MnO2 at pH3.2 or 3.3 to get the values of KS-kinetic. The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model), and the values of KS-Langmuir were obtained. The values of KS-kinetic and KS-Langmuir are very close to each other, validating that the constants obtained by these two methods are basically the same. The MMP model with KS-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations. Moreover, the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the KS-kinetic constants.

  4. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics

    Institute of Scientific and Technical Information of China (English)

    Qinghai Hu; Zhongjin Xiao; Xinmei Xiong; Gongming Zhou; Xiaohong Guan

    2015-01-01

    Although surface complexation models have been widely used to describe the adsorption of heavy metals,few studies have verified the feasibility of modeling the adsorption kinetics,edge,and isotherm data with one pH-independent parameter.A close inspection of the derivation process of Langrnuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model,Ks-kinetic,is theoretically equivalent to the adsorption constant in Langrnuir isotherm,Ks-Langmuir.The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed.The MLK model was employed to simulate the adsorption kinetics of Cu(Ⅱ),Co(Ⅱ),Cd(Ⅱ),Zn(Ⅱ) and Ni(Ⅱ) on MnO2 at pH 3.2 or 3.3 to get the values of Ks-kinetic.The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model),and the values of Ks-Langrnuir were obtained.The values of Ks-kinetic and Ks-Langrnuir are very close to each other,validating that the constants obtained by these two methods are basically the same.The MMP model with Ks-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations.Moreover,the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the Ks-kinetic constants.

  5. Use of the Biotic Ligand Model to predict metal toxicity to aquatic biota in areas of differing geology

    Science.gov (United States)

    Smith, Kathleen S.

    2005-01-01

    This work evaluates the use of the biotic ligand model (BLM), an aquatic toxicity model, to predict toxic effects of metals on aquatic biota in areas underlain by different rock types. The chemical composition of water, soil, and sediment is largely derived from the composition of the underlying rock. Geologic source materials control key attributes of water chemistry that affect metal toxicity to aquatic biota, including: 1) potentially toxic elements, 2) alkalinity, 3) total dissolved solids, and 4) soluble major elements, such as Ca and Mg, which contribute to water hardness. Miller (2002) compiled chemical data for water samples collected in watersheds underlain by ten different rock types, and in a mineralized area in western Colorado. He found that each rock type has a unique range of water chemistry. In this study, the ten rock types were grouped into two general categories, igneous and sedimentary. Water collected in watersheds underlain by sedimentary rock has higher mean pH, alkalinity, and calcium concentrations than water collected in watersheds underlain by igneous rock. Water collected in the mineralized area had elevated concentrations of calcium and sulfate in addition to other chemical constituents. Miller's water-chemistry data were used in the BLM (computer program) to determine copper and zinc toxicity to Daphnia magna. Modeling results show that waters from watersheds underlain by different rock types have characteristic ranges of predicted LC 50 values (a measurement of aquatic toxicity) for copper and zinc, with watersheds underlain by igneous rock having lower predicted LC 50 values than watersheds underlain by sedimentary rock. Lower predicted LC 50 values suggest that aquatic biota in watersheds underlain by igneous rock may be more vulnerable to copper and zinc inputs than aquatic biota in watersheds underlain by sedimentary rock. For both copper and zinc, there is a trend of increasing predicted LC 50 values with increasing dissolved

  6. Predicted novel metallic metastable phases of polymeric nitrogen at high pressures

    Science.gov (United States)

    Wang, Xiaoli; Tian, Fubo; Wang, Lin; Jin, Xilian; Duan, Defang; Huang, Xiaoli; Liu, Bingbing; Cui, Tian

    2013-01-01

    Two new metallic polymeric structures of nitrogen, Pnnm and Cccm, are found by means of the first-principles density functional theory and a random structure-searching method. Firstly, it is shown that the transition behavior of nitrogen from insulator to metal starts at a pressure of approximately 460 GPa at 0 K. The Pnnm phase becomes energetically favorable with respect to cubic gauche at 363 GPa, and then transforms to the Cccm structure at 884 GPa. Electron-phonon coupling calculations suggest that the Pnnm crystal possesses superconductivity. The stability of these two phases is also explored, showing for the first time that they are stable structures of nitrogen exhibiting metallic properties.

  7. A quasi-stationary numerical model of atomized metal droplets, II: Prediction and assessment

    DEFF Research Database (Denmark)

    Pryds, Nini H.; Hattel, Jesper Henri; Thorborg, Jesper

    1999-01-01

    by comparing experimental and calculated results for the powder particles of 12Cr-Mo-V steel. The study is also focusing on some aspects of the process which are not available experimentally, e.g. the effect of undercooling and gas/metal ratio on the solidification. The important effect of these parameters has......A new model which extends previous studies and includes the interaction between enveloping gas and an array of droplets has been developed and presented in a previous paper. The model incorporates the probability density function of atomized metallic droplets into the heat transfer equations...

  8. Testing and Prediction of Limits of Lubrication in Sheet Metal Forming

    DEFF Research Database (Denmark)

    Ceron, Ermanno; Bay, Niels

    2012-01-01

    Increasing focus on environmental issues in industrial production has urged a number of sheet metal forming companies to look for new tribo-systems, here meaning the combination of tool_material/workpiece_material/lubricant, in order to substitute hazardous lubricants such as chlorinated paraffin...

  9. Predicting the fragmentation onset velocity for different metallic projectiles using numerical simulations

    NARCIS (Netherlands)

    Livingstone, I.H.G.; Verolme, K.; Hayhurst, C.J.

    2001-01-01

    For cubes and spheres under high velocity impact there exists for each system of projectile and target, a threshold velocity that is just sufficient to shatter the projectile. This velocity, usually above 2km/s for metallic projectiles, is known as the fragmentation onset velocity. To determine the

  10. Fatigue Crack Growth Prediction for generalized fiber metal laminates and hybrid materials

    NARCIS (Netherlands)

    Wilson, G.S.

    2013-01-01

    The excellent durability performance of Glare, a thin fiber metal laminate (FML) material system, is now being proven in service. This has motivated work towards the application of FMLs to thicker structures driven by damage tolerance. In order to fully characterize the crack growth life of such mat

  11. Atomistic modelling and prediction of glass forming ability in bulk metallic glasses

    Science.gov (United States)

    Sedighi, Sina

    Atomistic modeling (via molecular dynamics with EAM interaction potentials) was conducted for the detailed investigation of kinetics, thermodynamics, structure, and bonding in Ni-Al and Cu-Zr metallic glasses. This work correlates GFA with the nature of atomic-level bonding and vibrational properties, with results potentially extensible to the Transition Metal -- Transition Metal and Transition Metal -- Metalloid alloy classes in general. As a first step in the development of a liquid-only GFA tuning approach, an automated tool has also been created for the broad compositional sampling of liquid and glassy phase properties in multicomponent (binary, ternary, quaternary) alloy systems. Its application to the Cu-Zr alloy system shows promising results, including the successful identification of the two highest GFA compositions, Cu50Zr50 and Cu64Zr 36. Combined, the findings of this work highlight the critical importance of incorporating more complex alloy-specific information regarding the nature of bonding and ordering at the atomic level into such an approach.

  12. Model predictions of metal speciation in freshwaters compared to measurements by in situ techniques.

    NARCIS (Netherlands)

    Unsworth, Emily R; Warnken, Kent W; Zhang, Hao; Davison, William; Black, Frank; Buffle, Jacques; Cao, Jun; Cleven, Rob; Galceran, Josep; Gunkel, Peggy; Kalis, Erwin; Kistler, David; Leeuwen, Herman P van; Martin, Michel; Noël, Stéphane; Nur, Yusuf; Odzak, Niksa; Puy, Jaume; Riemsdijk, Willem van; Sigg, Laura; Temminghoff, Erwin; Tercier-Waeber, Mary-Lou; Toepperwien, Stefanie; Town, Raewyn M; Weng, Liping; Xue, Hanbin

    2006-01-01

    Measurements of trace metal species in situ in a softwater river, a hardwater lake, and a hardwater stream were compared to the equilibrium distribution of species calculated using two models, WHAM 6, incorporating humic ion binding model VI and visual MINTEQ incorporating NICA-Donnan. Diffusive gra

  13. Prediction of welding residual stress of dissimilar metal weld of nozzle using finite element analyses

    Energy Technology Data Exchange (ETDEWEB)

    Huh, Nam Su; Kim, Jong Wook; Choi, Suhn; Kim, Tae Wan [KAERI, Daejeon (Korea, Republic of)

    2008-07-01

    The Primary Water Stress Corrosion Cracking (PWSCC) of dissimilar metal weld based on Alloy 82/182 is one of major issues in material degradation of nuclear components. It is well known that the crack initiation and growth due to PWSCC is influenced by material's susceptibility to PWSCC and distribution of welding residual stress. Therefore, modeling the welding residual stress is of interest in understanding crack formation and growth in dissimilar metal weld. Currently in Korea, a numerical round robin study is undertaken to provide guidance on the welding residual stress analysis of dissimilar metal weld. As a part of this effort, the present paper investigates distribution of welding resisual stress of a ferritic low alloy steel nozzle with dissimilar metal weld using Alloy 82/182. Two-dimensional thermo-mechanical finite element analyses are carried out to simulate multi-pass welding process on the basis of the detailed design and fabrication data. The present results are compared with those from other participants, and more works incorporating physical measurements are going to be performed to quantify the uncertainties relating to modelling assumptions.

  14. Significance of the local sheet curvature in the prediction of sheet metal forming limits by necking instabilities and cracks

    OpenAIRE

    Hora Pavel; Tong Longchang; Gorji Maysam; Manopulo Niko; Berisha Bekim

    2016-01-01

    The industrial based prediction in sheet metal forming bases still on the Forming Limit Diagrams (FLD) as formally proposed by Keeler 1. The FLD are commonly specified by the Nakajima tests and evaluated with the so called cross section method. Although widely used, the FLC concept has numerous serious limitations. In the paper the influences of bending on the FLC as well as the later crack limits will be discussed. Both criteria will be combined to an extended FLC concept (X-FLC). The new co...

  15. NUMERICAL METHOD FOR PREDICTION OF NET-SHAPED BLANK IN MULTI-POINT FORMING OF SHEET METAL

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A new numerical method to predict the initial blank geometry from the desired objective shape of parts is pre-sented. Based on the conditions that the deformations in material are most evenly distributed and that the volume remainsconstant, a positive definite functional for blank design is constructed. The functional is minimized by an iterative schemeof finite element, and then the optimal initial configuration is obtained. The method is easy and expedient to use. The re-sults of numerical simulation of forming process and multi-point forming experiments for sheet metal demonstrate thatgood precision is achieved by the proposed method.

  16. Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

    Science.gov (United States)

    Toropov, Andrey A.; Achary, P. Ganga Raju; Toropova, Alla P.

    2016-09-01

    Building up of the predictive quantitative structure-property/activity relationships (QSPRs/QSARs) for nanomaterials usually are impossible owing to the complexity of the molecular architecture of the nanomaterials. Simplified molecular input-line entry system (SMILES) is a tool to represent the molecular architecture of ;traditional; molecules for "traditional" QSPR/QSAR. The quasi-SMILES is a tool to represent features (conditions and circumstances), which accompany the behavior of nanomaterials. Having, the training set and validation set, so-called quantitative feature-property relationships (QFPRs), based on the quasi-SMILES, one can build up model for zeta potentials of metal oxide nanoparticles for situations characterized by different features.

  17. PREDICTION OF MECHANICAL PROPERTY OF WHISKER REINFORCED METAL MATRIX COMPOSITE:PART-Ⅱ. VERIFICATION & APPLICATION

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The present paper continues the discussion in Part-I. Model and Formulation. Based on the theory proposed in Part-I, the formulae predicting stiffness moduli of the composites in some typical cases of whisker orientations and loading conditions are derived and compared with theoretical representatives in literatures, experimental measurement and commonly-used empirical formulae. It seems that (1) with whisker reinforcing and matrix-hardening considered, the present prediction is in well agreement with the experimental measurement; (2) the present theory can predict accurate moduli with the proper pre-calculated parameters; (3) the upper-bound and lower-bound of the present theory are just the predictions of equal strain theory and equal stress theory; (4) the present theory provides a physical explanation and theoretical base for the present commonly-used empirical formulae. Compared with the microscopic mechanical theories, the present theory is competent for modulus prediction of practical engineering composite in accuracy and simplicity.

  18. A Triaxial Failure Diagram to predict the forming limit of 3D sheet metal parts subjected to multiaxial stresses

    Science.gov (United States)

    Rastellini, F.; Socorro, G.; Forgas, A.; Onate, E.

    2016-08-01

    Accurate prediction of failure and forming limits is essential when modelling sheet metal forming processes. Since traditional Forming Limit Curves (FLCs) are not valid for materials subjected to triaxial loading, a new failure criterion is proposed in this paper based on the stress triaxility and the effective plastic strain accumulated during the history of material loading. Formability zones are identified inside the proposed Triaxial Failure Diagram (TFD). FLCs may be mapped into the TFD defining a new Triaxial Failure Curve, or it can be defined by triaxial failure experiments. Several TFD examples are validated and constrasted showing acceptable accuracy in the numerical prediction of forming failure/limit of 3D thick sheet parts.

  19. Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.

    Science.gov (United States)

    Toropova, Alla P; Toropov, Andrey A; Rallo, Robert; Leszczynska, Danuta; Leszczynski, Jerzy

    2015-02-01

    The Monte Carlo technique has been used to build up quantitative structure-activity relationships (QSARs) for prediction of dark cytotoxicity and photo-induced cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli (minus logarithm of lethal concentration for 50% bacteria pLC50, LC50 in mol/L). The representation of nanoparticles include (i) in the case of the dark cytotoxicity a simplified molecular input-line entry system (SMILES), and (ii) in the case of photo-induced cytotoxicity a SMILES plus symbol '^'. The predictability of the approach is checked up with six random distributions of available data into the visible training and calibration sets, and invisible validation set. The statistical characteristics of these models are correlation coefficient 0.90-0.94 (training set) and 0.73-0.98 (validation set). Copyright © 2014 Elsevier Inc. All rights reserved.

  20. Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet

    Energy Technology Data Exchange (ETDEWEB)

    Dzade, Nelson Y; Obodo, Kingsley O; Adjokatse, Sampson K; Ashu, Akosa C; Amankwah, Emmanuel; Atiso, Clement D; Bello, Abdulhakeem A; Igumbor, Emmanuel; Nzabarinda, Stany B; Obodo, Joshua T; Ogbuu, Anthony O; Femi, Olu Emmanuel; Udeigwe, Josephine O; Waghmare, Umesh V [African University of Science and Technology, Abuja (Nigeria)

    2010-09-22

    We use first-principles density functional theory based calculations to determine the stability and properties of silicene, a graphene-like structure made from silicon, and explore the possibilities of modifying its structure and properties through incorporation of transition metal ions (M: Ti, Nb, Ta, Cr, Mo and W) in its lattice, forming MSi{sub 2}. While pure silicene is stable in a distorted honeycomb lattice structure obtained by opposite out-of-plane displacements of the two Si sub-lattices, its electronic structure still exhibits linear dispersion with the Dirac conical feature similar to graphene. We show that incorporation of transition metal ions in its lattice results in a rich set of properties with a clear dependence on the structural changes, and that CrSi{sub 2} forms a two-dimensional magnet exhibiting a strong piezomagnetic coupling.

  1. The influence of accretion rate and metallicity on thermonuclear bursts: predictions from KEPLER models

    CERN Document Server

    Lampe, Nathanael; Galloway, Duncan K

    2015-01-01

    Using the KEPLER hydrodynamics code, 464 models of thermonuclear X-ray bursters were performed across a range of accretion rates and compositions. We present the library of simulated burst profiles from this sample, and examine variations in the simulated lightcurve for different model conditions. We find that the recurrence time varies as a power law against accretion rate, and measure its slope while mixed H/He burning is occurring for a range of metallicities, finding the power law gradient to vary from $\\eta = 1.1$ to $1.24$. We also identify the accretion rates at which mixed H/He burning stops and a transition occurs to different burning regimes. We also explore how varying the accretion rate and metallicity affects burst morphology in both the rise and tail.

  2. Classification of soil magnetic susceptibility and prediction of metal detector performance: case study of Angola

    Science.gov (United States)

    Preetz, Holger; Altfelder, Sven; Hennings, Volker; Igel, Jan

    2009-05-01

    Soil magnetic properties can seriously impede the performance of metal detectors used in landmine clearance operations. For a proper planning of clearance operations pre-existing information on soil magnetic susceptibility can be helpful. In this study we briefly introduce a classification system to assess soil magnetic susceptibilities from geoscientific maps. The classification system is based on susceptibility measurements conducted on archived lateritic soil samples from 15 tropical countries. The system is applied to a soil map of Angola, resulting in a map that depicts soil magnetic susceptibilities as a worst case scenario. An additional layer depicting the surveyed mine affected communities in Angola is added to the map, which demonstrates that a large number of those are located in areas where soil is expected to impede metal detector performance severely.

  3. Unusual adsorption site behavior in PCN-14 metal-organic framework predicted from Monte Carlo simulation.

    Science.gov (United States)

    Lucena, Sebastião M P; Mileo, Paulo G M; Silvino, Pedro F G; Cavalcante, Célio L

    2011-12-01

    The adsorption equilibrium of methane in PCN-14 was simulated by the Monte Carlo technique in the grand canonical ensemble. A new force field was proposed for the methane/PCN-14 system, and the temperature dependence of the molecular siting was investigated. A detailed study of the statistics of the center of mass and potential energy showed a surprising site behavior with no energy barriers between weak and strong sites, allowing open metal sites to guide methane molecules to other neighboring sites. Moreover, this study showed that a model assuming weakly adsorbing open metal clusters in PCN-14, densely populated only at low temperatures (below 150 K), can explain published experimental data. These results also explain previously observed discrepancies between neutron diffraction experiments and Monte Carlo simulations.

  4. The Prediction of Metal Slopping in LD Converter on Base an Acoustic Signal

    Directory of Open Access Journals (Sweden)

    Kostúr, K.

    2006-01-01

    Full Text Available The negative influences of slopping in a BOF are pollution to the environment. They give lower yield and cause equipment damage. The prediction of these phenomena is based on information processing from the measuring microphone. The change of frequency in certain range is done by a signal for the prediction of slopping. In this paper two methods for prediction of slopping are described. The first method is based on measuring and processing of sound emitted from the vessel during the blow. The second method utilizes Fourier’s transformation for processing of acoustic signal from sonic meter. The success rate of prediction has been evaluated by help of five criterions. It is possible to forecast the slopping on selected frequency (band. It is the essence of the second method, because this method has high success (criterion K1. Note, that criterion K5 defines acknowledgment of duration slopping. This criterion has the highest value.

  5. A damage accumulation model for complex strain paths: Prediction of ductile failure in metals

    Science.gov (United States)

    Lapovok, Rimma; Hodgson, D.

    2009-11-01

    The characterisation of strain path with respect to the directionality of defect formation is discussed. The criterion of non-monotonic strain path is used in the scalar and tensor models for damage accumulation and recovery. Comparable analysis of models and their verification has been obtained by simulation of crack initiation in a two-stage metal forming operation consisting of wire drawing followed by constrained upsetting.

  6. A CFD-Model for prediction of unintended porosities in metal matrix composites

    DEFF Research Database (Denmark)

    Li, Shizhao; Spangenberg, Jon; Hattel, Jesper Henri

    2013-01-01

    This paper presents a numerical method that simulates the flow through the porous corridors of the preform, which in theory enables the prediction of unintended porosities at the end of the process.......This paper presents a numerical method that simulates the flow through the porous corridors of the preform, which in theory enables the prediction of unintended porosities at the end of the process....

  7. First-principles prediction of new complex transition metal hydrides for high temperature applications.

    Science.gov (United States)

    Nicholson, Kelly M; Sholl, David S

    2014-11-17

    Metal hydrides with high thermodynamic stability are desirable for high-temperature applications, such as those that require high hydrogen release temperatures or low hydrogen overpressures. First-principles calculations have been used previously to identify complex transition metal hydrides (CTMHs) for high temperature use by screening materials with experimentally known structures. Here, we extend our previous screening of CTMHs with a library of 149 proposed materials based on known prototype structures and charge balancing rules. These proposed materials are typically related to known materials by cation substitution. Our semiautomated, high-throughput screening uses density functional theory (DFT) and grand canonical linear programming (GCLP) methods to compute thermodynamic properties and phase diagrams: 81 of the 149 materials are found to be thermodynamically stable. We identified seven proposed materials that release hydrogen at higher temperatures than the associated binary hydrides and at high temperature, T > 1000 K, for 1 bar H2 overpressure. Our results indicate that there are many novel CTMH compounds that are thermodynamically stable, and the computed thermodynamic data and phase diagrams should be useful for selecting materials and operating parameters for high temperature metal hydride applications.

  8. Troubles in the systematic prediction of transition metal thermochemistry with contemporary out-of-the-box methods

    KAUST Repository

    Minenkov, Yury

    2016-03-22

    The recently developed DLPNO-CCSD(T) method and 7 popular DFT functionals (B3LYP, M06, M06L, PBE, PBE0, TPSS and TPSSh) with and without an empirical dispersion term have been tested to reproduce 111 gas phase reaction enthalpies involving 11 different transition metals. Our calculations, corrected for both relativistic effects and basis set incompleteness, indicate that most of the methods applied with default settings perform with acceptable accuracy on average. Nevertheless, our calculations also evidenced unexpected and non systematic large deviations for specific cases. For group 12 metals (Zn, Cd, Hg) most of the methods provided mean unsigned errors (MUE) less than 5.0 kcal/mol, with DLPNO-CCSD(T) and PBE methods performing excellently (MUE lower 2.0 kcal/mol). Problems started with group 4 metals (Ti and Zr). Best performer for Zr complexes with a MUE of 1.8 kcal/mol, PBE0-D3, provides a MUE larger than 8 kcal/mol for Ti. DLPNO-CCSD(T) provides a reasonable MUE of 3.3 kcal/mol for Ti reactions, but gives MUE a larger than 14.4 kcal/mol for Zr complexes, with all the larger deviations for reactions involving ZrF4. Large and non-systematic errors have been obtained for group 6 metals (Mo and W), for 8 reactions containing Fe, Cu, Nb and Re complexes. Finally, for the whole set of 111 reactions, the DLPNO-CCSD(T), B3LYP-D3 and PBE0-D3 methods turned out to be the best performers, both providing MUE below 5.0 kcal/mol. Since DFT results cannot be systematically improved and large non-systematic deviations of 20-30 kcal/mol were obtained even for best performers, our results indicates that current DFT methods are still unable to provide robust predictions in transition metal thermochemistry, at least for the functionals explored in this work. The same conclusion holds for both DLPNO-CCSD(T) and canonical CCSD(T) methods when used entirely as out-of-the-box. However if careful investigation core correlation is performed, relativistic effects are properly included

  9. THEORETICAL PREDICTION OF TOOL-CHIP CONTACT LENGTH IN ORTHOGONAL METAL MACHINING BY COMPUTER SIMULATION

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A method for determination of tool-chip contact length is theoretically presented in orthogonal metal machining. By using computer simulation and based on the analyses of the elastro-plastic deformation with lagrangian finite element method in the deformation zone,the accumulated representative length of the low layer, the tool-chip contact length of the chip contacting the tool rake are calculated, experimental studies are also carried out with 0.2% carbon steel. It is shown that the tool-chip contact lengths obtained from computer simulation have a good agreement with those of measured values.

  10. Theoretical Prediction of Asymmetrical Jet Formation in Two-Metallic-Flow Collision

    Institute of Scientific and Technical Information of China (English)

    SHI Yi-Na; QIN Cheng-Sen

    2007-01-01

    @@ We develop a basic problem in ballistics and impact engineering, concerning the collision of two fluid streams with different widths. The geometrical theory of plane asymmetrical jet formation is presented and a closed form solution is given. The width and flow direction of the outgoing flows are predicted both analytically and numerically as a function of initial configuration of the incoming flows. The predictions are more accurate than the results of other analytic models and in agreement with the experimental data and numerical results over a wide range of flow widths ratio variation.

  11. Observing the metal-poor solar neighbourhood: a comparison of galactic chemical evolution predictions*†

    Science.gov (United States)

    Mishenina, T.; Pignatari, M.; Côté, B.; Thielemann, F.-K.; Soubiran, C.; Basak, N.; Gorbaneva, T.; Korotin, S. A.; Kovtyukh, V. V.; Wehmeyer, B.; Bisterzo, S.; Travaglio, C.; Gibson, B. K.; Jordan, C.; Paul, A.; Ritter, C.; Herwig, F.; NuGrid Collaboration

    2017-08-01

    Atmospheric parameters and chemical compositions for 10 stars with metallicities in the region of -2.2 thermodynamic equilibrium (LTE) and non-LTE (NLTE) approaches. In particular, differences by assuming LTE or NLTE are about 0.10 dex; depending on [Fe/H], Teff, gravity and element lines used in the analysis. We find that the O abundance has the largest error, ranging from 0.10 and 0.2 dex. The best measured elements are Cr, Fe, and Mn; with errors between 0.03 and 0.11 dex. The stars in our sample were included in previous different observational work. We provide a consistent data analysis. The data dispersion introduced in the literature by different techniques and assumptions used by the different authors is within the observational errors, excepting for HD103095. We compare these results with stellar observations from different data sets and a number of theoretical galactic chemical evolution (GCE) simulations. We find a large scatter in the GCE results, used to study the origin of the elements. Within this scatter as found in previous GCE simulations, we cannot reproduce the evolution of the elemental ratios [Sc/Fe], [Ti/Fe], and [V/Fe] at different metallicities. The stellar yields from core-collapse supernovae are likely primarily responsible for this discrepancy. Possible solutions and open problems are discussed.

  12. Prediction of inhomogeneous texture in clad sheet metals by hot roll bond method

    Science.gov (United States)

    Choi, Shi-Hoon; Kwon, Jae Wook; Oh, Kyu Hwan

    1996-06-01

    A finite element analysis was applied to analyze the evolution of an inhomogeneity of rolling texture in hot rolled clad metal with Taylor-Bishop-Hill model and Renourd-Winterberger method. The shear texture has been developed in the surface layer of the aluminum and plane strain texture has been developed in the center layer. The calculated texture variations through thickness direction could simulate experimental texture using deformation gradient from FEM. The ratio of shear strain to rolling strain, x, which represents the degree of rotation about transverse direction could give the degree of development of shear texture. The larger value of x gives the larger crystal rotation about transverse direction and subsequently the development of shear texture. The calculated (111) pole figures were in good agreement with experimentally measured pole figures.

  13. 3D transient model to predict temperature and ablated areas during laser processing of metallic surfaces

    Science.gov (United States)

    Naghshine, Babak. B.; Kiani, Amirkianoosh

    2017-02-01

    Laser processing is one of the most popular small-scale patterning methods and has many applications in semiconductor device fabrication and biomedical engineering. Numerical modelling of this process can be used for better understanding of the process, optimization, and predicting the quality of the final product. An accurate 3D model is presented here for short laser pulses that can predict the ablation depth and temperature distribution on any section of the material in a minimal amount of time. In this transient model, variations of thermal properties, plasma shielding, and phase change are considered. Ablation depth was measured using a 3D optical profiler. Calculated depths are in good agreement with measured values on laser treated titanium surfaces. The proposed model can be applied to a wide range of materials and laser systems.

  14. Bi-variable damage model for fatigue life prediction of metal components

    Institute of Scientific and Technical Information of China (English)

    Miao Zhang; Qing-Chun Meng; Xing Zhang; Wei-Ping Hu

    2011-01-01

    Based on the theory of continuum damage mechanics, a bi-variable damage mechanics model is developed, which, according to thermodynamics, is accessible to derivation of damage driving force, damage evolution equation and damage evolution criteria. Furthermore, damage evolution equations of time rate are established by the generalized Drucker's postulate. The damage evolution equation of cycle rate is obtained by integrating the time damage evolution equations, and the fatigue life prediction method for smooth specimens under repeated loading with constant strain amplitude is constructed. Likewise, for notched specimens under the repeated loading with constant strain amplitude, the fatigue life prediction method is obtained on the ground of the theory of conservative integral in damage mechanics. Thus, the material parameters in the damage evolution equation can be obtained by reference to the fatigue test results of standard specimens with stress concentration factor equal to 1, 2 and 3.

  15. Heat Transfer Process Computer Simulation and Microstructure Prediction During Crystallization of Metal Alloys

    Science.gov (United States)

    Georgiev, Georgi Evt.; Popov, Sasho; Manolov, Valentin; Dimitrova, Rositsa; Kuzmanov, Pavel

    2013-03-01

    Processes of crystallization during casting formation from aluminum alloys, steel and cast iron have been studied using 3-D com- puter simulation. Temperature fields of castings have been obtained and the microstructure distribution of these castings has been predicted. A comparison between numerical results and experimental measurement has been performed. It is proved, that the proposed approach is suitable for investigation and analysis of casting technologies.

  16. Prediction and prevention of rockburst in metal mines – A case study of Sanshandao gold mine

    Directory of Open Access Journals (Sweden)

    Meifeng Cai

    2016-04-01

    Full Text Available Rockburst is a kind of artificial earthquake induced by human activities, such as mining excavations. The mechanism of rockburst induced by mining disturbance is revealed in terms of energy in this context. For understanding the rockburst mechanism, two necessary conditions for the occurrence of rockburst are presented: (1 the rock mass has the capability to store huge amount of energy and possesses a strong bumping-prone characteristic when damaged; and (2 the geological conditions in the mining area have favorable geo-stress environments that can form high-stress concentration area and accumulate huge energy. These two conditions are also the basic criteria for prediction of rockburst. In view of energy analysis, it is observed that artificial and natural earthquakes have similar regularities in many aspects, such as the relationship between the energy value and burst magnitude. By using the relationship between energy and magnitude of natural earthquake, rockburst is predicted by disturbance energy analysis. A practical example is illustrated using the above-mentioned theorem and technique to predict rockburst in a gold mine in China. Finally, the prevention and control techniques of rockburst are also provided based on the knowledge of the rockburst mechanism.

  17. Delineating ion-ion interactions by electrostatic modeling for predicting rhizotoxicity of metal mixtures to lettuce Lactuca sativa.

    Science.gov (United States)

    Le, T T Yen; Wang, Peng; Vijver, Martina G; Kinraide, Thomas B; Hendriks, A Jan; Peijnenburg, Willie J G M

    2014-09-01

    Effects of ion-ion interactions on metal toxicity to lettuce Lactuca sativa were studied based on the electrical potential at the plasma membrane surface (ψ0 ). Surface interactions at the proximate outside of the membrane influenced ion activities at the plasma membrane surface ({M(n+)}0). At a given free Cu(2+) activity in the bulk medium ({Cu(2+)}b), additions of Na(+), K(+), Ca(2+), and Mg(2+) resulted in substantial decreases in {Cu(2+)}0. Additions of Zn(2+) led to declines in {Cu(2+)}0, but Cu(2+) and Ag(+) at the exposure levels tested had negligible effects on the plasma membrane surface activity of each other. Metal toxicity was expressed by the {M(n+)}0 -based strength coefficient, indicating a decrease of toxicity in the order: Ag(+)  > Cu(2+)  > Zn(2+). Adsorbed Na(+), K(+), Ca(2+), and Mg(2+) had significant and dose-dependent effects on Cu(2+) toxicity in terms of osmolarity. Internal interactions between Cu(2+) and Zn(2+) and between Cu(2+) and Ag(+) were modeled by expanding the strength coefficients in concentration addition and response multiplication models. These extended models consistently indicated that Zn(2+) significantly alleviated Cu(2+) toxicity. According to the extended concentration addition model, Ag(+) significantly enhanced Cu(2+) toxicity whereas Cu(2+) reduced Ag(+) toxicity. By contrast, the response multiplication model predicted insignificant effects of adsorbed Cu(2+) and Ag(+) on the toxicity of each other. These interactions were interpreted using ψ0, demonstrating its influence on metal toxicity.

  18. Significance of the local sheet curvature in the prediction of sheet metal forming limits by necking instabilities and cracks

    Directory of Open Access Journals (Sweden)

    Hora Pavel

    2016-01-01

    Full Text Available The industrial based prediction in sheet metal forming bases still on the Forming Limit Diagrams (FLD as formally proposed by Keeler 1. The FLD are commonly specified by the Nakajima tests and evaluated with the so called cross section method. Although widely used, the FLC concept has numerous serious limitations. In the paper the influences of bending on the FLC as well as the later crack limits will be discussed. Both criteria will be combined to an extended FLC concept (X-FLC. The new concept demonstrates that the Nakajima tests are not only appropriate for the evaluation of the necking instability but for the detection of the real crack strains too. For the evaluation of the crack strains a new local thinning method is proposed and tested for special 6xxx Al-alloys.

  19. Predictive framework for shape-selective separations in three-dimensional zeolites and metal-organic frameworks.

    Science.gov (United States)

    First, Eric L; Gounaris, Chrysanthos E; Floudas, Christodoulos A

    2013-05-07

    With the growing number of zeolites and metal-organic frameworks (MOFs) available, computational methods are needed to screen databases of structures to identify those most suitable for applications of interest. We have developed novel methods based on mathematical optimization to predict the shape selectivity of zeolites and MOFs in three dimensions by considering the energy costs of transport through possible pathways. Our approach is applied to databases of over 1800 microporous materials including zeolites, MOFs, zeolitic imidazolate frameworks, and hypothetical MOFs. New materials are identified for applications in gas separations (CO2/N2, CO2/CH4, and CO2/H2), air separation (O2/N2), and chemicals (propane/propylene, ethane/ethylene, styrene/ethylbenzene, and xylenes).

  20. Size and Shape Prediction of Colloidal Metal Oxide MgBaFeO Particles from Light Scattering Measurements

    Energy Technology Data Exchange (ETDEWEB)

    Aslan, Mustafa M., E-mail: maslan@engr.uky.edu; Menguec, Mustafa Pinar [University of Kentucky, Dept of Mechanical Engineering (United States); Manickavasagam, Siva; Saltiel, Craig [Synergetic Technologies Inc. (United States)

    2006-12-15

    The size and structure of colloidal metal oxide (MgBaFeO) particles are determined using an Elliptically Polarized Light Scattering (EPLS) technique. The approach is based on a hybrid experimental/theoretical study where the experimental data are compared against predictions obtained using a T-Matrix model that accounts for particle shape irregularities. A power-law distribution function with two parameters is employed to account for the particle size distribution. The refractive index of the particles in ethyl alcohol is calculated based on the Maxwell-Garnet formula. The experiments are conducted using a second-generation nephelometer. It is shown that the current EPLS measurements can effectively be used for identification of both the shape and the size of the colloids.

  1. Usefulness of the monocyte-to-high-density lipoprotein cholesterol ratio to predict bare metal stent restenosis.

    Science.gov (United States)

    Yilmaz, Samet; Akboga, Mehmet K; Sen, Fatih; Balcı, Kevser G; Aras, Dursun; Temizhan, Ahmet; Aydogdu, Sinan

    2016-09-01

    The aim of the present study was to investigate the predictive value of preprocedural monocyte count-to-high-density lipoprotein cholesterol ratio (MHR) on development of in-stent restenosis in patients undergoing coronary bare-metal stent (BMS) implantation. Data from 705 patients who had undergone BMS implantation and additional control coronary angiography were analyzed. Patients were divided into three tertiles based on preprocedural MHR. Restenosis occurred in 59 patients (25%) in the lowest tertile, 84 (35%) in the middle tertile and 117 (50%) in the highest MHR tertile (p MHR and C-reactive protein levels emerged as independent predictors of in-stent restenosis. High preprocedural MHR is related to BMS restenosis.

  2. Prediction of solidification and phase transformation in weld metals for welding of high performance stainless steels; Kotaishoku kotainetsu stainless koyo yosetsu kinzoku no gyoko hentai no yosoku gijutsu

    Energy Technology Data Exchange (ETDEWEB)

    Koseki, T.; Inoue, H.; Morimoto, H.; Okita, S. [Nippon Steel Corp., Tokyo (Japan)

    1995-02-28

    Prediction technology is introduced on the solidification and transformation of weld metals used for high performance stainless steel. A model has been developed which uses Thermo Calc, a multiple balanced calculation program, as a means to analyze the solidification of multi-component alloys including the polyphase solidification such as eutectic and peritectic. Verification has been in progress concerning the adequacy of this model and the adaptability as a practical steel. The following are the prediction technologies for solidification and transformation which have been derived from experiments and applied to welding techniques: the effects of nitrogen on the solidification mode and residual {gamma}quantity of a welding metal that is required for controlling the welding/solidification of high nitrogen content {gamma}system stainless steel; the structural control of weld metal for high corrosion resistance high Mo stainless steel, in which high Ni and high Mo contents are indispensable for attaining the optimum structure; the structural control of weld metal for two-phase stainless steel containing Mo and N, in which it is essential to secure a high nitrogen content and a {delta}/{gamma}phase balance in a weld metal; and the precipitation prediction of intermetallic compound in a high alloy weld metal for a high alloy stainless steel, for which an explanation is there by Cieslak et al. based on the phase stability theory. 22 refs., 16 figs.

  3. Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?

    Science.gov (United States)

    Liang, Guangchao; DeYonker, Nathan J; Zhao, Xuan; Webster, Charles Edwin

    2017-08-11

    Accurate computationally derived reduction potentials are important for catalyst design. In this contribution, relatively inexpensive density functional theory methods are evaluated for computing reduction potentials of a wide variety of organic, inorganic, and organometallic complexes. Astonishingly, SCRF single points on B3LYP optimized geometries with a reasonably small basis set/ECP combination works quite well--B3LYP with the BS1 [modified-LANL2DZ basis set/ECP (effective core potential) for metals, LANL2DZ(d,p) basis set/LANL2DZ ECP for heavy nonmetals (Si, P, S, Cl, and Br), and 6-31G(d') for other elements (H, C, N, O, and F)] and implicit PCM solvation models, SMD (solvation model based on density) or IEFPCM (integral equation formalism polarizable continuum model with Bondi atomic radii and α = 1.1 reaction field correction factor). The IEFPCM-Bondi-B3LYP/BS1 methodology was found to be one of the least expensive and most accurate protocols, among six different density functionals tested (BP86, PBEPBE, B3LYP, B3P86, PBE0, and M06) with thirteen different basis sets (Pople split-valence basis sets, correlation consistent basis sets, or Los Alamos National Laboratory ECP/basis sets) and four solvation models (SMD, IEFPCM, IPCM, and CPCM). The MAD (mean absolute deviation) values of SCRF-B3LYP/BS1 of 49 studied species were 0.263 V for SMD and 0.233 V for IEFPCM-Bondi; and the linear correlations had respectable R(2) values (R(2)  = 0.94 for SMD and R(2)  = 0.93 for IEFPCM-Bondi). These methodologies demonstrate relatively reliable, convenient, and time-saving functional/basis set/solvation model combinations in computing the reduction potentials of transition metal complexes with moderate accuracy. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  4. Quantum chemical prediction of vibrational spectra of large molecular systems with radical or metallic electronic structure

    Science.gov (United States)

    Nishimoto, Yoshio; Irle, Stephan

    2017-01-01

    Quantum chemical simulation of infrared (IR) and Raman spectra for molecules with open-shell, radical, or multiradical electronic structure represents a major challenge. We report analytic second-order geometrical derivatives of the Mermin free energy for the second-order self-consistent-charge density-functional tight-binding (DFTB2) method with fractional occupation numbers (FONs). This new method is applied to the evaluation of Nsbnd O radical stretching modes in various open-shell molecules and to the prediction of the evolution of IR and Raman spectra of graphene nanoribbons with increasing molecular size.

  5. Failure Prediction in Fiber Metal Laminates for Next Generation Aero Materials

    Science.gov (United States)

    Jeevan Rao, H.; Janaki Ramulu, Perumalla; Vishnu Vardhan, M.; Chandramouli, CH

    2016-09-01

    In aerospace industry, there is huge demand for low density and low cost materials with better mechanical properties. In this view, there are many researchers developed new materials interms of composites. Similar manner, the present paper also aimed to produce a new approach for cost effective materials of 3D weaved glass fiber metal laminates (FML) with different compositions using a numerical study. A method for the simulation of progressive delamination based on de-cohesion elements has been presented. De-cohesion elements are placed between layers of solid elements that open and shear in response to the loading situation. The onset of damage and the growth of delamination are simulated without previous knowledge about the location, the size, or the direction of propagation of the de-laminations. A softening law for mixed-mode delamination that can be applied to any interaction criterion is also proposed. The constitutive equation proposed uses a single variable, the maximum relative displacement, to track the damage at the interface under general loading conditions. The material properties required to define the element constitutive equation are the inter-laminar fracture toughness's, the penalty stiffness, and the strengths.

  6. On the effect of rotation on populations of classical Cepheids I. Predictions at solar metallicity

    CERN Document Server

    Anderson, R I; Georgy, C; Meynet, G; Mowlavi, N; Eyer, L

    2014-01-01

    [Abridged] We aim to improve the understanding of Cepheids from an evolutionary perspective and establish the role of rotation in the Cepheid paradigm. In particular, we are interested in the contribution of rotation to the problem of Cepheid masses, and explore testable predictions of quantities that can be confronted with observations. Evolutionary models including a homogeneous and self-consistent treatment of rotation are studied in detail during the crossings of the classical instability strip (IS). The dependence of several parameters on initial rotation is studied. These parameters include mass, luminosity, temperature, lifetimes, equatorial velocity, surface abundances, and rates of period change. Several key results are obtained: i) mass-luminosity (M-L) relations depend on rotation, particularly during the blue loop phase; ii) luminosity increases between crossings of the IS. Hence, Cepheid M-L relations at fixed initial rotation rate depend on crossing number (faster rotation yields greater luminos...

  7. BIOACCUMULATION DYNAMICS OF HEAVY METALS IN Oreochromis nilotycus: PREDICTED THROUGH A BIOACCUMULATION MODEL CONSTRUCTED BASED ON BIOTIC LIGAND MODEL (BLM)

    OpenAIRE

    Noegrohati, Sri

    2010-01-01

    In estuarine ecosystem, sediments are not only functioning as heavy metal scavenger, but also as one of potential sources for heavy metals to the ecosystem. Due the capability of aquatic organisms to accumulate heavy metals, there is possibility of heavy metals to exert their toxic effect towards the organisms and other organisms positioned in higher trophic level, such as fish, and further to human beings. To understand the different processes of heavy metal bioaccumulation in a dynamic mann...

  8. Environmental relevance of laboratory-derived kinetic models to predict trace metal bioaccumulation in gammarids: Field experimentation at a large spatial scale (France).

    Science.gov (United States)

    Urien, N; Lebrun, J D; Fechner, L C; Uher, E; François, A; Quéau, H; Coquery, M; Chaumot, A; Geffard, O

    2016-05-15

    Kinetic models have become established tools for describing trace metal bioaccumulation in aquatic organisms and offer a promising approach for linking water contamination to trace metal bioaccumulation in biota. Nevertheless, models are based on laboratory-derived kinetic parameters, and the question of their relevance to predict trace metal bioaccumulation in the field is poorly addressed. In the present study, we propose to assess the capacity of kinetic models to predict trace metal bioaccumulation in gammarids in the field at a wide spatial scale. The field validation consisted of measuring dissolved Cd, Cu, Ni and Pb concentrations in the water column at 141 sites in France, running the models with laboratory-derived kinetic parameters, and comparing model predictions and measurements of trace metal concentrations in gammarids caged for 7 days to the same sites. We observed that gammarids poorly accumulated Cu showing the limited relevance of that species to monitor Cu contamination. Therefore, Cu was not considered for model predictions. In contrast, gammarids significantly accumulated Pb, Cd, and Ni over a wide range of exposure concentrations. These results highlight the relevance of using gammarids for active biomonitoring to detect spatial trends of bioavailable Pb, Cd, and Ni contamination in freshwaters. The best agreements between model predictions and field measurements were observed for Cd with 71% of good estimations (i.e. field measurements were predicted within a factor of two), which highlighted the potential for kinetic models to link Cd contamination to bioaccumulation in the field. The poorest agreements were observed for Ni and Pb (39% and 48% of good estimations, respectively). However, models developed for Ni, Pb, and to a lesser extent for Cd, globally underestimated bioaccumulation in caged gammarids. These results showed that the link between trace metal concentration in water and in biota remains complex, and underlined the limits of

  9. Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides

    Science.gov (United States)

    Seo, Dong-Hwa; Urban, Alexander; Ceder, Gerbrand

    2015-09-01

    Transition-metal (TM) oxides play an increasingly important role in technology today, including applications such as catalysis, solar energy harvesting, and energy storage. In many of these applications, the details of their electronic structure near the Fermi level are critically important for their properties. We propose a first-principles-based computational methodology for the accurate prediction of oxygen charge transfer in TM oxides and lithium TM (Li-TM) oxides. To obtain accurate electronic structures, the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional is adopted, and the amount of exact Hartree-Fock exchange (mixing parameter) is adjusted to reproduce reference band gaps. We show that the HSE06 functional with optimal mixing parameter yields not only improved electronic densities of states, but also better energetics (Li-intercalation voltages) for LiCo O2 and LiNi O2 as compared to the generalized gradient approximation (GGA), Hubbard U corrected GGA (GGA +U ), and standard HSE06. We find that the optimal mixing parameters for TM oxides are system specific and correlate with the covalency (ionicity) of the TM species. The strong covalent (ionic) nature of TM-O bonding leads to lower (higher) optimal mixing parameters. We find that optimized HSE06 functionals predict stronger hybridization of the Co 3 d and O 2 p orbitals as compared to GGA, resulting in a greater contribution from oxygen states to charge compensation upon delithiation in LiCo O2 . We also find that the band gaps of Li-TM oxides increase linearly with the mixing parameter, enabling the straightforward determination of optimal mixing parameters based on GGA (α =0.0 ) and HSE06 (α =0.25 ) calculations. Our results also show that G0W0@GGA +U band gaps of TM oxides (M O ,M =Mn ,Co ,Ni ) and LiCo O2 agree well with experimental references, suggesting that G0W0 calculations can be used as a reference for the calibration of the mixing parameter in cases when no experimental band gap has been

  10. From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

    Science.gov (United States)

    Sizochenko, Natalia; Rasulev, Bakhtiyor; Gajewicz, Agnieszka; Kuz'min, Victor; Puzyn, Tomasz; Leszczynski, Jerzy

    2014-11-21

    Many metal oxide nanoparticles are able to cause persistent stress to live organisms, including humans, when discharged to the environment. To understand the mechanism of metal oxide nanoparticles' toxicity and reduce the number of experiments, the development of predictive toxicity models is important. In this study, performed on a series of nanoparticles, the comparative quantitative-structure activity relationship (nano-QSAR) analyses of their toxicity towards E. coli and HaCaT cells were established. A new approach for representation of nanoparticles' structure is presented. For description of the supramolecular structure of nanoparticles the "liquid drop" model was applied. It is expected that a novel, proposed approach could be of general use for predictions related to nanomaterials. In addition, in our study fragmental simplex descriptors and several ligand-metal binding characteristics were calculated. The developed nano-QSAR models were validated and reliably predict the toxicity of all studied metal oxide nanoparticles. Based on the comparative analysis of contributed properties in both models the LDM-based descriptors were revealed to have an almost similar level of contribution to toxicity in both cases, while other parameters (van der Waals interactions, electronegativity and metal-ligand binding characteristics) have unequal contribution levels. In addition, the models developed here suggest different mechanisms of nanotoxicity for these two types of cells.

  11. An empirical approach to predicting long term behavior of metal particle based recording media

    Science.gov (United States)

    Hadad, Allan S.

    1991-01-01

    Alpha iron particles used for magnetic recording are prepared through a series of dehydration and reduction steps of alpha-Fe2O3-H2O resulting in acicular, polycrystalline, body centered cubic (bcc) alpha-Fe particles that are single magnetic domains. Since fine iron particles are pyrophoric by nature, stabilization processes had to be developed in order for iron particles to be considered as a viable recording medium for long term archival (i.e., 25+ years) information storage. The primary means of establishing stability is through passivation or controlled oxidation of the iron particle's surface. Since iron particles used for magnetic recording are small, additional oxidation has a direct impact on performance especially where archival storage of recorded information for long periods of time is important. Further stabilization chemistry/processes had to be developed to guarantee that iron particles could be considered as a viable long term recording medium. In an effort to retard the diffusion of iron ions through the oxide layer, other elements such as silicon, aluminum, and chromium have been added to the base iron to promote more dense scale formation or to alleviate some of the non-stoichiometric behavior of the oxide or both. The presence of water vapor has been shown to disrupt the passive layer, subsequently increasing the oxidation rate of the iron. A study was undertaken to examine the degradation in magnetic properties as a function of both temperature and humidity on silicon-containing iron particles between 50-120 deg C and 3-89 percent relative humidity. The methodology to which experimental data was collected and analyzed leading to predictive capability is discussed.

  12. Flame Atomic Absorption Spectrometric Determination of Trace Metal Ions in Environmental and Biological Samples After Preconcentration on a Newly Developed Amberlite XAD-16 Chelating Resin Containing p-Aminobenzene Sulfonic Acid.

    Science.gov (United States)

    Islam, Aminul; Ahmad, Akil; Laskar, Mohammad Asaduddin

    2015-01-01

    Amberlite® XAD-16 was functionalized with p-aminobenzene sulfonic acid via an azo spacer in order to prepare a new chelating resin, which was then characterized by water regain value, hydrogen ion capacity, elemental analyses, and IR spectral and thermal studies. The maximum uptake of Cu(II), Ni(II), Zn(II), Co(II), Cr(III), Fe(III), and Pb(II) ions was observed in the pH range 4.0-6.0 with the corresponding half-loading times of 6.5, 7.0, 8.0, 9.0, 11.0, 8.5, and 16.5 min. The sorption data followed Langmuir isotherms and a pseudo-second-order model. Thermodynamic quantities, ΔH and ΔS, based on the variation of the distribution coefficient with temperature were also evaluated. High preconcentration factors of 60-100 up to a low preconcentration limit of 4.0-6.6 μg/L have been achieved for the metal ions. The validity of the method was checked by analyzing standard reference materials and recoveries of trace metals after spiking. The analytical applications of the method were explored by analyzing natural water, mango pulp, mint leaves, and fish.

  13. High-temperature fatigue in metals - A brief review of life prediction methods developed at the Lewis Research Center of NASA

    Science.gov (United States)

    Halford, G. R.

    1983-01-01

    The presentation focuses primarily on the progress we at NASA Lewis Research Center have made. The understanding of the phenomenological processes of high temperature fatigue of metals for the purpose of calculating lives of turbine engine hot section components is discussed. Improved understanding resulted in the development of accurate and physically correct life prediction methods such as Strain-Range partitioning for calculating creep fatigue interactions and the Double Linear Damage Rule for predicting potentially severe interactions between high and low cycle fatigue. Examples of other life prediction methods are also discussed. Previously announced in STAR as A83-12159

  14. Prediction

    CERN Document Server

    Sornette, Didier

    2010-01-01

    This chapter first presents a rather personal view of some different aspects of predictability, going in crescendo from simple linear systems to high-dimensional nonlinear systems with stochastic forcing, which exhibit emergent properties such as phase transitions and regime shifts. Then, a detailed correspondence between the phenomenology of earthquakes, financial crashes and epileptic seizures is offered. The presented statistical evidence provides the substance of a general phase diagram for understanding the many facets of the spatio-temporal organization of these systems. A key insight is to organize the evidence and mechanisms in terms of two summarizing measures: (i) amplitude of disorder or heterogeneity in the system and (ii) level of coupling or interaction strength among the system's components. On the basis of the recently identified remarkable correspondence between earthquakes and seizures, we present detailed information on a class of stochastic point processes that has been found to be particu...

  15. Predictions of the extent of self-enrichment in oxygen of giant metal-poor HII regions

    CERN Document Server

    Wofford, Aida

    2009-01-01

    In general, HII regions do not show clear signs of self-enrichment in products from massive stars (M > 8 M_sun). In order to explore why, I modeled the contamination with Wolf-Rayet star ejecta of metal-poor (Z=0.001) HII regions, ionised either by a 10^6 M_sun cluster of coeval stars (cluster 1), or a cluster resulting from continuous star formation at a rate of 1 M_sun yr^-1 (cluster 2). The clusters have Z=0.001 and a Salpeter initial mass function (IMF) from 0.1 to 120 M_sun. Independent one dimensional constant density simulations of the emission-line spectra of unenriched HII regions were computed at the discrete ages 1, 2, 3, 4, and 5 Myr, with the photoionisation code CLOUDY, using as input, radiative and mechanical stellar feedbacks predicted by the evolutionary synthesis code STARBURST99. Each HII region was placed at the outer radius of the adiabatically expanding superbubble of Mac Low and McCray (1988). For models with thermal and ionisation balance time-scales of less than 1 Myr, and with oxygen...

  16. Risk Assessment and Prediction of Heavy Metal Pollution in Groundwater and River Sediment: A Case Study of a Typical Agricultural Irrigation Area in Northeast China.

    Science.gov (United States)

    Zhong, Shuang; Geng, Hui; Zhang, Fengjun; Liu, Zhaoying; Wang, Tianye; Song, Boyu

    2015-01-01

    The areas with typical municipal sewage discharge river and irrigation water function were selected as study sites in northeast China. The samples from groundwater and river sediment in this area were collected for the concentrations and forms of heavy metals (Cr(VI), Cd, As, and Pb) analysis. The risk assessment of heavy metal pollution was conducted based on single-factor pollution index (I) and Nemerow pollution index (NI). The results showed that only one groundwater sampling site reached a polluted level of heavy metals. There was a high potential ecological risk of Cd on the N21-2 sampling site in river sediment. The morphological analysis results of heavy metals in sediment showed that the release of heavy metals can be inferred as one of the main pollution sources of groundwater. In addition, the changes in the concentration and migration scope of As were predicted by using the Groundwater Modeling System (GMS). The predicted results showed that As will migrate downstream in the next decade, and the changing trend of As polluted areas was changed with As content districts because of some pump wells downstream to form groundwater depression cone, which made the solute transfer upstream.

  17. Risk Assessment and Prediction of Heavy Metal Pollution in Groundwater and River Sediment: A Case Study of a Typical Agricultural Irrigation Area in Northeast China

    Science.gov (United States)

    Zhong, Shuang; Geng, Hui; Zhang, Fengjun; Liu, Zhaoying; Wang, Tianye; Song, Boyu

    2015-01-01

    The areas with typical municipal sewage discharge river and irrigation water function were selected as study sites in northeast China. The samples from groundwater and river sediment in this area were collected for the concentrations and forms of heavy metals (Cr(VI), Cd, As, and Pb) analysis. The risk assessment of heavy metal pollution was conducted based on single-factor pollution index (I) and Nemerow pollution index (NI). The results showed that only one groundwater sampling site reached a polluted level of heavy metals. There was a high potential ecological risk of Cd on the N21-2 sampling site in river sediment. The morphological analysis results of heavy metals in sediment showed that the release of heavy metals can be inferred as one of the main pollution sources of groundwater. In addition, the changes in the concentration and migration scope of As were predicted by using the Groundwater Modeling System (GMS). The predicted results showed that As will migrate downstream in the next decade, and the changing trend of As polluted areas was changed with As content districts because of some pump wells downstream to form groundwater depression cone, which made the solute transfer upstream. PMID:26366176

  18. Risk Assessment and Prediction of Heavy Metal Pollution in Groundwater and River Sediment: A Case Study of a Typical Agricultural Irrigation Area in Northeast China

    Directory of Open Access Journals (Sweden)

    Shuang Zhong

    2015-01-01

    Full Text Available The areas with typical municipal sewage discharge river and irrigation water function were selected as study sites in northeast China. The samples from groundwater and river sediment in this area were collected for the concentrations and forms of heavy metals (Cr(VI, Cd, As, and Pb analysis. The risk assessment of heavy metal pollution was conducted based on single-factor pollution index (I and Nemerow pollution index (NI. The results showed that only one groundwater sampling site reached a polluted level of heavy metals. There was a high potential ecological risk of Cd on the N21-2 sampling site in river sediment. The morphological analysis results of heavy metals in sediment showed that the release of heavy metals can be inferred as one of the main pollution sources of groundwater. In addition, the changes in the concentration and migration scope of As were predicted by using the Groundwater Modeling System (GMS. The predicted results showed that As will migrate downstream in the next decade, and the changing trend of As polluted areas was changed with As content districts because of some pump wells downstream to form groundwater depression cone, which made the solute transfer upstream.

  19. Refractory-Slag-Metal-Inclusion Multiphase Reactions Modeling Using Computational Thermodynamics: Kinetic Model for Prediction of Inclusion Evolution in Molten Steel

    Science.gov (United States)

    Shin, Jae Hong; Chung, Yongsug; Park, Joo Hyun

    2017-02-01

    The refractory-slag-metal-inclusion multiphase reaction model was developed by integrating the refractory-slag, slag-metal, and metal-inclusion elementary reactions in order to predict the evolution of inclusions during the secondary refining processes. The mass transfer coefficient in the metal and slag phase, and the mass transfer coefficient of MgO in the slag were employed in the present multiphase reactions modeling. The "Effective Equilibrium Reaction Zone (EERZ) Model" was basically employed. In this model, the reaction zone volume per unit step for metal and slag phase, which is dependent on the `effective reaction zone depth' in each phase, should be defined. Thus, we evaluated the effective reaction zone depth from the mass transfer coefficient in metal and slag phase at 1873 K (1600 °C) for the desulfurization reaction which was measured in the present study. Because the dissolution rate of MgO from the refractory to slag phase is one of the key factors affecting the slag composition, the mass transfer coefficient of MgO in the ladle slag was also experimentally determined. The calculated results for the variation of the composition of slag and molten steel as a function of reaction time were in good agreement with the experimental results. The MgAl2O4 spinel inclusion was observed at the early to middle stage of the reaction, whereas the liquid oxide inclusion was mainly observed at the final stage of the refining reaction. The content of CaO sharply increased, and the SiO2 content increased mildly with the increasing reaction time, while the content of Al2O3 in the inclusion drastically decreased. Even though there is slight difference between the calculated and measured results, the refractory-slag-metal multiphase reaction model constructed in the present study exhibited a good predictability of the inclusion evolution during ladle refining process.

  20. GEMAS: prediction of solid-solution partitioning coefficients (Kd) for cationic metals in soils using mid-infrared diffuse reflectance spectroscopy.

    Science.gov (United States)

    Janik, Leslie J; Forrester, Sean T; Soriano-Disla, José M; Kirby, Jason K; McLaughlin, Michael J; Reimann, Clemens

    2015-02-01

    Partial least squares regression (PLSR) models, using mid-infrared (MIR) diffuse reflectance Fourier-transformed (DRIFT) spectra, were used to predict distribution coefficient (Kd) values for selected added soluble metal cations (Ag(+), Co(2+), Cu(2+), Mn(2+), Ni(2+), Pb(2+), Sn(4+), and Zn(2+)) in 4813 soils of the Geochemical Mapping of Agricultural Soils (GEMAS) program. For the development of the PLSR models, approximately 500 representative soils were selected based on the spectra, and Kd values were determined using a single-point soluble metal or radioactive isotope spike. The optimum models, using a combination of MIR-DRIFT spectra and soil pH, resulted in good predictions for log Kd+1 for Co, Mn, Ni, Pb, and Zn (R(2) ≥ 0.83) but poor predictions for Ag, Cu, and Sn (R(2)  Kd+1 values in the remaining 4313 unknown soils. The PLSR models provide a rapid and inexpensive tool to assess the mobility and potential availability of selected metallic cations in European soils. Further model development and validation will be needed to enable the prediction of log K(d+1) values in soils worldwide with different soil types and properties not covered in the existing model.

  1. Diffusive gradients in thin films (DGT) for the prediction of bioavailability of heavy metals in contaminated soils to earthworm (Eisenia foetida) and oral bioavailable concentrations.

    Science.gov (United States)

    Bade, Rabindra; Oh, Sanghwa; Shin, Won Sik

    2012-02-01

    The applicability of diffusive gradients in thin-films (DGT) as a biomimic surrogate was investigated to determine the bioavailable heavy metal concentrations to earthworm (Eisenia foetida). The relationships between the amount of DGT and earthworm uptake; DGT uptake and the bioavailable concentrations of heavy metals in soils were evaluated. The one-compartment model for the dynamic uptake of heavy metals in the soil fitted well to both the earthworm (R(2)=0.641-0.990) and DGT (R(2)=0.473-0.998) uptake data. DGT uptake was linearly correlated with the total heavy metal concentrations in the soil (aqua regia), the bioavailable heavy metal concentrations estimated by fractions I+II of the standard measurements and testing (SM&T) and physiologically based extraction test (PBET, stomach+intestine). The coefficients of determination (R(2)) of DGT uptake vs. aqua regia were 0.433, 0.929 and 0.723; vs. SM&T fractions (I+II) were 0.901, 0.882 and 0.713 and vs. PBET (stomach+intestine) were 0.913, 0.850 and 0.649 for Pb, Zn and Cu, respectively. These results imply that DGT can be used as a biomimic surrogate for the earthworm uptake of heavy metals in contaminated soils as well as predict bioavailable concentrations of heavy metals estimated by SM&T (I+II) and PBET as a human oral bioavailable concentrations of heavy metals. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Sintering of two-dimensional nanoclusters in metal(100) homoepitaxial systems: Deviations from predictions of Mullins continuum theory

    Science.gov (United States)

    Liu, Da-Jiang; Evans, J. W.

    2002-10-01

    We present a comparison of the predictions of atomistic and continuum models for the sintering of pairs of near-square two-dimensional nanoclusters adsorbed on the (100) surface in fcc metal homoepitaxial systems. Mass transport underlying these processes is dominated by periphery diffusion (PD) of adatoms along the edge of the clusters. A Mullins-type continuum model for cluster evolution incorporates anisotropy in the step edge stiffness (reflecting the energetics and adsorption site lattice structure in the atomistic model), and can also account for anisotropy in the step edge mobility (reflecting details of the kinetics). In such continuum treatments, the characteristic time τeq for relaxation of clusters with linear size of order L satisfies τeq~L4. Deviations may generally be expected for small sizes L or low temperatures T. However, for the relaxation of dumbbell-shaped clusters (formed by corner-to-corner coalescence of square clusters), atomistic simulations for PD with no kink rounding barrier (δ=0) reveal that τeq~L4 always applies. In contrast, atomistic simulations with a large kink rounding barrier (δ>0) reveal distinct scaling with τeq~L3, for low T or small L, thus providing an effective way to test for δ>0. For the relaxation of faceted rectangular clusters (formed by side-to-side coalescence of square clusters), atomistic simulations for PD with δ=0 reveal that τeq~L2, for low T or small L. This is consistent with a recent proposal by Combe and Larralde. For large δ>0, τeq has an even weaker dependence on L. We elucidate scaling behavior and the effective activation barrier for relaxation in terms of the individual atomistic PD processes and their barriers.

  3. From basic physics to mechanisms of toxicity: the ``liquid drop'' approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles

    Science.gov (United States)

    Sizochenko, Natalia; Rasulev, Bakhtiyor; Gajewicz, Agnieszka; Kuz'min, Victor; Puzyn, Tomasz; Leszczynski, Jerzy

    2014-10-01

    Many metal oxide nanoparticles are able to cause persistent stress to live organisms, including humans, when discharged to the environment. To understand the mechanism of metal oxide nanoparticles' toxicity and reduce the number of experiments, the development of predictive toxicity models is important. In this study, performed on a series of nanoparticles, the comparative quantitative-structure activity relationship (nano-QSAR) analyses of their toxicity towards E. coli and HaCaT cells were established. A new approach for representation of nanoparticles' structure is presented. For description of the supramolecular structure of nanoparticles the ``liquid drop'' model was applied. It is expected that a novel, proposed approach could be of general use for predictions related to nanomaterials. In addition, in our study fragmental simplex descriptors and several ligand-metal binding characteristics were calculated. The developed nano-QSAR models were validated and reliably predict the toxicity of all studied metal oxide nanoparticles. Based on the comparative analysis of contributed properties in both models the LDM-based descriptors were revealed to have an almost similar level of contribution to toxicity in both cases, while other parameters (van der Waals interactions, electronegativity and metal-ligand binding characteristics) have unequal contribution levels. In addition, the models developed here suggest different mechanisms of nanotoxicity for these two types of cells.Many metal oxide nanoparticles are able to cause persistent stress to live organisms, including humans, when discharged to the environment. To understand the mechanism of metal oxide nanoparticles' toxicity and reduce the number of experiments, the development of predictive toxicity models is important. In this study, performed on a series of nanoparticles, the comparative quantitative-structure activity relationship (nano-QSAR) analyses of their toxicity towards E. coli and HaCaT cells were

  4. The predictive effect of fear-avoidance beliefs on low back pain among newly qualified health care workers with and without previous low back pain: a prospective cohort study

    DEFF Research Database (Denmark)

    Jensen, Jette Nygaard; Albertsen, Karen; Borg, Vilhelm;

    2009-01-01

    Health care workers have a high prevalence of low back pain (LBP). Although physical exposures in the working environment are linked to an increased risk of LBP, it has been suggested that individual coping strategies, for example fear-avoidance beliefs, could also be important in the development...... and maintenance of LBP. Accordingly, the main objective of this study was to examine (1) the association between physical work load and LBP, (2) the predictive effect of fear-avoidance beliefs on the development of LBP, and (3) the moderating effect of fear-avoidance beliefs on the association between physical...

  5. In Vitro Vascular Toxicity of Manufactured Metal Oxide Nanoparticles: Size Profile Predicts Cellular Specificity, Delivered Dose, and Toxicity

    Science.gov (United States)

    Metal oxide nanoparticles (NPs) are being used in an expanding range of products and applications due to their unique physicochemical properties. In vivo biokinetic studies have demonstrated the ability of metal oxide NPs to translocate to the distal organs, including the cardiov...

  6. Research on Prediction of Fatigue Crack Growth Rate of Metallic Materials based on Neural Network%基于神经网络的金属材料疲劳裂纹扩展规律的预测

    Institute of Scientific and Technical Information of China (English)

    李旭东; 刘治国; 穆志韬

    2013-01-01

    Artificial neural network is a newly-developed method for predicting complex system.In this paper,BP neu-ral network was established to predict the fatigue crack growth rate of metal.Part of the fatigue crack growth experimental data under specific stress ratios from LD2 were used to train the BP neural network,while other data were used to test and verify the prediction validity of the established BP neural network.Results indicated that the neural network had strong fit-ting and generalization capability.So the neural network can be used for predicting the crack growth rate of different stress ratios based on the existing data,and cut down the experimental work,which is very promising for engineering application.%人工神经网络是新型的复杂系统预测方法。本文针对金属疲劳裂纹扩展速率建立了 BP 神经网络,并以部分应力比 LD2锻造铝合金疲劳裂纹试验数据作为训练样本,训练建立好的 BP 神经网络;以另一部分应力比条件下的试验数据作为预测样本,验证训练好的 BP 神经网络的预测能力。仿真结果表明,BP 神经网络能够方便地获得不同应力比下的疲劳裂纹扩展速率,对训练样本和测试样本都具有良好的泛化能力。该方法充分利用了已有数据,减少了疲劳试验次数,具有工程应用价值。

  7. Control of the Accumulation of Non-Process Elements in Pulp Mills with Bleach Filtrate Reuse: A Chemical Equilibrium Approach to Predicting the Partitioning of Metals in Pulp Mill and Bleach Plant Streams

    Energy Technology Data Exchange (ETDEWEB)

    Frederick, W.J. Jr.; Rudie, A.W.; Schmidl, G.W.; Sinquefield, S.A.; Rorrer, G.L.; Laver, M.L.; Yantasee, W.; Ming, D.

    2000-08-01

    The overall goal of this project was to develop fundamental, experimentally based methods for predicting the solubility or organic and inorganic matter and their interactions in recycled effluent from kraft pulp mills and bleach plants. This included: characterizing the capacity of wood pulp and dissolved organic matter to bind metal ions, developing a thermodynamic database of properties needed to describe the solubility of inorganic matter in pulp mill streams, incorporation of the database into equilibrium calculation software for predicting the solubility of the metals of interest, and evaluating its capability to predict the distribution of the metals between pulp fibers, inorganic precipitates, and solution.

  8. Predicting the Potentials, Solubilities and Stabilities of Metal-Acetylacetonates for Non-Aqueous Redox Flow Batteries Using Density Functional Theory Calculations.

    Energy Technology Data Exchange (ETDEWEB)

    Kucharyson, J. F.; Cheng, L.; Tung, S. O.; Curtiss, L. A.; Thompson, L. T.

    2017-07-14

    New active materials are needed to improve the performance and reduce the cost of non-aqueous redox flow batteries (RFBs) for grid-scale energy storage applications. Efforts to develop better performing materials, which have largely been empirical, would benefit from a better understanding of relationships between structural, electronic and RFB-relevant functional properties. This paper focuses on metal-acetylacetonates, a class of metal coordination complexes that has shown promise for use in RFBs, and describes correlations between their experimentally measured standard potentials, solubilities, and stabilities (cycle lifes), and selected chemical, structural and electronic properties determined from Density Functional Theory (DFT) calculations. The training set consisted of 16 complexes including 5 different metals and 11 different substituents on the acetylacetonate ligand. Standard potentials for those compounds were calculated and are in good agreement with experimentally measured results. A predictive equation based on the solvation energies and dipole moments, two easily computed properties, reasonably modeled the experimentally determined solubilities. Importantly, we were able to identify a descriptor for the stability of acetylacetonates. The experimentally determined stability, quantified as the cycle life to a given degree of degradation, correlated with the percentage of the highest occupied (HOMO) or lowest unoccupied molecular orbital (LUMO) on the metal of the complex. This percentage is influenced by the degree of ligand innocence (irreducibility), and complexes with the most innocent ligands yielded the most stable redox reactions. To this end, VO(acetylacetonate)(2) and Fe(acetylacetonate)(3), with nearly 80% of the HOMO and LUMO on the metal, possessed the most stable oxidation and reduction half-reactions, respectively. The structure-function relationships and correlations presented in this paper could be used to predict new, highly soluble

  9. Predicting welding residual stresses in a dissimilar metal girth welded pipe using 3D finite element model with a simplified heat source

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Dean, E-mail: deandeng@cqu.edu.c [College of Materials Science and Engineering, Chongqing University, Shazheng Street 174, Shapingba, Chongqing 400044 (China); Kiyoshima, Shoichi [Research Center of Computational Mechanics, Inc., Togoshi NI-Bldg., 1-7-1 Togoshi, Shinagawa-ku, Tokyo 142-0041 (Japan); Ogawa, Kazuo [Japan Nuclear Energy Safety Organization, TOKYU REIT Toranomon Bldg, 3-17-1, Toranomon, Minato-ku, Tokyo 105-0001 (Japan); Yanagida, Nobuyoshi [Hitachi Ltd. 1-1, Saiwa-cho 3-chome, Hitachi-shi, Ibaraki-ken 317-8511 (Japan); Saito, Koichi [Hitachi-GE Nuclear Energy, Ltd. 2-2, Omika-cho, 5-chome, Hitachi-shi, Ibaraki-ken 319-1221 (Japan)

    2011-01-15

    Research highlights: Welding residual stresses have asymmetrical distributions in the dissimilar metal pipe. Variable length heat source model can largely save computing time. Besides welding, other thermal processes also affect residual stresses. - Abstract: Dissimilar metal welds are commonly used in nuclear power plants to connect low alloy steel components and austenitic stainless steel piping systems. The integrity assessment and life estimation for such welded structures require consideration of residual stresses induced by manufacturing processes. Because the fabrication process of dissimilar metal weld joints is considerably complex, it is very difficult to accurately predict residual stresses. In this study, both numerical simulation technology and experimental method were used to investigate welding residual stress distribution in a dissimilar metal pipe joint with a medium diameter, which were performed by a multi-pass welding process. Firstly, an experimental mock-up was fabricated to measure the residual stress distributions on the inside and the outside surfaces. Then, a time-effective 3-D finite element model was developed to simulate welding residual stresses through using a simplified moving heat source. The simplified heat source method could complete the thermo-mechanical analysis in an acceptable time, and the simulation results generally matched the measured data near the weld zone. Through comparing the simulation results and the experimental measurements, we can infer that besides the multi-pass welding process other key manufacturing processes such as cladding, buttering and heat treatment should also be taken into account to accurately predict residual stresses in the whole range of the dissimilar metal pipe.

  10. From Quasi-Planar B56 to Penta-Ring Tubular Ca©B56: Prediction of Metal-Stabilized Ca©B56 as the Embryo of Metal-Doped Boron α-Nanotubes

    Science.gov (United States)

    Tian, Wen-Juan; Chen, Qiang; Tian, Xin-Xin; Mu, Yue-Wen; Lu, Hai-Gang; Li, Si-Dian

    2016-11-01

    Motifs of planar metalloborophenes, cage-like metalloborospherenes, and metal-centered double-ring tubular boron species have been reported. Based on extensive first-principles theory calculations, we present herein the possibility of doping the quasi-planar C2v B56 (A-1) with an alkaline-earth metal to produce the penta-ring tubular Ca©B56 (B-1) which is the most stable isomer of the system obtained and can be viewed as the embryo of metal-doped (4,0) boron α-nanotube Ca©BNT(4,0) (C-1). Ca©BNT(4,0) (C-1) can be constructed by rolling up the most stable boron α-sheet and is predicted to be metallic in nature. Detailed bonding analyses show that the highly stable planar C2v B56 (A-1) is the boron analog of circumbiphenyl (C38H16) in π-bonding, while the 3D aromatic C4v Ca©B56 (B-1) possesses a perfect delocalized π system over the σ-skeleton on the tube surface. The IR and Raman spectra of C4v Ca©B56 (B-1) and photoelectron spectrum of its monoanion C4v Ca©B56‑ are computationally simulated to facilitate their spectroscopic characterizations.

  11. Apply Woods Model in the Predictions of Ambient Air Particles and Metallic Elements (Mn, Fe, Zn, Cr, and Cu at Industrial, Suburban/Coastal, and Residential Sampling Sites

    Directory of Open Access Journals (Sweden)

    Guor-Cheng Fang

    2012-01-01

    Full Text Available The main purpose for this study was to monitor ambient air particles and metallic elements (Mn, Fe, Zn, Cr, and Cu in total suspended particulates (TSPs concentration, dry deposition at three characteristic sampling sites of central Taiwan. Additionally, the calculated/measured dry deposition flux ratios of ambient air particles and metallic elements were calculated with Woods models at these three characteristic sampling sites during years of 2009-2010. As for ambient air particles, the results indicated that the Woods model generated the most accurate dry deposition prediction results when particle size was 18 μm in this study. The results also indicated that the Woods model exhibited better dry deposition prediction performance when the particle size was greater than 10 μm for the ambient air metallic elements in this study. Finally, as for Quan-xing sampling site, the main sources were many industrial factories under process around these regions and were severely polluted areas. In addition, the highest average dry deposition for Mn, Fe, Zn, and Cu species occurred at Bei-shi sampling site, and the main sources were the nearby science park, fossil fuel combustion, and Taichung thermal power plant (TTPP. Additionally, as for He-mei sampling site, the main sources were subjected to traffic mobile emissions.

  12. Investigation of soil properties influence on the heavy metals sorption by plants and possibilities for prediction of their bioaccumulation by response surface methodology

    Directory of Open Access Journals (Sweden)

    Veličković Zlate

    2016-01-01

    Full Text Available The aim of this study was to determine soil properties influence on the heavy metals sorption by vegetables which are used in the diet and possibilities for prediction of their bioaccumulation by response surface methodology (RSM. Lettuce was used as biosorbent, and cadmium (Cd and lead (Pb were used as contaminants. Lettuce is grown on compost (previously contaminated with different concentrations of Cd and Pb which pH was adjusted with different amounts of NPK fertilizers. The content of heavy metals was determined by ICP-MS. Results showed that Cd content in lettuce was below the toxic values, but Pb concentration was above allowable, which indicates that limit value for Pb is not set in accordance with the food safety regulations. It was found that the heavy metals accumulation in plants depends not only on its content in the soil, but also on the plant affinity to the specific metal, and the individual or the interactive effects of different soil properties. Through the transfer factor it was found that lettuce has a much higher affinity to Cd in relation to Pb. RSM has proved to be very good for the examination of a large number of variables with a small number of experiments.

  13. Geofractionation of heavy metals and application of indices for pollution prediction in paddy field soil of Tumpat, Malaysia.

    Science.gov (United States)

    Sow, Ai Yin; Ismail, Ahmad; Zulkifli, Syaizwan Zahmir

    2013-12-01

    The present study investigates the concentration of Pb, Cd, Ni, Zn, and Cu in the paddy field soils collected from Tumpat, Kelantan. Soil samples were treated with sequential extraction to distinguish the anthropogenic and lithogenic origin of Pb, Cd, Ni, Zn, and Cu. ELFE and oxidizable-organic fractions were detected as the lowest accumulation of Pb, Cd, Ni, Zn, and Cu. Therefore, all the heavy metals examined were concentrated, particularly in resistant fraction, indicating that those heavy metals occurred and accumulated in an unavailable form. The utilization of agrochemical fertilizers and pesticides might not elevate the levels of heavy metals in the paddy field soils. In comparison, the enrichment factor and geoaccumulation index for Pb, Cd, Ni, Zn, and Cu suggest that these heavy metals have the potential to cause environmental risk, although they present abundance in resistant fraction. Therefore, a complete study should be conducted based on the paddy cycle, which in turn could provide a clear picture of heavy metals distribution in the paddy field soils.

  14. Reactions and Electrochemical Kinetics of Newly-Generated Metal Surfaces

    Science.gov (United States)

    1975-07-01

    Published as a Result of this Contract Work) 1. "One-Dimensional Pits in Titanium," presented at Electrochemical Society , Miami Beach, Florida...Alkire, to be presented at Electrochemical Society , Dallas, Texas, October, 1975. (Extended Abstra’ct in App~adix 1), to he submitted to 1. Electrochem...Soc.) Reprints submitted to AFOSR with 1)I)1473 Appendix A Electrochemical Society Boston, Mass. October, 1973 bst.ract No. 99 FO"ATION AN) PROPERTIES

  15. Predicted energy densitites for nickel-hydrogen and silver-hydrogen cells embodying metallic hydrides for hydrogen storage

    Science.gov (United States)

    Easter, R. W.

    1974-01-01

    Simplified design concepts were used to estimate gravimetric and volumetric energy densities for metal hydrogen battery cells for assessing the characteristics of cells containing metal hydrides as compared to gaseous storage cells, and for comparing nickel cathode and silver cathode systems. The silver cathode was found to yield superior energy densities in all cases considered. The inclusion of hydride forming materials yields cells with very high volumetric energy densities that also retain gravimetric energy densities nearly as high as those of gaseous storage cells.

  16. Predicting impurity gases and phases during hydrogen evolution from complex metal hydrides using free energy minimization enabled by first-principles calculations.

    Science.gov (United States)

    Kim, Ki Chul; Allendorf, Mark D; Stavila, Vitalie; Sholl, David S

    2010-09-07

    First-principles calculations represent a potent tool for screening metal hydride mixtures that can reversibly store hydrogen. A number of promising new hydride systems with high hydrogen capacity and favorable thermodynamics have been predicted this way. An important limitation of these studies, however, is the assumption that H(2) is the only gas-phase product of the reaction, which is not always the case. This paper summarizes new theoretical and numerical approaches that can be used to predict thermodynamic equilibria in complex metal hydride systems with competing reaction pathways. We report thermochemical equilibrium calculations using data obtained from density functional theory (DFT) computations to describe the possible occurrence of gas-phase products other than H(2) in three complex hydrides, LiNH(2), LiBH(4), and Mg(BH(4))(2), and mixtures of these with the destabilizing compounds LiH, MgH(2), and C. The systems under investigation contain N, C, and/or B and thus have the potential to evolve N(2), NH(3), hydrocarbons, and/or boranes as well as H(2). Equilibria as a function of both temperature and total pressure are predicted. The results indicate that significant amounts of these species can form under some conditions. In particular, the thermodynamic model predicts formation of N(2) and NH(3) as products of LiNH(2) decomposition. Comparison with published experimental data indicates that N(2) formation must be kinetically limited. Our examination of C-containing systems indicates that methane is the stable gas-phase species at low temperatures, not H(2). On the other hand, very low amounts of boranes (primarily BH(3)) are predicted to form in B-containing systems.

  17. Heavy metal pollution in topsoils near a cement plant: the role of organic matter and distance to the source to predict total and hcl-extracted heavy metal concentrations.

    Science.gov (United States)

    Bermudez, Gonzalo M A; Moreno, Mónica; Invernizzi, Rodrigo; Plá, Rita; Pignata, María Luisa

    2010-01-01

    Heavy metal and trace element concentrations were examined in topsoils to evaluate a cement plant and an industrial waste incinerator as pollution sources. As, Ba, Ca, Ce, Co, Cr, Cs, Eu, Fe, Hf, K, La, Lu, Na, Nd, Rb, Sb, Sc, Se, Sm, Ta, Tb, Th, U, Yb and Zn were measured by Neutron Activation Analysis (NAA), and Co, Cu, Fe, Ni, Pb and Zn by a 0.5M-hydrochloric extraction technique using an Atomic Absorption Spectrophotometer (AAS). The Cr total concentration and HCl-extracted Co and Mn were possibly related to wind transportation from an industrial area in the north of Córdoba city (Argentina). Cu, Pb and Zn in partial HCl extraction were influenced by the cement plant and the industrial area in the north of Córdoba city. The mean total Ba concentration was above the residential and agricultural land use limits stated in national and international legislation and was related to the distance to the cement plant. The concentrations of HCl-extracted heavy metals could be predicted by the organic matter percentage and the distance to the cement plant (with R(2) values of 0.50-0.74). The Ca total concentration was seen to have little influence whereas the organic matter percentage strongly affected HCl-extracted heavy metals according to the correlation analysis and multiple regression models. According to soil quality guidelines for environmental health, the human and wildlife populations in Yocsina might be experiencing toxic Ba and Cr effects.

  18. Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides.

    Science.gov (United States)

    Toropova, Alla P; Toropov, Andrey A; Benfenati, Emilio; Korenstein, Rafi; Leszczynska, Danuta; Leszczynski, Jerzy

    2015-01-01

    Systematization of knowledge on nanomaterials has become a necessity with the fast growth of applications of these species. Building up predictive models that describe properties (both beneficial and hazardous) of nanomaterials is vital for computational sciences. Classic quantitative structure-property/activity relationships (QSPR/QSAR) are not suitable for investigating nanomaterials because of the complexity of their molecular architecture. However, some characteristics such as size, concentration, and exposure time can influence endpoints (beneficial or hazardous) related to nanoparticles and they can therefore be involved in building a model. Application of the optimal descriptors calculated with the so-called correlation weights of various concentrations and different exposure times are suggested in order to build up a predictive model for cell membrane damage caused by a series of nano metal-oxides. The numerical data on correlation weights are calculated by the Monte Carlo method. The obtained results are in good agreement with the experimental data.

  19. Value of a newly sequenced bacterial genome

    DEFF Research Database (Denmark)

    Barbosa, Eudes; Aburjaile, Flavia F; Ramos, Rommel Tj

    2014-01-01

    and annotation will not be undertaken. It is important to know what is lost when we settle for a draft genome and to determine the "scientific value" of a newly sequenced genome. This review addresses the expected impact of newly sequenced genomes on antibacterial discovery and vaccinology. Also, it discusses...

  20. Half-metallicity in the inverse Heusler Ti2RuSn alloy: A first-principles prediction

    Science.gov (United States)

    Taşkın, Ferhat; Atiş, Murat; Canko, Osman; Kervan, Selçuk; Kervan, Nazmiye

    2017-03-01

    The electronic and magnetic properties of the Ti2RuSn Heusler compound are investigated by means of ab initio calculations with the full-potential linearized augmented plane wave (FLAPW) method. The generalized gradient approximation (GGA) method is used for the calculations. The CuHg2Ti-type structure is energetically more stable than the AlCu2Mn-type structure. The inverse-Heusler Ti2RuSn represents half-metallic behavior. The total spin moment of the compound is 2 μB which coincides with the Slater-Pauling rule of Mt =Zt - 18 with the equilibrium lattice constant a0 = 6.44 Å and the strained lattice constants as well. The majority bands have metallic properties, but the minority bands have semiconductor properties with a gap of 0.35 eV, and the spin-flip gap is 0.23 eV. Moreover, the sensitivity of half-metallicity is investigated under two types of structural distortion, namely uniform strain and tetragonal distortion.

  1. Performance of the widely used Minnesota density functionals for the prediction of heat of formations, ionization potentials of some benchmarked first row transition metal complexes.

    Science.gov (United States)

    Shil, Suranjan; Bhattacharya, Debojit; Sarkar, Sonali; Misra, Anirban

    2013-06-13

    We have computed and investigated the performance of Minnesota density functionals especially the M05, M06, and M08 suite of complementary density functionals for the prediction of the heat of formations (HOFs) and the ionization potentials (IPs) of various benchmark complexes containing nine different first row transition metals. The eight functionals of M0X family, namely, the M05, M05-2X, M06-L, M06, M06-2X, M06-HF, M08-SO, and M08-HX are taken for the computation of the above-mentioned physical properties of such metal complexes along with popular Los Alamos National Laboratory 2 double-ζ (LANL2DZ) basis set. Total 54 benchmark systems are taken for HOF calculation, whereas the 47 systems among these benchmark complexes are chosen for the calculation of IPs because of lack of experimental results on rest of the seven systems. The computed values of HOFs and IPs are compared with the experimental results obtained from the literature. The deviation of these computed values from the actual experimental results is calculated for each eight different M0X functionals to judge their performances in evaluating these properties. Finally, a clear relationship between the exchange correlation energy of eight M0X functionals and their efficiency are made to predict the different physical properties.

  2. Simple Clinical Score to Predict 24-Week Survival Times in Patients with Inoperable Malignant Distal Biliary Obstruction as a Tool for Selecting Palliative Metallic or Plastic Stents.

    Science.gov (United States)

    Sripongpun, Pimsiri; Attasaranya, Siriboon; Chamroonkul, Naichaya; Sookpaisal, Theerapong; Khow-Ean, Uthai; Siripun, Aroon; Kongkamol, Chanon; Piratvisuth, Teerha; Ovartlarnporn, Bancha

    2017-01-17

    Endoscopic biliary drainage (EBD) is the mainstay treatment for inoperable malignant distal biliary obstruction (MDBO). Some authorities suggest that metallic stents are more cost-effective than plastic stents in patients with expected survival of at least 6 months. However, studies attempting to define the predictive factors for such survival times are limited. This study aims to develop a scoring system for predicting a survival time of clinical, laboratory, and imaging data were retrieved. The survival time data were retrieved from the medical records and Thailand's civil registration database. Multivariate Cox regression model coefficients were used in the development of a survival time prediction scoring system. Ninety-eight patients were included. The overall median survival was 17.6 weeks. Fifty-seven (58.1%) survived Clinical Score (SCS) was calculated from (2× liver metastasis) + (1× pancreatic cancer) - (2× ampullary cancer) - (1× cholangiocarcinoma), when 1 and 0 were used for the presence and absence of each factor, respectively. The cutoff value of the score ≥0 had a sensitivity and specificity of 0.77 and 0.63, respectively, for predicting a survival time of system from this study may be beneficial for clinicians to select the appropriate stents in endoscopic biliary drainage in inoperable MDBO patients.

  3. Predictive modeling, simulation, and optimization of laser processing techniques: UV nanosecond-pulsed laser micromachining of polymers and selective laser melting of powder metals

    Science.gov (United States)

    Criales Escobar, Luis Ernesto

    One of the most frequently evolving areas of research is the utilization of lasers for micro-manufacturing and additive manufacturing purposes. The use of laser beam as a tool for manufacturing arises from the need for flexible and rapid manufacturing at a low-to-mid cost. Laser micro-machining provides an advantage over mechanical micro-machining due to the faster production times of large batch sizes and the high costs associated with specific tools. Laser based additive manufacturing enables processing of powder metals for direct and rapid fabrication of products. Therefore, laser processing can be viewed as a fast, flexible, and cost-effective approach compared to traditional manufacturing processes. Two types of laser processing techniques are studied: laser ablation of polymers for micro-channel fabrication and selective laser melting of metal powders. Initially, a feasibility study for laser-based micro-channel fabrication of poly(dimethylsiloxane) (PDMS) via experimentation is presented. In particular, the effectiveness of utilizing a nanosecond-pulsed laser as the energy source for laser ablation is studied. The results are analyzed statistically and a relationship between process parameters and micro-channel dimensions is established. Additionally, a process model is introduced for predicting channel depth. Model outputs are compared and analyzed to experimental results. The second part of this research focuses on a physics-based FEM approach for predicting the temperature profile and melt pool geometry in selective laser melting (SLM) of metal powders. Temperature profiles are calculated for a moving laser heat source to understand the temperature rise due to heating during SLM. Based on the predicted temperature distributions, melt pool geometry, i.e. the locations at which melting of the powder material occurs, is determined. Simulation results are compared against data obtained from experimental Inconel 625 test coupons fabricated at the National

  4. A Thermodynamic Model for Predicting Phosphorus Partition between CaO-based Slags and Hot Metal during Hot Metal Dephosphorization Pretreatment Process Based on the Ion and Molecule Coexistence Theory

    Science.gov (United States)

    Yang, Xue-min; Li, Jin-yan; Chai, Guo-ming; Duan, Dong-ping; Zhang, Jian

    2016-08-01

    A thermodynamic model for predicting phosphorus partition L P between a CaO-based slags and hot metal during hot metal dephosphorization pretreatment process has been developed based on the ion and molecule coexistence theory (IMCT), i.e., the IMCT- L P model. The reaction abilities of structural units or ion couples in the CaO-based slags have been represented by the calculated mass action concentrations N i through the developed IMCT- N i model based on the IMCT. The developed IMCT- L P model has been verified to be valid through comparing with the measured L P as well as the predicted L P by two reported L P models from the literature. Besides the total phosphorus partition L P between the CaO-based slag and hot metal, the respective phosphorus partitions L P, i of nine dephosphorization products as P2O5, 3FeO·P2O5, 4FeO·P2O5, 2CaO·P2O5, 3CaO·P2O5, 4CaO·P2O5, 2MgO·P2O5, 3MgO·P2O5, and 3MnO·P2O5 can also be accurately predicted by the developed IMCT- L P model. The formed 3CaO·P2O5 accounts for 99.20 pct of dephosphorization products comparing with the generated 4CaO·P2O5 for 0.08 pct. The comprehensive effect of CaO+Fe t O, which can be described by the mass percentage ratio (pct Fe t O)/(pct CaO) or the mass action concentration ratio N_{Fe}t O/N_{Fe}t O N_{CaO}. N_{CaO}} as well as the mass percentage product (pct Fe t O) × (pct CaO) or the mass action concentration product N_{{{{Fe}}t {{O}}}}5 × N_{{CaO}}3 , controls dephosphorization ability of the CaO-based slags. A linear relationship of L P against (pct Fe t O)/(pct CaO) can be correlated compared with a parabolic relationship of L P against N_{Fe}t O/N_{Fe}t O N_{CaO}. N_{CaO}, while the linear relationship of L P against (pct Fe t O) × (pct CaO) or N_{Fe}t O5 × N_{CaO}3 can be established. Thus, the mass percentage product (pct Fe t O) × (pct CaO) and the mass action concentration product N_{Fe}t O5 × N_{CaO}3 are recommended to represent the comprehensive effect of CaO+Fe t O on

  5. Prediction of State-of-Health for Nickel-Metal Hydride Batteries by a Curve Model Based on Charge-Discharge Tests

    Directory of Open Access Journals (Sweden)

    Huan Yang

    2015-11-01

    Full Text Available Based on charge-discharge cycle tests for commercial nickel-metal hydride (Ni-MH batteries, a nonlinear relationship is found between the discharging capacity (Cdischarge, Ah and the voltage changes in 1 s occurring at the start of the charging process (ΔVcharge, mV. This nonlinear relationship between Cdischarge and ΔVcharge is described with a curve equation, which can be determined using a nonlinear least-squares method. Based on the curve equation, a curve model for the state-of-health (SOH prediction is constructed without battery models and cycle numbers. The validity of the curve model is verified using (Cdischarge, ΔVcharge data groups obtained from the charge-discharge cycle tests at different rates. The results indicate that the curve model can be effectively applied to predict the SOH of the Ni-MH batteries and the best prediction root-mean-square error (RMSE can reach upto 1.2%. Further research is needed to confirm the application of this empirical curve model in practical fields.

  6. Confidence in leadership among the newly qualified.

    Science.gov (United States)

    Bayliss-Pratt, Lisa; Morley, Mary; Bagley, Liz; Alderson, Steven

    2013-10-23

    The Francis report highlighted the importance of strong leadership from health professionals but it is unclear how prepared those who are newly qualified feel to take on a leadership role. We aimed to assess the confidence of newly qualified health professionals working in the West Midlands in the different competencies of the NHS Leadership Framework. Most respondents felt confident in their abilities to demonstrate personal qualities and work with others, but less so at managing or improving services or setting direction.

  7. Habenaria kilimanjari newly recorded for Namibia

    Directory of Open Access Journals (Sweden)

    Benny Bytebier

    2016-05-01

    Full Text Available Background: The orchid flora of Namibia is depauperate and as a result is poorly studied. Objectives: To further document the orchid flora of Namibia. Method: New herbarium collections were studied and the relevant published literature consulted. Results: Habenaria kilimanjari is newly recorded for Namibia. Conclusion: The newly recorded species increases our understanding of the orchid diversity in Namibia and underlines the need for continued botanical inventory work.

  8. Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: a Tool for Molecular Mass Prediction

    KAUST Repository

    Falivene, Laura

    2015-10-02

    A comparison of the steric properties of homogeneous single site catalysts for propene polymerization using the percentage of buried volume (%VBur) as molecular descriptor is reported. The %VBur calculated on the neutral precursors of the active species seems to be a reliable tool to explain several experimental data related to the propene insertion and to the monomer chain transfer. Interestingly, a linear correlation between the buried volume calculated for a large set of neutral precursors and the energetic difference between propagation and termination steps calculated by DFT methods is found for Group 4 metal catalysts. The “master curves” derived for Ti, Zr and Hf confirm not only that the %VBur is an appropriate molecular descriptor for the systems considered but also that it could be used as tool for a large computational screening of new ligands.

  9. Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M = Ti, Zr, Hf)

    Science.gov (United States)

    Zhou, Liujiang; Shao, Bin; Shi, Wujun; Sun, Yan; Felser, Claudia; Yan, Binghai; Frauenheim, Thomas

    2016-09-01

    We report the existence of the quantum spin Hall effect (QSHE) in monolayers of transition-metal carbides MC (M = Zr, Hf). Under ambient conditions, the ZrC monolayer exhibits QSHE with an energy gap of 54 meV, in which topological helical edge states exist. Enhanced d xy -d xy interaction induces band inversion, resulting in nontrivial topological features. By applying in-plane strain, the HfC monolayer can be tuned from a trivial insulator to a quantum spin Hall insulator with an energy gap of 170 meV, three times that of the ZrC monolayer. The strong stability of MC monolayers provides a new platform for QSHE and spintronic applications.

  10. Making precise predictions of the Casimir force between metallic plates via a generalized Kramers-Kronig transform

    CERN Document Server

    Bimonte, Giuseppe

    2010-01-01

    The possibility of making precise predictions for the Casimir force is essential for addressing the striking contradiction that has arisen between the a new large distance Casimir experiment with gold plates, that has been interpreted as being consistent with the so-called Drude prescription and to rule out the plasma prescription, and a series of older precise short distance experiments, which were instead interpreted as being consistent with the plasma prescription and to rule out the Drude one. In a previous paper by the author [Phys. Rev. A {\\bf 81}, 062501 (2010)] it was shown that a precise prediction of the Casimir force is possible in principle by a simple modification of the standard Kramers-Kronig relations, involving suitable analytic window functions, solely on the basis of experimental optical data in the frequency interval where they are available, without using uncontrolled data extrapolations towards zero frequency that are necessary with standard Kramers-Kronig relations. In the present paper...

  11. Application of an interface failure model to predict fatigue crack growth in an implanted metallic femoral stem.

    Science.gov (United States)

    Chen, J; Browne, M; Taylor, M; Gregson, P J

    2004-03-01

    A novel computational modelling technique has been developed for the prediction of crack growth in load bearing orthopaedic alloys subjected to fatigue loading. Elastic-plastic fracture mechanics has been used to define a three-dimensional fracture model, which explicitly models the opening, sliding and tearing process. This model consists of 3D nonlinear spring elements implemented in conjunction with a brittle material failure function, which is defined by the fracture energy for each nonlinear spring element. Thus, the fracture energy criterion is implicit in the brittle material failure function to search for crack initiation and crack development automatically. A degradation function is employed to reduce interfacial fracture properties corresponding to the number of cycles; thus fatigue lifetime can be predicted. Unlike other failure modelling methods, this model predicts the failure load, crack path and residual stiffness directly without assuming any pre-flaw condition. As an example, fatigue of a cobalt based alloy (CoCrMo) femoral stem is simulated. Experimental fatigue data was obtained from four point bending tests. The finite element model simulated a fully embedded implant with a constant point load. Comparison between the model and mechanical test results showed good agreement in fatigue crack growth rate.

  12. Metallic Hydrogen

    Science.gov (United States)

    Silvera, Isaac; Zaghoo, Mohamed; Salamat, Ashkan

    2015-03-01

    Hydrogen is the simplest and most abundant element in the Universe. At high pressure it is predicted to transform to a metal with remarkable properties: room temperature superconductivity, a metastable metal at ambient conditions, and a revolutionary rocket propellant. Both theory and experiment have been challenged for almost 80 years to determine its condensed matter phase diagram, in particular the insulator-metal transition. Hydrogen is predicted to dissociate to a liquid atomic metal at multi-megabar pressures and T =0 K, or at megabar pressures and very high temperatures. Thus, its predicted phase diagram has a broad field of liquid metallic hydrogen at high pressure, with temperatures ranging from thousands of degrees to zero Kelvin. In a bench top experiment using static compression in a diamond anvil cell and pulsed laser heating, we have conducted measurements on dense hydrogen in the region of 1.1-1.7 Mbar and up to 2200 K. We observe a first-order phase transition in the liquid phase, as well as sharp changes in optical transmission and reflectivity when this phase is entered. The optical signature is that of a metal. The mapping of the phase line of this transition is in excellent agreement with recent theoretical predictions for the long-sought plasma phase transition to metallic hydrogen. Research supported by the NSF, Grant DMR-1308641, the DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H.

  13. Performance of the TPSS Functional on Predicting Core Level Binding Energies of Main Group Elements Containing Molecules: A Good Choice for Molecules Adsorbed on Metal Surfaces.

    Science.gov (United States)

    Pueyo Bellafont, Noèlia; Viñes, Francesc; Illas, Francesc

    2016-01-12

    Here we explored the performance of Hartree-Fock (HF), Perdew-Burke-Ernzerhof (PBE), and Tao-Perdew-Staroverov-Scuseria (TPSS) functionals in predicting core level 1s binding energies (BEs) and BE shifts (ΔBEs) for a large set of 68 molecules containing a wide variety of functional groups for main group elements B → F and considering up to 185 core levels. A statistical analysis comparing with X-ray photoelectron spectroscopy (XPS) experiments shows that BEs estimations are very accurate, TPSS exhibiting the best performance. Considering ΔBEs, the three methods yield very similar and excellent results, with mean absolute deviations of ∼0.25 eV. When considering relativistic effects, BEs deviations drop approaching experimental values. So, the largest mean percentage deviation is of 0.25% only. Linear trends among experimental and estimated values have been found, gaining offsets with respect to ideality. By adding relativistic effects to offsets, HF and TPSS methods underestimate experimental values by solely 0.11 and 0.05 eV, respectively, well within XPS chemical precision. TPSS is posed as an excellent choice for the characterization, by XPS, of molecules on metal solid substrates, given its suitability in describing metal substrates bonds and atomic and/or molecular orbitals.

  14. Determination of Atterberg limits using newly devised mud press machine

    Science.gov (United States)

    Kayabali, Kamil; Akturk, Ozgur; Fener, Mustafa; Ozkeser, Ali; Ustun, Ayla Bulut; Dikmen, Orhan; Harputlugil, Furkan; Asadi, Ramin

    2016-04-01

    Consistency limits are one of the most prominent parameters to be determined in geotechnical investigations. While these limits are akin to one another, different tools determine each one. Each method of determining consistency limits has its own uncertainties, the operator dependency being the top source of uncertainty. Liquid limit (LL) and plastic limit (PL) tests have a number of uncertainties affecting the test results. The very speculative nature of the bead-rolling method for the plastic limit has long been known. Besides this, its results can be barely accepted as quantitative. In the past, a number of attempts have been made to eliminate these setbacks for Atterberg limits. The scope of this investigation is to evaluate the potential of newly developed "mud press method (MPM)" to predict the two consistency limits. The material employed for this investigation covers 275 soils, whose liquid limits range from 28 to 166. The log(a) and 1/b parameters obtained from the MPM method were correlated to results of the conventional methods. The PL and LL for each soil were predicted using empirical forms and were compared with the laboratory values. Remarkably good matches were obtained between the conventionally determined test results and the predicted values for the liquid and plastic limits. The newly developed tool is superior in several aspects to the available conventional methods and tools.

  15. Prediction of an arc-tunable Weyl Fermion metallic state in MoxW1-xTe2

    Science.gov (United States)

    Chang, Tay-Rong; Xu, Su-Yang; Chang, Guoqing; Lee, Chi-Cheng; Huang, Shin-Ming; Wang, Baokai; Bian, Guang; Zheng, Hao; Sanchez, Daniel S.; Belopolski, Ilya; Alidoust, Nasser; Neupane, Madhab; Bansil, Arun; Jeng, Horng-Tay; Lin, Hsin; Zahid Hasan, M.

    2016-02-01

    A Weyl semimetal is a new state of matter that hosts Weyl fermions as emergent quasiparticles. The Weyl fermions correspond to isolated points of bulk band degeneracy, Weyl nodes, which are connected only through the crystal's boundary by exotic Fermi arcs. The length of the Fermi arc gives a measure of the topological strength, because the only way to destroy the Weyl nodes is to annihilate them in pairs in the reciprocal space. To date, Weyl semimetals are only realized in the TaAs class. Here, we propose a tunable Weyl state in MoxW1-xTe2 where Weyl nodes are formed by touching points between metallic pockets. We show that the Fermi arc length can be changed as a function of Mo concentration, thus tuning the topological strength. Our results provide an experimentally feasible route to realizing Weyl physics in the layered compound MoxW1-xTe2, where non-saturating magneto-resistance and pressure-driven superconductivity have been observed.

  16. First-principles prediction of the magnetism of 4f rare-earth-metal-doped wurtzite zinc oxide

    Institute of Scientific and Technical Information of China (English)

    AG El Hachimi; H Zaari; A Benyoussef; M El Yadari; A El Kenz

    2014-01-01

    Electronic structure and magnetic properties of wurtzite ZnO semiconductor doped with rare earth (RE=La, Ce, Pr, Pm, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm and Yb) atoms were studied using spin-polarized density functional theory based on the full-potential linear augmented plane wave (FP-LAPW) method as implemented in the Wien2k code. In this approach the generalized gradient ap-proximation (GGA) was used for the exchange-correlation (XC) potential. Our results showed that the substitution of RE ions in ZnO induced spins polarized localized states in the band gap. Moreover, the studied DMSs compounds retained half metallicity at dopant concentration x=0.625%for most of the studied elements, with 100%spin polarization at the Fermi level (EF). The total magnetic moments of these compounds existed due to RE 4f states present at EF, while small induced magnetic moments existed on other non-magnetic atoms as well. Finally, the energy difference between far and near configurations was investigated. It was found that the room temperature ferromagnetism was possible for RE-doped ZnO at near configuration. Since the RE-RE separation was long enough (far configuration) for magnetic coupling, the system became paramagnetic or antiferromagnetic ground state.

  17. Geometrical Properties Can Predict CO2 and N2 Adsorption Performance of Metal-Organic Frameworks (MOFs) at Low Pressure.

    Science.gov (United States)

    Fernandez, Michael; Barnard, Amanda S

    2016-05-09

    Metal-organic frameworks (MOFs) are nanoporous materials with exceptional host-guest properties poised for groundbreaking innovations in gas separation applications according to high-throughput (HT) screening data. However, MOF structural libraries are nearly infinite in practice and so statistical and information technology will play a fundamental role in implementing and rationalizing MOF virtual screening. In this work, we apply k-means clustering and archetypal analysis (AA) to identify the truly significant nanoporous structures in a large library of ∼82 000 virtual MOFs. Quantitative structure-property relationship (QSPR) models of the theoretical CO2 and N2 uptake capacities were also developed using a calibration set of ∼16 000 hypothetical MOF structures derived from the prototypes and archetype frameworks. Since uptake capacities correlated poorly to the void fraction, surface area and pore size but these properties were used to build binary classifier predictors that successfully identify "high-performing" nanoporous materials in an external test set of ∼65 000 MOFs with accuracy higher than 94%. The accuracy of the classification decreased for MOFs with fluorine substituents. The classification models can serve as efficient filtering tools to detecting promising high-performing candidates at the early stage of virtual high-throughput screening of novel porous materials.

  18. Non-metallic coating thickness prediction using artificial neural network and support vector machine with time resolved thermography

    Science.gov (United States)

    Wang, Hongjin; Hsieh, Sheng-Jen; Peng, Bo; Zhou, Xunfei

    2016-07-01

    A method without requirements on knowledge about thermal properties of coatings or those of substrates will be interested in the industrial application. Supervised machine learning regressions may provide possible solution to the problem. This paper compares the performances of two regression models (artificial neural networks (ANN) and support vector machines for regression (SVM)) with respect to coating thickness estimations made based on surface temperature increments collected via time resolved thermography. We describe SVM roles in coating thickness prediction. Non-dimensional analyses are conducted to illustrate the effects of coating thicknesses and various factors on surface temperature increments. It's theoretically possible to correlate coating thickness with surface increment. Based on the analyses, the laser power is selected in such a way: during the heating, the temperature increment is high enough to determine the coating thickness variance but low enough to avoid surface melting. Sixty-one pain-coated samples with coating thicknesses varying from 63.5 μm to 571 μm are used to train models. Hyper-parameters of the models are optimized by 10-folder cross validation. Another 28 sets of data are then collected to test the performance of the three methods. The study shows that SVM can provide reliable predictions of unknown data, due to its deterministic characteristics, and it works well when used for a small input data group. The SVM model generates more accurate coating thickness estimates than the ANN model.

  19. Serum Lipids and Lipoproteins Levels and Selected Trace Metals In ...

    African Journals Online (AJOL)

    Serum Lipids and Lipoproteins Levels and Selected Trace Metals In Newly ... This study aim to determine the serum levels of trace metals and correlate same with serum levels of lipoproteins (an established marker of HBP) in ... Article Metrics.

  20. Effects of the use of a flat wire electrode in gas metal arc welding and fuzzy logic model for the prediction of weldment shape profile

    Energy Technology Data Exchange (ETDEWEB)

    Karuthapandi, Sripriyan; Thyla, P. R. [PSG College of Technology, Coimbatore (India); Ramu, Murugan [Amrita University, Ettimadai (India)

    2017-05-15

    This paper describes the relationships between the macrostructural characteristics of weld beads and the welding parameters in Gas metal arc welding (GMAW) using a flat wire electrode. Bead-on-plate welds were produced with a flat wire electrode and different combinations of input parameters (i.e., welding current, welding speed, and flat wire electrode orientation). The macrostructural characteristics of the weld beads, namely, deposition, bead width, total bead width, reinforcement height, penetration depth, and depth of HAZ were investigated. A mapping technique was employed to measure these characteristics in various segments of the weldment zones. Results show that the use of a flat wire electrode improves the depth-to-width (D/W) ratio by 16.5 % on average compared with the D/W ratio when a regular electrode is used in GMAW. Furthermore, a fuzzy logic model was established to predict the effects of the use of a flat electrode on the weldment shape profile with varying input parameters. The predictions of the model were compared with the experimental results.

  1. Newly graduated nurses' use of knowledge sources

    DEFF Research Database (Denmark)

    Voldbjerg, Siri Lygum; Grønkjaer, Mette; Sørensen, Erik Elgaard;

    2016-01-01

    AIM: To advance evidence on newly graduated nurses' use of knowledge sources. BACKGROUND: Clinical decisions need to be evidence-based and understanding the knowledge sources that newly graduated nurses use will inform both education and practice. Qualitative studies on newly graduated nurses' use...... of knowledge sources are increasing though generated from scattered healthcare contexts. Therefore, a metasynthesis of qualitative research on what knowledge sources new graduates use in decision-making was conducted. DESIGN: Meta-ethnography. DATA SOURCES: Nineteen reports, representing 17 studies, published...... sources during their first 2-year postgraduation were interpreted in the main theme 'self and others as knowledge sources,' with two subthemes 'doing and following' and 'knowing and doing,' each with several elucidating categories. The metasynthesis revealed a line of argument among the report findings...

  2. Meeting and activating the newly unemployed

    DEFF Research Database (Denmark)

    Rotger, Gabriel Pons

    Exposing newly unemployed workers to intensive activation aims to enhancing individual employment through its effects on search incentives and skills. However if the incentive effect is missing, activation may reduce the job search activity of many employable individuals by locking them in a time...... activation, contrary to job search meetings, reduces employment and increases sickness benefit claims.......-demanding activity. As intensive activation is usually accompanied by intensive search monitoring, it is important to disentangling the contribution of the costly activation programs from that of caseworker meetings. Using Danish data for the period 2010-13, the paper shows that requiring newly unemployed intensive...

  3. First-Principles Prediction of Electronic, Magnetic, and Optical Properties of Co2MnAs Full-Heusler Half-Metallic Compound

    Science.gov (United States)

    Bakhshayeshi, A.; Sarmazdeh, M. Majidiyan; Mendi, R. Taghavi; Boochani, A.

    2016-12-01

    Electronic, magnetic, and optical properties of Co2MnAs full-Heusler compound have been calculated using a first-principles approach with the full-potential linearized augmented plane-wave (FP-LAPW) method and generalized gradient approximation plus U (GGA + U). The results are compared with various properties of Co2MnZ (Z = Si, Ge, Al, Ga, Sn) full-Heusler compounds. The results of our calculations show that Co2MnAs is a half-metallic ferromagnetic compound with 100% spin polarization at the Fermi level. The total magnetic moment and half-metallic gap of Co2MnAs compound are found to be 6.00μ B and 0.43 eV, respectively. It is also predicted that the spin-wave stiffness constant and Curie temperature of Co2MnAs compound are about 3.99 meV nm2 and 1109 K, respectively. The optical results show that the dominant behavior, at energy below 2 eV, is due to interactions of free electrons in the system. Interband optical transitions have been calculated based on the imaginary part of the dielectric function and analysis of critical points in the second energy derivative of the dielectric function. The results show that there is more than one plasmon energy for Co2MnAs compound, with the highest occurring at 25 eV. Also, the refractive index variations and optical reflectivity for radiation at normal incidence are calculated for Co2MnAs. Because of its high magnetic moment, high Curie temperature, and 100% spin polarization at the Fermi level as well as its optical properties, Co2MnAs is a good candidate for use in spintronic components and magnetooptical devices.

  4. Prediction of half-metallic ferromagnetism (HMF) in hypothetical Heusler compound Co{sub 2}VSb using modified Becke Johnson (mBJ) potential

    Energy Technology Data Exchange (ETDEWEB)

    Rai, D.P., E-mail: dibyaprakashrai@gmail.com [Beijing Computational Science Research Center, Heqing Rd. 3, Beijing 100084 (China); Maibam, J. [Department of Physics, Manipur University, Canchipur 795003 (India); Sharma, B.I. [Department of Physics, Assam University, Silchar 788 011 (India); Shankar, A.; Sandeep,; Thapa, R.K. [Department of Physics, Mizoram University, Aizawl 796004 (India); Ke, San Huang [Beijing Computational Science Research Center, Heqing Rd. 3, Beijing 100084 (China); Key Laboratory of Advanced Microstructure Materials, MOE, Dept. of Physics, Tongji University, 1239 Siping Rd. Shanghai 200092 (China)

    2014-03-15

    Highlights: • Half-metallic ferromagnetism were studied using GGA, LSDA+U and mBJ. • The calculated magnetic moment of 4.00 μ{sub B} (LSDA+U and mBJ). • mBJ is more effective to band gap calculation as compare to others. -- Abstract: In search of half-metallic ferromagnetism, we have studied the electronic and magnetic properties of Co{sub 2}VSb by using the different tools like GGA, LSDA+U and mBJ potential based on density functional theory (DFT). The compound Co{sub 2}VSb is analogous to Co{sub 2}VAl, Co{sub 2}VSn and Co{sub 2}VGa , these compounds were studied theoretically and experimentally by Buschow and Engen. We expect the similar kind of properties from Co{sub 2}VSb as that of Co{sub 2}VAl, Co{sub 2}VSn and Co{sub 2}VGa. The mBJ potential is considered to be more effective as compared to LDA and GGA which gives higher value of band gap. The theoretical lattice constant obtained from volume optimization is 6.072 Å. The calculated value of energy gaps was found to be 0.20 eV, 1.00 eV and 1.30 eV for GGA, LSDA+U and mBJ respectively. Our results of band gap calculation predicts that mBJ overestimate the results of GGA, LSDA and LSDA+U.

  5. Predicting Microstructure and Microsegregation in Multicomponent Aluminum Alloys

    Science.gov (United States)

    Yan, Xinyan; Ding, Ling; Chen, ShuangLin; Xie, Fanyou; Chu, M.; Chang, Y. Austin

    Accurate predictions of microstructure and microsegregation in metallic alloys are highly important for applications such as alloy design and process optimization. Restricted assumptions concerning the phase diagram could easily lead to erroneous predictions. The best approach is to couple microsegregation modeling with phase diagram computations. A newly developed numerical model for the prediction of microstructure and microsegregation in multicomponent alloys during dendritic solidification was introduced. The micromodel is directly coupled with phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANDAT. Solid state back diffusion, undercooling and coarsening effects are included in this model, and the experimentally measured cooling curves are used as the inputs to carry out the calculations. This model has been used to predict the microstructure and microsegregation in two multicomponent aluminum alloys, 2219 and 7050. The calculated values were confirmed using results obtained from directional solidification.

  6. The practical skills of newly qualified nurses

    DEFF Research Database (Denmark)

    Danbjørg, Dorthe Boe; Birkelund, Regner

    2011-01-01

    This paper reports the findings from a study of newly qualified nurses and which subjects the nurses regarded as the most important in order to be able to live up to the requirements of clinical practice, and how they experience their potential for developing practical and moral skills, after...

  7. Monoballism Associated with Newly Onset Ketotic Hyperglycemia

    Directory of Open Access Journals (Sweden)

    Dilek Ersil Soysal

    2012-01-01

    Full Text Available Movement disorders as the initial symptoms of diabetes mellitus are rare. Here, we describe one of these rare manifestations of primary diabetes: a case of newly diagnosed diabetes mellitus in an old-age female patient with transient monoballismus during an episode of ketotic hyperglycemia.

  8. Meeting and activating the newly unemployed

    DEFF Research Database (Denmark)

    Rotger, Gabriel Pons

    Exposing newly unemployed workers to intensive activation aims to enhancing individual employment through its effects on search incentives and skills. However if the incentive effect is missing, activation may reduce the job search activity of many employable individuals by locking them in a time...... activation, contrary to job search meetings, reduces employment and increases sickness benefit claims....

  9. Residual Lifetime Prediction of Metallized Film Pulse Capacitors%金属化膜脉冲电容器剩余寿命预测方法研究

    Institute of Scientific and Technical Information of China (English)

    彭宝华; 周经伦; 冯静; 刘学敏

    2011-01-01

    金属化膜脉冲电容器是惯性约束聚变激光装置的重要元器件之一,其寿命预测是激光装置维护和备件决策制定的依据.在分析金属化膜脉冲电容器退化失效机理的基础上,采用Wiener过程描述其性能退化过程.进一步考虑到各电容器之间的差异,将Wiener过程的漂移参数和扩散参数看成随机变量,提出了随机效果Wiener过程模型,由同一批电容器的历史性能退化数据拟合其分布,在对单个电容器进行寿命预测时,采用Bayes方法融合电容器总体信息与该电容器自身的性能退化信息,得到其剩余寿命参数的验后估计,因而在电容器性能退化数据较少时采用该方法能提高剩余寿命预测精度.%The metallized film capacitor is one of the most important types of components of the laser driver in inertial fusion facility.The residual lifetime of the capacitor is of great value in maintenance and spare parts decision making.We used the Wiener process to model the degradation process based on an analysis of the capacitance degradation mechanism of the metallized film capacitor. Taking the inherent difference of each capacitor into consideration, we proposed to use the Wiener process with random effect, where the drift and diffusion parameters of the Wiener process were treated as random variables, whose distribution were estimated using the degradation data from other capacitors from the same batch. When predicting the residual lifetime of a particular capacitor, a Bayesian method was used to integrate its degradation data and the batch information. Posterior distribution of the residual lifetime parameters were deduced. The proposed method can improve the precision of prediction when its degradation data are few.

  10. Establishment probability in newly founded populations

    Directory of Open Access Journals (Sweden)

    Gusset Markus

    2012-06-01

    Full Text Available Abstract Background Establishment success in newly founded populations relies on reaching the established phase, which is defined by characteristic fluctuations of the population’s state variables. Stochastic population models can be used to quantify the establishment probability of newly founded populations; however, so far no simple but robust method for doing so existed. To determine a critical initial number of individuals that need to be released to reach the established phase, we used a novel application of the “Wissel plot”, where –ln(1 – P0(t is plotted against time t. This plot is based on the equation P0t=1–c1e–ω1t, which relates the probability of extinction by time t, P0(t, to two constants: c1 describes the probability of a newly founded population to reach the established phase, whereas ω1 describes the population’s probability of extinction per short time interval once established. Results For illustration, we applied the method to a previously developed stochastic population model of the endangered African wild dog (Lycaon pictus. A newly founded population reaches the established phase if the intercept of the (extrapolated linear parts of the “Wissel plot” with the y-axis, which is –ln(c1, is negative. For wild dogs in our model, this is the case if a critical initial number of four packs, consisting of eight individuals each, are released. Conclusions The method we present to quantify the establishment probability of newly founded populations is generic and inferences thus are transferable to other systems across the field of conservation biology. In contrast to other methods, our approach disaggregates the components of a population’s viability by distinguishing establishment from persistence.

  11. The Close Relationships between the Crystal Structures of MO and MSO 4 (M = Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO 4

    KAUST Repository

    Derzsi, Mariana

    2013-08-21

    The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Fiberoptic metal detector capable of profile detection

    OpenAIRE

    Hua, Wei-Shu; Hooks, Joshua R.; Erwin, Nicholas A.; Wu, Wen-Jong; Wang, Wei-Chih

    2011-01-01

    The purpose of this paper is to develop a novel ferromagnetic polymeric metal detector system by using a fiber-optic Mach-Zehnder interferometer with a newly developed ferromagnetic polymer as the magnetostrictive sensing device. This ferromagnetic polymeric metal detector system is simple to fabricate, small in size, and resistant to RF interference (which is common in typical electromagnetic type metal detectors). Metal detection is made possible by disrupting the magnetic flux density pres...

  13. The practical skills of newly qualified nurses.

    Science.gov (United States)

    Danbjørg, Dorthe Boe; Birkelund, Regner

    2011-02-01

    This paper reports the findings from a study of newly qualified nurses and which subjects the nurses regarded as the most important in order to be able to live up to the requirements of clinical practice, and how they experience their potential for developing practical and moral skills, after the decrease in practical training. A qualitative approach guided the research process and the analysis of the data. The data was collected by participant observation and qualitative interviews with four nurses as informants. The conclusions made in this study are based on the statements and the observations of the newly qualified nurses. Our findings are discussed in relation to the Aristotelian concept and other relevant literature. The main message is that the newly qualified nurses did not feel equipped when they finished their training. This could be interpreted as a direct consequence of the decrease in practical training. Our study also underlines that the way nursing theory is perceived and taught is problematic. The interviews revealed that the nurses think that nursing theories should be applied directly in practice. This misunderstanding is probably also applicable to the teachers of the theories.

  14. Formability Prediction of Advanced High Strength Steel with a New Ductile Fracture Criterion

    Science.gov (United States)

    Lou, Yanshan; Lim, Sungjun; Huh, Jeehyang; Huh, Hoon

    2011-08-01

    A ductile fracture criterion is newly proposed to accurately predict forming limit diagrams (FLD) of sheet metals. The new ductile fracture criterion is based on the effect of the non-dimensional stress triaxiality, the stress concentration factor and the effective plastic strain on the nucleation, growth and coalescence of voids. The new ductile fracture criterion has been applied to estimate the formability of four kind advanced high strength steels (AHSS): DP780, DP980, TRIP590, and TWIP980. FLDs predicted are compared with experimental results and those predicted by other ductile fracture criteria. The comparison demonstrates that FLDs predicted by the new ductile fracture criterion are in better agreement with experimental FLDs than those predicted by other ductile fracture criteria. The better agreement of FLDs predicted by the new ductile fracture criterion is because conventional ductile fracture criteria were proposed for fracture prediction in bulk metal forming while the new one is proposed to predict the onset of fracture in sheet metal forming processes.

  15. A 2D hydro-morphodynamic modelling approach for predicting suspended sediment propagation and related heavy metal contamination in floodplains: a sensitivity analysis

    Science.gov (United States)

    Hostache, Renaud; Hissler, Christophe; Matgen, Patrick; Guignard, Cédric; Bates, Paul

    2014-05-01

    Recent years have seen a growing awareness for the central role that fine sediment loads play in transport and diffusion of pollutants by rivers and streams. Suspended sediment can potentially carry important amounts of nutrients and contaminants, such as trace metals among which some are recognized as Potential Harmful Elements (PHE). These threaten water quality in rivers and wetlands and soil quality in floodplains. Currently, many studies focusing on sediment transport modelling deal with marine and estuarine areas. Some studies evaluate sediment transport at basin scales and often evaluate yearly sediment fluxes using hydrologic and simplified hydraulic models. Some more theoretical studies develop and improve numerical models on the basis of physical model experiments. As a matter of fact, sediment transport modelling in small rivers at reach/floodplain scale is a rather new research field. In this study, we aim at simulating sediment transport at the floodplain scale and the single flood event scale in order to predict sediment spreading on alluvial soils. This simulation will help for the estimation of the potential pollution of soils due to the transport of PHEs by suspended sediments. The model is based upon the Telemac hydro-informatic system (i.e. dynamical coupling of Telemac-2D and Sysiphe). As empirical and semi-empirical parameters need to be calibrated for such a modelling exercise, a sensitivity analysis is proposed. In parallel to the modelling exercise, an extensive hydrological/geochemical database has been set up for two flood events. The most sensitive parameters were found to be the hydraulic friction coefficient and the sediment particle settling velocity in water. Using the two monitored hydrological events for calibration and validation, it was found that the model is able to satisfyingly predict suspended sediment and dissolved pollutant transport in the river channel. In addition, a qualitative comparison between simulated sediment

  16. Quantum Monte Carlo Assessment of the Relevance of Electronic Correlations in Defects and EOS in Metals

    Energy Technology Data Exchange (ETDEWEB)

    Hood, R Q; Williamson, A J; Dubois, J L; Reboredo, F A

    2008-02-07

    We have developed a highly accurate computational capability to calculate the equation of state (EOS) and defect formation energies of metallic systems. We are using a newly developed algorithm that enables the study of metallic systems with quantum Monte Carlo (QMC) methods. To date, technical limitations have restricted the application of QMC methods to semiconductors, insulators and the homogeneous electron gas. Using this new 'QMC for metals' we can determine, for the first time, the significance of correlation effects in the EOS and in the formation energies of point defects, impurities, surfaces and interfaces in metallic systems. These calculations go beyond the state-of-the-art accuracy which is currently obtained with Density Functional Theory approaches. Such benchmark calculations can provide more accurate predictions for the EOS and the formation energies of vacancies and interstitials in simple metals. These are important parameters in determining the mechanical properties as well as the micro-structural evolution of metals in irradiated materials or under extreme conditions. We describe the development of our 'QMC for metals' code, which has been adapted to run efficiently on a variety of computer architectures including BG/L. We present results of the first accurate quantum Monte Carlo calculation of an EOS of a realistic metallic system that goes beyond the homogeneous electron gas.

  17. Value of a newly sequenced bacterial genome

    Institute of Scientific and Technical Information of China (English)

    Eudes; GV; Barbosa; Flavia; F; Aburjaile; Rommel; TJ; Ramos; Adriana; R; Carneiro; Yves; Le; Loir; Jan; Baumbach; Anderson; Miyoshi; Artur; Silva; Vasco; Azevedo

    2014-01-01

    Next-generation sequencing(NGS) technologies have made high-throughput sequencing available to medium- and small-size laboratories, culminating in a tidal wave of genomic information. The quantity of sequenced bacterial genomes has not only brought excitement to the field of genomics but also heightened expectations that NGS would boost antibacterial discovery and vaccine development. Although many possible drug and vaccine targets have been discovered, the success rate of genome-based analysis has remained below expectations. Furthermore, NGS has had consequences for genome quality, resulting in an exponential increase in draft(partial data) genome deposits in public databases. If no further interests are expressed for a particular bacterial genome, it is more likely that the sequencing of its genome will be limited to a draft stage, and the painstaking tasks of completing the sequencing of its genome and annotation will not be undertaken. It is important to know what is lost when we settle for a draft genome and to determine the "scientific value" of a newly sequenced genome. This review addresses the expected impact of newly sequenced genomes on antibacterial discovery and vaccinology. Also, it discusses the factors that could be leading to the increase in the number of draft deposits and the consequent loss of relevant biological information.

  18. Teaching intubation skills using newly deceased infants.

    Science.gov (United States)

    Benfield, D G; Flaksman, R J; Lin, T H; Kantak, A D; Kokomoor, F W; Vollman, J H

    1991-05-08

    This prospective study was designed to (1) test the hypothesis that the majority of families of newly dead infants in a tertiary neonatal intensive care unit would consent to their infants' being intubated for teaching purposes, (2) determine factors related to family consent, and (3) determine the effects of participation on resident physicians and respiratory therapists. Family consent for intubation was requested following 44 (80%) of the 55 deaths that occurred during the 10-month study period. Of these requests, 32 (73%) were granted. Proportionately more white than black families consented and consent was positively related to autopsy permission. Fifty-three (75%) of 71 trainees completed a mailed questionnaire after their first intubation experience. Although each respondent found the experience helpful, many reported mixed feelings categorized as doubt about participating, apprehension and discomfort, respect for the body, appreciation for the opportunity, a sense of achievement, and feelings of comfort knowing that consent had been obtained. These findings confirm our initial hypothesis and suggest that (1) newly dead infants can be a valuable resource for teaching intubation skills, and (2) others considering a similar approach need to be aware of and sensitive to trainees' feelings.

  19. Characterization and Structure Prediction of Partial Length Protein Sequences of pcoA, pcoR and chrB Genes from Heavy Metal Resistant Bacteria from the Klip River, South Africa

    Directory of Open Access Journals (Sweden)

    Patience Chihomvu

    2015-04-01

    Full Text Available The Klip River has suffered from severe anthropogenic effects from industrial activities such as mining. Long-term exposure to heavy metal pollution has led to the development of heavy metal resistant strains of Pseudomonas sp. KR23, Lysinibacillus sp. KR25, and E. coli KR29. The objectives of this study were to characterize the genetics of copper and chromate resistance of the isolates. Copper and chromate resistance determinants were cloned and sequenced. Open reading frames (ORFs related to the genes CopA and CopR were identified in E. coli KR29, PcoA in Lysinibacillus sp. KR25 and none related to chromate resistance were detected. The 3D-models predicted by I-TASSER disclose that the PcoA proteins consist of β-sheets, which form a part of the cupredoxin domain of the CopA copper resistance family of genes. The model for PcoR_29 revealed the presence of a helix turn helix; this forms part of a DNA binding protein, which is part of a heavy metal transcriptional regulator. The bacterial strains were cured using ethidium bromide. The genes encoding for heavy metal resistance and antibiotic resistance were found to be located on the chromosome for both Pseudomonas sp. (KR23 and E. coli (KR29. For Lysinibacillus (KR25 the heavy metal resistance determinants are suspected to be located on a mobile genetic element, which was not detected using gel electrophoresis.

  20. Michael Maier--nine newly discovered letters.

    Science.gov (United States)

    Lenke, Nils; Roudet, Nicolas; Tilton, Hereward

    2014-02-01

    The authors provide a transcription, translation, and evaluation of nine newly discovered letters from the alchemist Michael Maier (1568-1622) to Gebhardt Johann von Alvensleben (1576-1631), a noble landholder in the vicinity of Magdeburg. Stemming from the final year of his life, this correspondence casts new light on Maier's biography, detailing his efforts to secure patronage amid the financial crisis of the early Thirty Years' War. While his ill-fated quest to perfect potable gold continued to form the central focus of his patronage suits, Maier also offered his services in several arts that he had condemned in his printed works, namely astrology and "supernatural" magic. Remarks concerning his previously unknown acquaintance with Heinrich Khunrath call for a re-evaluation of Maier's negotiation of the discursive boundaries between Lutheran orthodoxy and Paracelsianism. The letters also reveal Maier's substantial contribution to a work previously ascribed solely to the English alchemist Francis Anthony.

  1. Fiberoptic metal detector capable of profile detection

    Science.gov (United States)

    Hua, Wei-Shu; Hooks, Joshua R.; Erwin, Nicholas A.; Wu, Wen-Jong; Wang, Wei-Chih

    2011-04-01

    The purpose of this paper is to develop a novel ferromagnetic polymeric metal detector system by using a fiber-optic Mach-Zehnder interferometer with a newly developed ferromagnetic polymer as the magnetostrictive sensing device. This ferromagnetic polymeric metal detector system is simple to fabricate, small in size, and resistant to RF interference (which is common in typical electromagnetic type metal detectors). Metal detection is made possible by disrupting the magnetic flux density present on the magnetostrictive sensor. This paper discusses the magnetic properties of the ferromagnetic polymers. In addition, the preliminary results of successful sensing of different geometrical metal shapes will be discussed.

  2. Fiberoptic metal detector capable of profile detection.

    Science.gov (United States)

    Hua, Wei-Shu; Hooks, Joshua R; Erwin, Nicholas A; Wu, Wen-Jong; Wang, Wei-Chih

    2011-03-31

    The purpose of this paper is to develop a novel ferromagnetic polymeric metal detector system by using a fiber-optic Mach-Zehnder interferometer with a newly developed ferromagnetic polymer as the magnetostrictive sensing device. This ferromagnetic polymeric metal detector system is simple to fabricate, small in size, and resistant to RF interference (which is common in typical electromagnetic type metal detectors). Metal detection is made possible by disrupting the magnetic flux density present on the magnetostrictive sensor. This paper discusses the magnetic properties of the ferromagnetic polymers. In addition, the preliminary results of successful sensing of different geometrical metal shapes will be discussed.

  3. Predictions of Optical Excitations in Transition-Metal Complexes with Time Dependent-Density Functional Theory:  Influence of Basis Sets.

    Science.gov (United States)

    Petit, Laurence; Maldivi, Pascale; Adamo, Carlo

    2005-09-01

    The calculation of the absorption spectra of four families of transition-metal complexes (Ni(CO)4, MnO4(-), MF6 (M = Cr, Mo, W) and CpM(CO)2 (M = Rh, Ir)) has been undertaken to unravel the influence of basis sets onto excitation energies, oscillator strengths, and assignments. Three among the most common pseudopotentials, with the corresponding valence basis sets, and two all-electron basis sets have been used for the metal center description in the framework of the time dependent Density Functional Theory (TD-DFT). Our results show that this approach does not particularly depend on the basis set used on the metal atoms. Furthermore, the chosen functional PBE0 provides transitions in good agreement with experiments, and it provides an accuracy of about 0.3 eV, comparable to that of refined post-Hartree-Fock methods.

  4. Electrical Conductivity in Transition Metals

    Science.gov (United States)

    Talbot, Christopher; Vickneson, Kishanda

    2013-01-01

    The aim of this "Science Note" is to describe how to test the electron-sea model to determine whether it accurately predicts relative electrical conductivity for first-row transition metals. In the electron-sea model, a metal crystal is viewed as a three-dimensional array of metal cations immersed in a sea of delocalised valence…

  5. A better ferrimagnetic half-metal LuCu{sub 3}Mn{sub 4}O{sub 12}: Predicted from first-principles investigation

    Energy Technology Data Exchange (ETDEWEB)

    Lv Shuhui; Li Hongping [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Graduate School, Chinese Academy of Sciences, Beijing 100049 (China); Han Deming; Wu Zhijian [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Liu Xiaojuan, E-mail: lxjuan@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian, E-mail: jmeng@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2011-03-15

    Electronic structure calculations based on density functional theory (DFT) within the generalized gradient approximation (GGA) and GGA+U for manganite cuprate compound LuCu{sub 3}Mn{sub 4}O{sub 12} have been performed, using the full-potential linearized augmented plane wave method. The calculated results indicate that LuCu{sub 3}Mn{sub 4}O{sub 12} is ferrimagnetic and half-metallic in both GGA and GGA+U calculations. The minority-spin band gap is 0.7 eV within GGA, which is larger than that of LaCu{sub 3}Mn{sub 4}O{sub 12} (0.3 eV), indicating its better half-metallicity. Further, the minority-spin gap enlarges from 0.7 to 2.8 eV with U taken into account, and simultaneously the Fermi level being shifted to the middle of the gap, making the half-metallic energy gap to be 1.21 eV. These results demonstrate that electronic correlation effect enhances the stability of half-metallic property. These facts make this system interesting candidates for applications in spintronic devices. - Research highlights: The electronic and magnetic properties of LuCu{sub 3}Mn{sub 4}O{sub 12} are analyzed. Both GGA and GGA+U methods are reported and compared. A better half-metal LuCu{sub 3}Mn{sub 4}O{sub 12} is obtained with large half-metallic gap. The results agree very well with the experimental data.

  6. Fluoride release from newly marketed fluoride varnishes.

    Science.gov (United States)

    Jablonowski, Beth L; Bartoloni, Joseph A; Hensley, Donna M; Vandewalle, Kraig S

    2012-03-01

    New fluoride varnishes have been marketed that reportedly release more fluoride (Enamel Pro) or release fluoride more slowly (Vanish XT). The purpose of this study was to compare the amount and rate of fluoride release of new fluoride varnishes with other traditional fluoride varnishes. Extracted molars were cut into block sections. The enamel surfaces of the sections were painted with Enamel Pro, Duraphat, Vanish, or Vanish XT fluoride varnishes. One group was not treated and served as a negative control. The tooth sections were immersed in artificial saliva. The concentration of fluoride in parts per million was measured after the first 30 minutes, daily for the first week, and weekly until the level was below the limit of detection. Fluoride release was plotted over time. Cumulative fluoride release and rate of release (slope) were analyzed using one-way ANOVA/Tukey (α = .05). Enamel Pro had the greatest cumulative fluoride release. There was no significant difference between Duraphat and Vanish. Vanish XT had the lowest cumulative fluoride release. The rate of fluoride release from 1 week to limit of detection was Enamel Pro > Vanish > Duraphat > Vanish XT. The two newly marketed fluoride varnishes (Enamel Pro and Vanish XT) had significantly different fluoride release from the two conventional fluoride varnishes (Duraphat and Vanish).

  7. Metallated metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Bury, Wojciech; Farha, Omar K.; Hupp, Joseph T.; Mondloch, Joseph E.

    2017-08-22

    Porous metal-organic frameworks (MOFs) and metallated porous MOFs are provided. Also provided are methods of metallating porous MOFs using atomic layer deposition and methods of using the metallated MOFs as catalysts and in remediation applications.

  8. Metallated metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Bury, Wojciech; Farha, Omar K.; Hupp, Joseph T.; Mondloch, Joseph E.

    2017-02-07

    Porous metal-organic frameworks (MOFs) and metallated porous MOFs are provided. Also provided are methods of metallating porous MOFs using atomic layer deposition and methods of using the metallated MOFs as catalysts and in remediation applications.

  9. End-of-life experiential learning for newly licensed nurses.

    Science.gov (United States)

    Warnke, Joellen; Thirlwell, Sarah

    2014-03-01

    Many newly licensed nurses begin their careers with limited knowledge and experience in end-of-life care. Findings from a literature review and a learning needs assessment of newly licensed nurses at a comprehensive cancer center guided the development of an 8-hour educational program on end-of-life care. An experiential learning approach was used to foster confidence and develop knowledge and skills in delivery of end-of-life care by newly licensed nurses. Copyright 2014, SLACK Incorporated.

  10. Construction of prediction model of heavy metal pollution risk in river sediment%河流底泥沉积态重金属污染风险预测模型的建立

    Institute of Scientific and Technical Information of China (English)

    刘鑫垚; 冼萍; 李小明; 莫创荣; 徐英博; 唐铭; 邓国龙

    2014-01-01

    鉴于水体突发性重金属污染事故发生时底泥存在重金属污染风险不明的问题,以河流底泥中重金属浓度为研究对象,建立底泥重金属一维稳态迁移转化模型,并以广西龙江河镉污染事故底泥重金属污染风险为例进行模拟预测。结果表明:随着底泥向下游迁移,龙江河底泥镉浓度逐渐升高,距离污染源14 km处的拉浪水电站底泥镉浓度升高了55%,说明一维稳态模拟条件下龙江河镉污染事故造成的底泥重金属污染存在较重的风险。%When the sudden heavy metal water pollution accident happened, the risk of heavy metal pollution in sediment is unclear. Research on the concentration of heavy metal in sediment of river was carried out. One-dimensional steady-state migration and transformation model of heavy metal in sediment was built and Guangxi Longjiang River cadmium pollution accident was used as an example to predict the risk. Results showed that concentration of cadmium in sediment of Longjiang river in-creased gradually with sediment migrated to downstream. Concentration of cadmium in sediment of Lalang hydropower station increased by 55%, where is 14 km far from pollution source. It indicated that sediment heavy metal pollution caused by Long River cadmium pollution incident exists high risk under one-dimensional steady-state simulated condition.

  11. Hot metal temperature prediction by neural networks in the blast furnace; Prediccion mediante redes neuronales de la temperatura de arrabio de un horno alto. Temperatura subyacente de arrabio

    Energy Technology Data Exchange (ETDEWEB)

    Cantera, C.; Jimenez, J.; Varela, I.; Formoso, A.

    2002-07-01

    Based on a simplified model, the underlying temperature criteria is proposed as a method to study the temperature trends in a blast furnace. As an application, a neural network able to forecast hot metal temperatures from 2 to 16 h in advance (with decreasing precision) has been built. This neural network has been designed to work at real time in a production plant. (Author)

  12. Predicting toxicity of nanoparticles

    OpenAIRE

    BURELLO ENRICO; Worth, Andrew

    2011-01-01

    A statistical model based on a quantitative structure–activity relationship accurately predicts the cytotoxicity of various metal oxide nanoparticles, thus offering a way to rapidly screen nanomaterials and prioritize testing.

  13. Newly Identified Rydberg Emission Lines in Novae

    Science.gov (United States)

    Lynch, David K.; Rudy, R. J.; Bernstein, L. S.

    2008-09-01

    Newly Identified Rydberg Emission Lines in Novae David K. Lynch, Richard. J. Rudy (The Aerospace Corporation) & Lawrence S. Bernstein (Spectral Sciences, Inc.) Novae spectra in the near infrared frequently show a set of six emission lines that have not been positively identified (Williams, Longmore, & Geballe 1996, MNRAS, 279, 804; Lynch et al. 2001, AJ, 122, 2013; Rudy et al. 2002 ApJ, 573, 794; Lynch et al. 2004 Astron. J. 127, 1089-1097). These lines are at 0.8926, 1.1114, 1.1901, 1.5545, 2.0996 and 2.425 µm ± 0.005 µm. Krautter et al. (1984 A&A 137, 304) suggested that three of the lines were due to rydberg (hydrogenic) transitions in an unspecified atomic species that was in the 4th or 5th ionization stage (core charge = 4 & 5). We believe that Krautter et al.'s explanation is correct based on 4 additional lines that we have identified in the visible and near infrared spectrum of V723 Cassiopeiae. The observed Rydberg lines appear to originate from high angular momentum states with negligible quantum defects. The species cannot be determined with any certainty because in rydberg states, the outer electron sees a nucleus shielded by the inner electrons and together the inner atom appears to have a charge of +1, like hydrogen. As a result, the atom looks hydrogenic and species such as CV, NV, OV, MgV, SiV, etc. have their rydberg transitions at very similar wavelengths. All the lines represent permitted transitions, most likely formed by recombination. Atoms with core charges 4, 5 & 6 are rarely seen in the astrophysical environment because an extremely hot radiation field is necessary to ionize them. Thermonuclear runaways on the surface of a white dwarf can reach millions of degrees K, and thus there are enough X-ray photons available to achieve the necessary high ionization levels.

  14. Effects of carbonyl bond, metal cluster dissociation, and evaporation rates on predictions of nanotube production in high-pressure carbon monoxide

    Science.gov (United States)

    Scott, Carl D.; Smalley, Richard E.

    2003-01-01

    The high-pressure carbon monoxide (HiPco) process for producing single-wall carbon nanotubes (SWNTs) uses iron pentacarbonyl as the source of iron for catalyzing the Boudouard reaction. Attempts using nickel tetracarbonyl led to no production of SWNTs. This paper discusses simulations at a constant condition of 1300 K and 30 atm in which the chemical rate equations are solved for different reaction schemes. A lumped cluster model is developed to limit the number of species in the models, yet it includes fairly large clusters. Reaction rate coefficients in these schemes are based on bond energies of iron and nickel species and on estimates of chemical rates for formation of SWNTs. SWNT growth is measured by the conformation of CO2. It is shown that the production of CO2 is significantly greater for FeCO because of its lower bond energy as compared with that of NiCO. It is also shown that the dissociation and evaporation rates of atoms from small metal clusters have a significant effect on CO2 production. A high rate of evaporation leads to a smaller number of metal clusters available to catalyze the Boudouard reaction. This suggests that if CO reacts with metal clusters and removes atoms from them by forming MeCO, this has the effect of enhancing the evaporation rate and reducing SWNT production. The study also investigates some other reactions in the model that have a less dramatic influence.

  15. Effects of workplace incivility and empowerment on newly-graduated nurses' organizational commitment.

    Science.gov (United States)

    Smith, Lesley Marie; Andrusyszyn, Mary Anne; Spence Laschinger, Heather K

    2010-11-01

    The purpose of the present study was to test an expanded model of Kanter's theory by examining the influence of structural empowerment, psychological empowerment and workplace incivility on the organizational commitment of newly-graduated nurses. The first years of practise represent an important confidence-building phase for newly-graduated nurses, yet many new nurses are exposed to disempowering experiences and incivility in the workplace. A predictive non-experimental design was used to examine the impact of structural empowerment, psychological empowerment and workplace incivility on the affective commitment of newly-graduated nurses (n=117) working in acute care hospitals. Controlling for age, 23.1% of the variance in affective commitment was explained by structural empowerment, psychological empowerment and workplace incivility [R²=0.231, F(5,107) =6.43, P=0.000]. Access to opportunity was the most empowering factor, with access to support and formal power perceived as least empowering. Perceived co-worker incivility was greater than perceived supervisor incivility. Results offer significant support for the use of Kanter's theory in the newly-graduated nurse population. Without specific strategies in place to combat incivility and disempowerment in the workplace, attempts to prevent further organizational attrition of new members may be futile. © 2010 The Authors. Journal compilation © 2010 Blackwell Publishing Ltd.

  16. Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes

    Directory of Open Access Journals (Sweden)

    Ante Miličević

    2011-01-01

    Full Text Available Logarithms of stability constants, log K1 and log β2, of the first transition series metal mono- and bis-complexes with any of four aliphatic amino acids (glycine, alanine, valine and leucine decrease monotonously with third order valence connectivity index, 3χv, from Cu2+ to Mn2+. While stability of the complexes with the same metal is linearly dependent on 3χv, stability constants of Mn2+, Fe2+, Co2+, and Ni2+complexes with the same ligand show a quadratic dependence on 3χv. As Cu2+ complexes deviate significantly from quadratic functions, models for the simultaneous estimation of the stability constants, yielding r = 0.999 (S.E. = 0.05 and r = 0.998 (S.E. = 0.11, for log K1 and log β2, respectively, were developed only for Mn2+, Fe2+, Co2+, and Ni2+ complexes with amino acids.

  17. A Modified Johnson-Cook Model for Sheet Metal Forming at Elevated Temperatures and Its Application for Cooled Stress-Strain Curve and Spring-Back Prediction

    Science.gov (United States)

    Duc-Toan, Nguyen; Tien-Long, Banh; Young-Suk, Kim; Dong-Won, Jung

    2011-08-01

    In this study, a modified Johnson-Cook (J-C) model and an innovated method to determine (J-C) material parameters are proposed to predict more correctly stress-strain curve for tensile tests in elevated temperatures. A MATLAB tool is used to determine material parameters by fitting a curve to follow Ludwick's hardening law at various elevated temperatures. Those hardening law parameters are then utilized to determine modified (J-C) model material parameters. The modified (J-C) model shows the better prediction compared to the conventional one. As the first verification, an FEM tensile test simulation based on the isotropic hardening model for boron sheet steel at elevated temperatures was carried out via a user-material subroutine, using an explicit finite element code, and compared with the measurements. The temperature decrease of all elements due to the air cooling process was then calculated when considering the modified (J-C) model and coded to VUMAT subroutine for tensile test simulation of cooling process. The modified (J-C) model showed the good agreement between the simulation results and the corresponding experiments. The second investigation was applied for V-bending spring-back prediction of magnesium alloy sheets at elevated temperatures. Here, the combination of proposed J-C model with modified hardening law considering the unusual plastic behaviour for magnesium alloy sheet was adopted for FEM simulation of V-bending spring-back prediction and shown the good comparability with corresponding experiments.

  18. Deformation in nanocrystalline metals

    Directory of Open Access Journals (Sweden)

    Helena Van Swygenhoven

    2006-05-01

    Full Text Available It is now possible to synthesize polycrystalline metals made up of grains that average less than 100 nm in size. Such nanocrystalline metals contain a significant volume fraction of interfacial regions separated by nearly perfect crystals. The small sizes involved limit the conventional operation of dislocation sources and thus a fundamental question arises: how do these materials deform plastically? We review the current views on deformation mechanisms in nanocrystalline, face-centered cubic metals based on insights gained by atomistic computer simulations. These insights are discussed with reference to recent striking experimental observations that can be compared with predictions made by the simulations.

  19. The flotation tailings of the former Pb-Zn mine of Touiref (NW Tunisia): mineralogy, mine drainage prediction, base-metal speciation assessment and geochemical modeling.

    Science.gov (United States)

    Othmani, Mohamed Ali; Souissi, Fouad; Bouzahzah, Hassan; Bussière, Bruno; da Silva, Eduardo Ferreira; Benzaazoua, Mostafa

    2015-02-01

    The underground extraction of Pb-Zn mineralization in the Touiref area stopped in 1958. A large volume of flotation tailings (more than 500 Mt) containing sulfides were deposited in a tailings impoundment. The goals of this study are to evaluate the neutralization capacity of the unoxidized and oxidized tailings, to assess the speciation of metals between the different components of the tailings material, and to assess the mobility of metals and the secondary minerals' precipitation in pore waters using geochemical modeling. To accomplish these objectives, representative samples from both fresh and oxidized zones were collected along a vertical profile through the tailings pile. Physical, chemical (ICP-MS), and mineralogical characterization (X-ray diffraction (XRD), reflected light microscopy, scanning electron microscope (SEM)) of these samples was performed. Grain size analysis shows that the tailings are dominated by silt- to sand-sized fractions. The microscopic observation highlights the presence of pyrite, marcasite, galena, and sphalerite as primary minerals in a carbonated matrix. The study reveals also the presence of secondary minerals represented by cerussite, smithsonite, anglesite, and Fe oxi-hydroxides as important scavengers for trace elements. The static tests show that the presence of calcite in the tailing samples ensures acid-neutralizing capacity (ANC), which is significantly greater than the acidity potential (PA). The geochemical characterization of the unoxidized samples shows higher Cd, Pb, and Zn concentrations than the oxidized samples containing the highest values for Fe and SO4. Sequential extraction tests show that significant percentages of metals are distributed between the acid-soluble fractions (Cd, Pb, and Zn) and the reducible one (Zn). Pore water analysis indicates that Ca is the dominant cation (8,170 and 6,200 mg L(-1), respectively), whereas sulfate is the principal anion (6,900 and 5,100 mg L(-1), respectively). Saturation

  20. Tipifarnib in the treatment of newly diagnosed acute myelogenous leukemia

    Directory of Open Access Journals (Sweden)

    Judith E Karp

    2008-09-01

    Full Text Available Judith E Karp1, Jeffrey E Lancet21Division of Hematologic Malignancies, Johns Hopkins Sidney Kimmel Comprehensive Cancer Center, Baltimore, Maryland, USA; 2H. Lee Moffitt Comprehensive Cancer Center, Tampa, Florida, USAAbstract: Farnesyltransferase inhibitors (FTIs represent a new class of signal transduction inhibitors that block the processing of cellular polypeptides that have cysteine terminal residues and, by so doing, interdict multiple pathways involved in proliferation and survival of diverse malignant cell types. Tipifarnib is an orally bioavailable, nonpeptidomimetic methylquinolone FTI that has exhibited clinical activity in patients with myeloid malignancies including elderly adults with acute myelogenous leukemia (AML who are not candidates for traditional cytotoxic chemotherapy, patients with high-risk myelodysplasia, myeloproliferative disorders, and imatinib-resistant chronic myelogenous leukemia. Because of its relatively low toxicity profile, tipifarnib provides an important alternative to traditional cytotoxic approaches for elderly patients who are not likely to tolerate or even benefit from aggressive chemotherapy. In this review, we will focus on the clinical development of tipifarnib for treatment of newly diagnosed AML, both as induction therapy for elderly adults with poor-risk AML and as maintenance therapy following achievement of first complete remission following induction and consolidation therapies for poor-risk AML. As with all other malignancies, the optimal approach is likely to lie in rational combinations of tipifarnib with cytotoxic, biologic and/or immunomodulatory agents with non-cross-resistant mechanisms of action. Gene expression profi ling has identified networks of differentially expressed genes and gene combinations capable of predicting response to single agent tipifarnib. The clinical and correlative laboratory trials in progress and under development will provide the critical foundations for

  1. Near-Quantitative Agreement of Model-Free DFT-MD Predictions with XAFS Observations of the Hydration Structure of Highly Charged Transition-Metal Ions.

    Science.gov (United States)

    Fulton, John L; Bylaska, Eric J; Bogatko, Stuart; Balasubramanian, Mahalingam; Cauët, Emilie; Schenter, Gregory K; Weare, John H

    2012-09-20

    First-principles dynamics simulations (DFT, PBE96, and PBE0) and electron scattering calculations (FEFF9) provide near-quantitative agreement with new and existing XAFS measurements for a series of transition-metal ions interacting with their hydration shells via complex mechanisms (high spin, covalency, charge transfer, etc.). This analysis does not require either the development of empirical interparticle interaction potentials or structural models of hydration. However, it provides consistent parameter-free analysis and improved agreement with the higher-R scattering region (first- and second-shell structure, symmetry, dynamic disorder, and multiple scattering) for this comprehensive series of ions. DFT+GGA MD methods provide a high level of agreement. However, improvements are observed when exact exchange is included. Higher accuracy in the pseudopotential description of the atomic potential, including core polarization and reducing core radii, was necessary for very detailed agreement. The first-principles nature of this approach supports its application to more complex systems.

  2. A model for community physiotherapy from the perspective of newly ...

    African Journals Online (AJOL)

    A model for community physiotherapy from the perspective of newly graduated physiotherapists as a guide to curriculum revision. ... To develop a model of community service physiotherapy to guide curriculum reform. Methods ... Article Metrics.

  3. Concomitant HIV infection in newly diagnosed multiple myeloma ...

    African Journals Online (AJOL)

    HIV-positive MM patients with unusual clinical presentations and aggressive ... fatigue, weight loss, bone marrow plasmacytosis, renal insufficiency ... cell transplantation. ... HIV was newly diagnosed during the work-up of MM in eight cases.

  4. Dirac metal to topological metal transition at a structural phase change in Au2Pb and prediction of Z2 topology for the superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Schoop, Leslie M.; Xie, Lilia S.; Chen, Ru; Gibson, Quinn D.; Lapidus, Saul H.; Kimchi, Itamar; Hirschberger, Max; Haldolaarachchige, Neel; Ali, Mazhar N.; Belvin, Carina A.; Liang, Tian; Neaton, Jeffrey B.; Ong, N P; Vishwanath, Ashvin; Cava, R. J.

    2015-06-23

    Three-dimensionalDirac semimetals (DSMs) arematerials that have masslessDirac electrons and exhibit exotic physical properties. It has been suggested that structurally distorting a DSM can create a topological insulator but this has not yet been experimentally verified. Furthermore, Majorana fermions have been theoretically proposed to exist inmaterials that exhibit both superconductivity and topological surface states. Herewe showthat the cubic Laves phase Au2Pb has a bulk Dirac cone that is predicted to gap on cooling through a structural phase transition at 100 K. The low temperature phase can be assigned a Z(2) = -1 topological index, and this phase becomes superconducting below 1.2 K. These characteristics make Au2Pb a unique platform for studying the transition between bulk Dirac electrons and topological surface states as well as studying the interaction of superconductivity with topological surface states, combining many different properties of emergent materials-superconductivity, bulk Dirac electrons, and a topologically nontrivial Z(2) invariant.

  5. Electrodialytic decontamination of heavy metal polluted soil

    DEFF Research Database (Denmark)

    Ottosen, Lisbeth M.; Hansen, Henrik K.; Karlsmose, Bodil

    1996-01-01

    Electrodialytic remediation of heavy metal polluted soil is a newly developed method, which combines the electrokinetic mevement of ions in soil with the principle of electrodialytis. The method has been proven to work in laboratory scale and at present two types of pilot plant tests are made....

  6. A 2-D hydro-morphodynamic modelling approach for predicting suspended sediment propagation and related heavy metal contamination in floodplain: a sensitivity analysis

    Science.gov (United States)

    Hostache, R.; Hissler, C.; Matgen, P.; Guignard, C.; Bates, P.

    2014-02-01

    Fine sediments represent an important vector of pollutant diffusion in rivers. When deposited in floodplains and riverbeds they can be responsible for soil pollution. In this context, this paper proposes a hydro-morphodynamic modelling exercise aiming at predicting transport and diffusion of fine sediments and dissolved pollutants. The model is based upon the Telemac hydro-informatic system (dynamical coupling Telemac-2D-Sysiphe). As empirical and semi-empirical parameters need to be calibrated for such a modelling exercise, a sensitivity analysis is proposed. In parallel to the modelling exercise, an extensive hydrological/geochemical database has been set up during two flood events. The main sensitive parameters were found to be the hydraulic friction coefficient and the sediment particle settling velocity in water. Using the two monitored hydrological events as calibration and validation, it was found that the model is able to satisfyingly predict suspended sediment and dissolve pollutant transport in the river channel. In addition, a qualitative comparison between simulated sediment deposition in the floodplain and a soil contamination map shows that the preferential zones for deposition identified by the model are realistic.

  7. Motivational pathways of occupational and organizational turnover intention among newly registered nurses in Canada.

    Science.gov (United States)

    Fernet, Claude; Trépanier, Sarah-Geneviève; Demers, Mireille; Austin, Stéphanie

    Staff turnover is a major issue for health care systems. In a time of labor shortage, it is critical to understand the motivational factors that underlie turnover intention in newly licensed nurses. To examine whether different forms of motivation (the reasons for which nurses engage in their work) predict intention to quit the occupation and organization through distinct forms (affective and continuance) and targets (occupation and organization) of commitment. Cross-sectional data were collected from a sample of 572 French-Canadian newly registered nurses working in public health care in the province of Quebec, Canada. The hypothesized model was tested by structural equation modeling. Autonomous motivation (nurses accomplish their work primarily out of a sense of pleasure and satisfaction or because they personally endorse the importance or value of their work) negatively predicts intention to quit the profession and organization through target-specific affective commitment. However, although controlled motivation (nurses accomplish their work mainly because of internal or external pressure) is positively associated with continuance commitment to the occupation and organization, it directly predicts, positively so, intention to quit the occupation and organization. These results highlight the complexity of the motivational processes at play in the turnover intention of novice nurses, revealing distinct forms of commitment that explain how motivation quality is related simultaneously to intention to quit the occupation and organization. Health care organizations are advised to promote autonomous over controlled motivation to retain newly recruited nurses and sustain the future of the nursing workforce. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

  8. Analytical model for cratering of semi-infinite metallic targets by long rod penetrators

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Analytical model is presented herein to predict the diameter of crater in semi-infinite metallic targets struck by a long rod penetrator. Based on the observation that two mechanisms such as mushrooming and cavitation are involved in cavity expansion by a long rod penetrator, the model is constructed by using the laws of conservation of mass, momentum, energy, together with the u-v relationship of the newly suggested 1D theory of long rod penetration (see Lan and Wen, Sci China Tech Sci, 2010, 53(5): 1364–1373). It is demonstrated that the model predictions are in good agreement with available experimental data and numerical simulations obtained for the combinations of penetrator and target made of different materials.

  9. NEWLY IDENTIFIED EXTENDED GREEN OBJECTS (EGOs) FROM THE SPITZER GLIMPSE II SURVEY. II. MOLECULAR CLOUD ENVIRONMENTS

    Energy Technology Data Exchange (ETDEWEB)

    Chen Xi; Gan Conggui; Shen Zhiqiang [Key Laboratory for Research in Galaxies and Cosmology, Shanghai Astronomical Observatory, Chinese Academy of Sciences, Shanghai 200030 (China); Ellingsen, Simon P.; Titmarsh, Anita [School of Mathematics and Physics, University of Tasmania, Hobart, Tasmania (Australia); He Jinhua, E-mail: chenxi@shao.ac.cn [Key Laboratory for the Structure and Evolution of Celestial Objects, Yunnan Astronomical Observatory/National Astronomical Observatory, Chinese Academy of Sciences, P.O. Box 110, Kunming 650011, Yunnan Province (China)

    2013-06-01

    We have undertaken a survey of molecular lines in the 3 mm band toward 57 young stellar objects using the Australia Telescope National Facility Mopra 22 m radio telescope. The target sources were young stellar objects with active outflows (extended green objects (EGOs)) newly identified from the GLIMPSE II survey. We observe a high detection rate (50%) of broad line wing emission in the HNC and CS thermal lines, which combined with the high detection rate of class I methanol masers toward these sources (reported in Paper I) further demonstrates that the GLIMPSE II EGOs are associated with outflows. The physical and kinematic characteristics derived from the 3 mm molecular lines for these newly identified EGOs are consistent with these sources being massive young stellar objects with ongoing outflow activity and rapid accretion. These findings support our previous investigations of the mid-infrared properties of these sources and their association with other star formation tracers (e.g., infrared dark clouds, methanol masers and millimeter dust sources) presented in Paper I. The high detection rate (64%) of the hot core tracer CH{sub 3}CN reveals that the majority of these new EGOs have evolved to the hot molecular core stage. Comparison of the observed molecular column densities with predictions from hot core chemistry models reveals that the newly identified EGOs from the GLIMPSE II survey are members of the youngest hot core population, with an evolutionary time scale of the order of 10{sup 3} yr.

  10. Are Vicinal Metal Surfaces Stable?

    DEFF Research Database (Denmark)

    Frenken, J. W. M.; Stoltze, Per

    1999-01-01

    We use effective medium theory to demonstrate that the energies of many metal surfaces are lowered when these surfaces are replaced by facets with lower-index orientations. This implies that the low-temperature equilibrium shapes of many metal crystals should be heavily faceted. The predicted ins...

  11. High performance liquid chromatography of substituted aromatics with the metal-organic framework MIL-100(Fe): Mechanism analysis and model-based prediction.

    Science.gov (United States)

    Qin, Weiwei; Silvestre, Martin Eduardo; Li, Yongli; Franzreb, Matthias

    2016-02-05

    Metal-organic framework (MOF) MIL-100(Fe) with well-defined thickness was homogenously coated onto the outer surface of magnetic microparticles via a liquid-phase epitaxy method. The as-synthesized MIL-100(Fe) was used as stationary phase for high-performance liquid chromatography (HPLC) and separations of two groups of mixed aromatic hydrocarbons (toluene, styrene and p-xylene; acetanilide, 2-nirtoaniline and 1-naphthylamine) using methanol/water as mobile phase were performed to evaluate its performance. Increasing water content of the mobile phase composition can greatly improve the separations on the expense of a longer elution time. Stepwise elution significantly shortens the elution time of acetanilide, 2-nirtoaniline and 1-naphthylamine mixtures, while still achieving a baseline separation. Combining the experimental results and in-depth modeling using a recently developed chromatographic software (ChromX), adsorption equilibrium parameters, including the affinities and maximum capacities, for each analyte toward the MIL-100(Fe) are obtained. In addition, the pore diffusivity of aromatic hydrocarbons within MIL-100(Fe) was determined to be 5×10(-12)m(2)s(-1). While the affinities of MIL-100(Fe) toward the analyte molecules differs much, the maximum capacities of the analytes are in a narrow range with q*MOFmax,toluene=3.55molL(-1), q*MOFmax,styrene or p-xylene=3.53molL(-1), and q*MOFmax,anilines=3.12molL(-1) corresponding to approximately 842 toluene and 838 styrene or p-xylene, and 740 aniline molecules per MIL-100(Fe) unit cell, respectively.

  12. 基于时空克里格的土壤重金属时空建模与预测%Spatio-temporal modeling and prediction of soil heavy metal based on spatio-temporal Kriging

    Institute of Scientific and Technical Information of China (English)

    杨勇; 梅杨; 张楚天; 张若兮; 廖祥森

    2014-01-01

    Soil plays a very important role in the food chain, and hence is a very important pathway through which humans come into contact with most pollutants. Therefore, there is considerable interest in the best way to monitor the quality of the soil to ensure that it is managed sustainably. However, when the need to monitor the status of soil heavy metals for one area continuously occurs, the sampling and analysis procedures are expensive and time-consuming. Therefore, space-time interpolation is necessary because we can use previous soil sampling points to predict present spatial distribution with fewer soil samples. In this paper, spatio-temporal kriging was utilized to model and predict the spatio-temporal distribution of soil heavy metals. The main objectives of this study were 1) to explore the methods of obtaining an experimental spatio-temporal semivariogram; 2) to fit models for experimental spatio-temporal semivariogram;3) to perform the algorithm of spatio-temporal kriging interpolation; 4) to evaluate the accuracy and uncertainty of spatio-temporal kriging under the conditions of different neighborhoods; and 5) to predict the spatio-temporal distribution of soil heavy metals of a study area using spatio-temporal kriging. The study area was east of Qingshan district, Wuhan city, Hubei province, China. To monitor the degree of soil contamination, we collected topsoil samples from the study area every year from 2011 to 2014. The number of soil samples from 2011, 2012, 2013, and 2014 were 45, 48, 55, and 48, respectively. The concentrations of cadmium (Cd), copper (Cu), lead (Pb), and zinc (Zn) were analyzed and used as experimental data. For Cd, Cu, and Zn, soil concentrations showed a constant increase from 2010 to 2014. However, the concentrations of Pb showed an increase from 2010 to 2013, followed by a small decrease in 2014. The results of K-S tests showed that Cd, Pb, and Cu did not follow a normal distribution, however, Zn followed a normal distribution

  13. An analysis of delegation styles among newly qualified nurses.

    Science.gov (United States)

    Magnusson, Carin; Allan, Helen; Horton, Khim; Johnson, Martin; Evans, Karen; Ball, Elaine

    2017-02-15

    Aim The aim of this research was to explore how newly qualified nurses learn to organise, delegate and supervise care in hospital wards when working with and supervising healthcare assistants. It was part of a wider UK research project to explore how newly qualified nurses recontextualise the knowledge they have gained during their pre-registration nurse education programmes for use in clinical practice. Method Ethnographic case studies were conducted in three hospital sites in England. Data collection methods included participant observations and semi-structured interviews with newly qualified nurses, healthcare assistants and ward managers. A thematic analysis was used to examine the data collected. Findings Five styles of how newly qualified nurses delegated care to healthcare assistants were identified: the do-it-all nurse, who completes most of the work themselves; the justifier, who over-explains the reasons for decisions and is sometimes defensive; the buddy, who wants to be everybody's friend and avoids assuming authority; the role model, who hopes that others will copy their best practice but has no way of ensuring how; and the inspector, who is acutely aware of their accountability and constantly checks the work of others. Conclusion Newly qualified nurses require educational and organisational support to develop safe and effective delegation skills, because suboptimal or no delegation can have negative effects on patient safety and care.

  14. NMIA:Strictly Control Newly Added Copper Production Capacity

    Institute of Scientific and Technical Information of China (English)

    2016-01-01

    Recently,Jia Mingxing,Vice President&Secretary-general and spokesperson of the China Nonferrous Metals Industry Association,expressed his views on the current copper industry and copper market.Jia Mingxing said,within a considerably long period of time,copper remains the biggest metal variety in the nonferrous metals industry.

  15. Improving Metal Casting Process

    Science.gov (United States)

    1998-01-01

    Don Sirois, an Auburn University research associate, and Bruce Strom, a mechanical engineering Co-Op Student, are evaluating the dimensional characteristics of an aluminum automobile engine casting. More accurate metal casting processes may reduce the weight of some cast metal products used in automobiles, such as engines. Research in low gravity has taken an important first step toward making metal products used in homes, automobiles, and aircraft less expensive, safer, and more durable. Auburn University and industry are partnering with NASA to develop one of the first accurate computer model predictions of molten metals and molding materials used in a manufacturing process called casting. Ford Motor Company's casting plant in Cleveland, Ohio is using NASA-sponsored computer modeling information to improve the casting process of automobile and light-truck engine blocks.

  16. The redshifted selected sample of long gamma-ray burst host galaxies: the complete metallicity measurements at $z \\leq 0.41$

    CERN Document Server

    Niino, Yuu; Hashimoto, Tetsuya; Hattori, Takashi; Ishikawa, Shoto; Kashikawa, Nobunari; Kosugi, George; Onoue, Masafusa; Toshikawa, Jun; Yabe, Kiyoto

    2016-01-01

    We present the complete list of host galaxy metallicities for all long GRBs whose redshifts were determined to be $\\leq 0.41$ before the end of March 2014, including newly obtained spectroscopic datasets of the host galaxies of GRB 060614, 090417B, and 130427A. We compare the metallicity distribution of the redshift selected complete sample to the model predictions, and constrain the relation between metallicity and GRB occurrence. We take account of spatial variation of metallicities among star forming regions within a galaxy. We found that the models, in which only low-metallicity stars produce GRBs with a sharp cutoff of GRB production efficiency around 12+log(O/H) $\\sim$ 8.2, can well reproduce the observed distribution, while the models with moderate (or no) metallicity dependence are not consitistent with the observations. This is the first fair estimate of the metallicity distribution of GRB host galaxies based on the redshift selected complete sample in the {\\it Swift} era. We also discuss possible sa...

  17. The Utilization of Gleason Grade as the Primary Criterion for Ordering Nuclear Bone Scan in Newly Diagnosed Prostate Cancer Patients

    Directory of Open Access Journals (Sweden)

    Chad W. M. Ritenour

    2009-01-01

    Full Text Available Utilization of nuclear bone scans for staging newly diagnosed prostate cancer has decreased dramatically due to PSA-driven stage migration. The current criteria for performing bone scans are based on limited historical data. This study evaluates serum PSA and Gleason grade in predicting positive scans in a contemporary large series of newly diagnosed prostate cancer patients. Eight hundred consecutive cases of newly diagnosed prostate cancer over a 64-month period underwent a staging nuclear scan. All subjects had histologically confirmed cancer. The relationship between PSA, Gleason grade, and bone scan was examined by calculating series of crude, stratified, and adjusted odds ratios with corresponding 95% confidence intervals. Four percent (32/800 of all bone scans were positive. This proportion was significantly lower in patients with Gleason score ≤7 (1.9% vs. Gleason score ≥8 (18.8%, p 30 ng/ml compared to ≤30 ng/ml (p 10 ng/ml compared to ≤10 ng/ml (p = 0.002. The combination of Gleason score and PSA enhances predictability of bone scans in newly diagnosed prostate cancer patients. The PSA threshold for ordering bone scans should be adjusted according to Gleason score. For patients with Gleason scores ≤7, we recommend a bone scan if the PSA is >30 ng/ml. However, for patients with a high Gleason score (8–10, we recommend a bone scan if the PSA is >10 ng/ml.

  18. Promoting Reproductive Health among Newly Married Couples in Shanghai

    Institute of Scientific and Technical Information of China (English)

    Yan CHE; Yong-gang DING; Chen-ping XU; Er-sheng GAO

    2006-01-01

    Objective To explore the effect of health education promotion among newly married couples who need reproductive health knowledge and service.Methods An intervention study was conducted at three sub-districts, Xuhui district,Shanghai, which aimed to improve reproductive health of newly married couples. The main intervention activities included creating educational web pages, organizing participatory activities, distributing leaflets, and providing relevant counseling and technique service.Results After intervention, the knowledge of family planning and reproductive health and their sanitary habit for these newly married couples were much improved.Conclusion This project produced a model to improve reproductive health at sub-district level and this model can be expanded to provide relevant service to other groups of people.

  19. Characteristics of newly-formed cementum following Emdogain application.

    Science.gov (United States)

    Al-Hezaimi, Khalid; Al-Askar, Mansour; Al-Rasheed, Abdulaziz

    2011-01-01

    Periodontal regenerative techniques have been proposed; however, the outcomes remain debatable. The present investigation assessed the regenerated cementum following enamel matrix derivative application in dehiscence-type defects. Buccal osseous dehiscences were surgically created on the maxillary cuspid, and the second and fourth premolars in five female beagle dogs. The treatment group (n = 15 sites) received the enamel matrix derived application, whereas the control groups (n = 15) did not. The dogs were sacrificed 4 months following treatment and the specimens were histologically and histometrically examined. The newly formed cementum was uneven in thickness and mineralization, overlapped the old cementum and exhibited functional orientation, cementocyte lacunae and collagen fibril bundles. Most of the histological specimens showed the presence of a gap between the newly formed cementum and the underlying dentin. Control sites did not exhibit any cementum formation. The present study concluded that newly formed cementum is of cellular type and exhibits multiple characteristics.

  20. Deformation mechanism of cold ring rolling in view of texture evolution predicted by a newly proposed polycrystal plasticity model%基于新晶体塑性模型预测织构演化的环件冷轧变形机制

    Institute of Scientific and Technical Information of China (English)

    李宏伟; 冯璐; 杨合

    2013-01-01

    An explicit polycrystal plasticity model was proposed to investigate the deformation mechanism of cold ring rolling in view of texture evolution. The model was created by deducing a set of linear incremental controlling equations within the framework of crystal plasticity theory. It was directly solved by a linear algorithm within a two-level procedure so that its efficiency and stability were guaranteed. A subroutine VUMAT for ABAQUS/Explicit was developed to combine this model with the 3D FE model of cold ring rolling. Results indicate that the model is reliable in predictions of stress-strain response and texture evolution in the dynamic complicated forming process; the shear strain in RD of the ring is the critical deformation mode according to the sharp Goss component ({110}〈100〉) of deformed ring; texture and crystallographic structure of the ring blank do not affect texture type of the deformed ring;texture evolves rapidly at the later stage of rolling, which results in a dramatically increasing deformation of the ring.%提出一种新的多晶体塑性模型以从织构演化角度研究环件冷轧过程的变形机制。该模型是在晶体塑性理论框架内通过推导一套线性增量控制方程建立的。该模型可以用线性求解方法直接求解,并采用一个两步法的求解过程,确保模型计算的效率和稳定性。基于ABAQUS/Explicit平台开发了用户材料子程序VUMAT,以实现该模型与环件冷轧三维有限元模型的结合。结果表明,该模型在预测动态复杂成形过程中的应力应变响应和织构演化方面都是可靠的;从轧制环件中很强的Goss织构{110}〈100〉看出,环件轧向的剪切变形是环件冷轧过程中的主要变形;环坯的织构和晶体结构对轧制环件中的织构类型的影响不大;在冷轧的后期环件织构演化迅速,这导致了这一时期环件的快速长大。

  1. Nilotinib versus imatinib for newly diagnosed chronic myeloid leukemia

    DEFF Research Database (Denmark)

    Saglio, Giuseppe; Kim, Dong-Wook; Issaragrisil, Surapol

    2010-01-01

    Nilotinib has been shown to be a more potent inhibitor of BCR-ABL than imatinib. We evaluated the efficacy and safety of nilotinib, as compared with imatinib, in patients with newly diagnosed Philadelphia chromosome-positive chronic myeloid leukemia (CML) in the chronic phase.......Nilotinib has been shown to be a more potent inhibitor of BCR-ABL than imatinib. We evaluated the efficacy and safety of nilotinib, as compared with imatinib, in patients with newly diagnosed Philadelphia chromosome-positive chronic myeloid leukemia (CML) in the chronic phase....

  2. Percutaneous Transhepatic Biliary Metal Stent for Malignant Hilar Obstruction: Results and Predictive Factors for Efficacy in 159 Patients from a Single Center

    Energy Technology Data Exchange (ETDEWEB)

    Li, Mingwu, E-mail: lmw-jack@china.com.cn; Bai, Ming, E-mail: mingbai1983@gmail.com; Qi, Xingshun, E-mail: qixingshun19840717@126.com; Li, Kai, E-mail: lkiscoming@163.com; Yin, Zhanxin, E-mail: yinzhanxin@sina.com [Fourth Military Medical University, Department of Digestive Interventional Radiology, Xijing Hospital of Digestive Diseases (China); Wang, Jianhong, E-mail: 54526844@qq.com [Fourth Military Medical University, Department of Ultrasound, Xijing Hospital of Digestive Diseases (China); Wu, Wenbing, E-mail: wuwb211@126.com; Zhen, Luanluan, E-mail: zll2007101@163.com; He, Chuangye, E-mail: sxhechuangye@126.com [Fourth Military Medical University, Department of Digestive Interventional Radiology, Xijing Hospital of Digestive Diseases (China); Fan, Daiming, E-mail: fandaim@fmmu.edu.cn [Fourth Military Medical University, State Key Laboratory of Cancer Biology and Xijing Hospital of Digestive Diseases (China); Zhang, Zhuoli, E-mail: Zhuoli-Zhang@northwestern.edu [Northwestern University, Department of Radiology (United States); Han, Guohong, E-mail: hangh2009@gmail.com, E-mail: Hangh@fmmu.edu.cn [Fourth Military Medical University, Department of Digestive Interventional Radiology, Xijing Hospital of Digestive Diseases (China)

    2015-06-15

    AimTo investigate and compare the efficacy and safety of percutaneous transhepatic biliary stenting (PTBS) using a one- or two-stage procedure and determine the predictive factors for the efficacious treatment of malignant hilar obstruction (MHO).Methods159 consecutive patients with MHO who underwent PTBS were enrolled between January 2010 and June 2013. Patients were classified into one- or two-stage groups. Independent predictors of therapeutic success were evaluated using a logistic regression model.Results108 patients were treated with one-stage PTBS and 51 patients were treated with two-stage PTBS. The stents were technically successful in all patients. Successful drainage was achieved in 114 patients (71.4 %). A total of 42 early major complications were observed. Re-interventions were attempted in 23 patients during follow-up. The cumulative primary patency rates at 3, 6, and 12 months were 88, 71, and 48 %, respectively. Stent placement using a one- or two-stage procedure did not significantly affect therapeutic success, early major complications, median stent patency, or survival. A stent placed across the duodenal papilla was an independent predictor of therapeutic success (odds ratio = 0.262, 95 % confidence interval [0.107–0.642]). Patients with stents across papilla had a lower rate of cholangitis compared with patients who had a stent above papilla (7.1 vs. 20.3 %, respectively, p = 0.03).ConclusionsThe majority of patients with MHO who underwent one-stage PTBS showed similar efficacy and safety outcomes compared with those who underwent two-stage PTBS. Stent placement across the duodenal papilla was associated with a higher therapeutic success rate.

  3. Development of a polymer based fiberoptic magnetostrictive metal detector system.

    Science.gov (United States)

    Hua, Wei Shu; Hooks, Joshua Rosenberg; Wu, Wen Jong; Wang, Wei Chih

    2010-10-01

    This paper presents a new metal detector using a fiberoptic magnetostriction sensor. The metal sensor uses a fiber-optic Mach-Zehnder interferometer with a newly developed ferromagnetic polymer as the magnetostrictive sensing material. This polymeric magnetostrictive fiberoptic metal sensor is simple to fabricate, small in size, and resistant to RF interference (which is common in typical electromagnetic type metal detectors). Metal detection is based on disruption of the magnetic flux density across the magnetostriction sensor. In this paper, characteristics of the material being sensed and magnetic properties of the ferromagnetic polymers will be discussed.

  4. Metal species involved in long distance metal transport in plants

    Science.gov (United States)

    Álvarez-Fernández, Ana; Díaz-Benito, Pablo; Abadía, Anunciación; López-Millán, Ana-Flor; Abadía, Javier

    2014-01-01

    The mechanisms plants use to transport metals from roots to shoots are not completely understood. It has long been proposed that organic molecules participate in metal translocation within the plant. However, until recently the identity of the complexes involved in the long-distance transport of metals could only be inferred by using indirect methods, such as analyzing separately the concentrations of metals and putative ligands and then using in silico chemical speciation software to predict metal species. Molecular biology approaches also have provided a breadth of information about putative metal ligands and metal complexes occurring in plant fluids. The new advances in analytical techniques based on mass spectrometry and the increased use of synchrotron X-ray spectroscopy have allowed for the identification of some metal-ligand species in plant fluids such as the xylem and phloem saps. Also, some proteins present in plant fluids can bind metals and a few studies have explored this possibility. This study reviews the analytical challenges researchers have to face to understand long-distance metal transport in plants as well as the recent advances in the identification of the ligand and metal-ligand complexes in plant fluids. PMID:24723928

  5. Computationally efficient prediction of area per lipid

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.

    2014-01-01

    Area per lipid (APL) is an important property of biological and artificial membranes. Newly constructed bilayers are characterized by their APL and newly elaborated force fields must reproduce APL. Computer simulations of APL are very expensive due to slow conformational dynamics. The simulated d....... Thus, sampling times to predict accurate APL are reduced by a factor of 10. (C) 2014 Elsevier B.V. All rights reserved....

  6. A Newly Designed Stent for Management of Malignant Distal Duodenal Stenosis

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Wei-Zhong, E-mail: xmjbq007@163.com; Yang, Zheng-Qiang, E-mail: ntdoctoryang@hotmail.com; Liu, Sheng, E-mail: liusheng1137@sina.com; Zhou, Chun-Gao, E-mail: zhouchungao@aliyun.com; Xia, Jin-Guo, E-mail: docjinguoxia@hotmail.com; Zhao, Lin-Bo, E-mail: linberzhao@hotmail.com; Shi, Hai-Bin, E-mail: shihb@njmu.edu.cn [The First Affiliated Hospital of Nanjing Medical University, Department of Interventional Radiology (China)

    2015-02-15

    PurposeTo evaluate the clinical effectiveness of a newly designed stent for the treatment of malignant distal duodenal stenosis.MethodsFrom March 2011 to May 2013, six patients with malignant duodenal stenosis underwent fluoroscopically guided placement of the new duodenal stent consisting of braided, nested stent wires, and a delivery system with a metallic mesh inner layer. Primary diseases were pancreatic cancer in three patients, gastric cancer in two patients, and endometrial stromal sarcoma in one patient. Duodenal obstructions were located in the horizontal part in two patients, the ascending part in two patients, and the duodenojejunal flexure in two patients. Technical success, defined as the successful stent deployment, clinical symptoms before and after the procedure, and complications were evaluated.ResultsTechnical success was achieved in all patients. No major complications were observed. Before treatment, two patients could not take any food and the gastric outlet obstruction scoring system (GOOSS) score was 0; the other four patients could take only liquids orally (GOOSS score = 1). After treatment, five patients could take soft food (GOOSS score = 2) and one patient could take a full diet (GOOSS score = 3). The mean duration of primary stent patency was 115.7 days.ConclusionsThe newly designed stent is associated with a high degree of technical success and good clinical outcome and may be clinically effective in the management of malignant distal duodenal obstruction.

  7. Patients with newly diagnosed carcinoma of the breast: validation of a claim-based identification algorithm.

    Science.gov (United States)

    Leung, K M; Hasan, A G; Rees, K S; Parker, R G; Legorreta, A P

    1999-01-01

    The objectives of this study were to validate a claims-based algorithm for identification of patients with newly diagnosed carcinoma of the breast and to optimize the algorithm. Claims data from all females aged 21 years or older who enrolled in a large California health maintenance organization during the study period from October 1, 1994 through March 31, 1996 were analyzed. Medical records of the patients identified through the claims-based algorithm were reviewed to determine whether the patients were correctly identified. The initial algorithm had a positive predictive value of 84% which was similar to the previous study. The percentages of correct identification significantly increased with the patient's age at diagnosis. Other patient demographic characteristics and facility characteristics were not related to the accuracy of the identification. Using a classification tree procedure and additional information from the false-positive cases, the initial algorithm was modified for improvement. The best-modified algorithm had a positive predictive value of 92% while only 0.5% (4/837) of the true-positive cases were excluded. The results once again demonstrated that patients with newly diagnosed carcinomas of the breast can be identified using claims data. These databases provide an efficient and effective tool for performing health services studies on large patient populations.

  8. Manganese efflux in Parkinsonism: insights from newly characterized SLC30A10 mutations.

    Science.gov (United States)

    DeWitt, Margaret R; Chen, Pan; Aschner, Michael

    2013-03-01

    Although manganese (Mn) is required for normal cellular function, overexposure to this metal may cause an extrapyramidal syndrome resembling Parkinson's disease (PD). Notably, high whole-blood Mn levels have been reported in patients with idiopathic PD. Because Mn is both essential at low dose and toxic at higher dose; its transport and homeostasis are tightly regulated. Previously, the only protein known to be operant in cellular Mn export was the iron-regulating transporter, ferroportin (Fpn). The causal role for Mn in PD has yet to be fully understood, but evidence of a familial predisposition to PD associated with Mn toxicity is mounting. A recently discovered mutation in SLC30A10 identified its gene product as putatively involved in Mn efflux. Patients with the SLC30A10 mutation display Parkinsonian-like gate disturbances and hypermanganesemia. This review will address Mn transport proteins, the newly discovered SLC30A10 mutations and their implications to Parkinsonism and Mn regulation.

  9. Numerical and experimental investigation on the performance of three newly designed 100 kW-class tidal current turbines

    Directory of Open Access Journals (Sweden)

    Museok Song

    2012-09-01

    Full Text Available Three types of 100 kW-class tidal stream turbines are proposed and their performance is studied both numerically and experimentally. Following a wind turbine design procedure, a base blade is derived and two additional blades are newly designed focusing more on efficiency and cavitation. For the three designed turbines, a CFD is performed by using FLUENT. The calculations predict that the newly designed turbines perform better than the base turbine and the tip vortex can be reduced with additional efficiency increase by adopting a tip rake. The performance of the turbines is tested in a towing tank with 700 mm models. The scale problem is carefully investigated and the measurements are compared with the CFD results. All the prediction from the CFD is supported by the model experiment with some quantitative discrepancy. The maximum efficiencies are 0.49 (CFD and 0.45 (experiment at TSR 5.17 for the turbine with a tip rake.

  10. Nilotinib versus imatinib for newly diagnosed chronic myeloid leukemia

    DEFF Research Database (Denmark)

    Saglio, Giuseppe; Kim, Dong-Wook; Issaragrisil, Surapol

    2010-01-01

    Nilotinib has been shown to be a more potent inhibitor of BCR-ABL than imatinib. We evaluated the efficacy and safety of nilotinib, as compared with imatinib, in patients with newly diagnosed Philadelphia chromosome-positive chronic myeloid leukemia (CML) in the chronic phase....

  11. Dilemmas of a Newly Recruited Academic Qualified Professor: A Case

    Science.gov (United States)

    Agrawal, Anand

    2015-01-01

    This case describes the situation of a newly recruited academic professor who volunteered to teach a course on Research Methods to first-term MBA students in a practitioner-oriented case method Business School. Research Methods is a unique course due to its relevance not only in business but also across all graduate programs. Instructional and…

  12. 30 CFR 46.6 - Newly hired experienced miner training.

    Science.gov (United States)

    2010-07-01

    ... TRAINING TRAINING AND RETRAINING OF MINERS ENGAGED IN SHELL DREDGING OR EMPLOYED AT SAND, GRAVEL, SURFACE STONE, SURFACE CLAY, COLLOIDAL PHOSPHATE, OR SURFACE LIMESTONE MINES. § 46.6 Newly hired experienced...) Instruction on the recognition and avoidance of electrical hazards and other hazards present at the mine,...

  13. Oral Definitions of Newly Learned Words: An Error Analysis

    Science.gov (United States)

    Steele, Sara C.

    2012-01-01

    This study examined and compared patterns of errors in the oral definitions of newly learned words. Fifteen 9- to 11-year-old children with language learning disability (LLD) and 15 typically developing age-matched peers inferred the meanings of 20 nonsense words from four novel reading passages. After reading, children provided oral definitions…

  14. Health problems of newly arrived migrants and refugees in Europe.

    Science.gov (United States)

    Pavli, Androula; Maltezou, Helena

    2017-07-01

    The number of migrants and refugees in Europe in the past few years has increased dramatically due to war, violence or prosecutions in their homeland. Migration may affect physical, mental and social health. The objective of this article is to assess migrants and refugees' health problems, and to recommend appropriate interventions. A PubMed search of published articles on health problems of newly arrived migrants and refugees was conducted from 2003 through 2016, focusing on the current refugee crisis in Europe. In addition to communicable diseases, such as respiratory, gastrointestinal and dermatologic infections, non-communicable diseases, including chronic conditions, mental and social problems, account for a significant morbidity burden in newly arrived migrants and refugees. Vaccine-preventable diseases are also of outmost importance. The appropriate management of newly arrived refugees and migrants' health problems is affected by barriers to access to health care including legal, communication, cultural and bureaucratic difficulties. There is diversity and lack of integration regarding health care provision across Europe due to policy differences between health care systems and social services. There is a notable burden of communicable and non-communicable diseases among newly arrived migrants and refugees. Provision of health care at reception and temporary centres should be integrated and provided by a multidisciplinary team Appropriate health care of migrants and refugees could greatly enhance their health and social status which will benefit also the host countries at large.

  15. Weight and Height in Children Newly Diagnosed With Cancer

    NARCIS (Netherlands)

    Brinksma, Aeltsje; Roodbol, Petrie F.; Sulkers, Esther; Hooimeijer, H. Louise; Sauer, Pieter J. J.; van Sonderen, Eric; de Bont, Eveline S. J. M.; Tissing, Wim J. E.

    2015-01-01

    Background. Although weight loss and lack of linear growth occur in children with cancer, growth history is not included in research that aims to determine nutritional status in children newly diagnosed with cancer. Therefore, this study aimed to determine weight loss and lack of linear growth in th

  16. Continuous lenalidomide treatment for newly diagnosed multiple myeloma

    DEFF Research Database (Denmark)

    Palumbo, Antonio; Hajek, Roman; Delforge, Michel

    2012-01-01

    Lenalidomide has tumoricidal and immunomodulatory activity against multiple myeloma. This double-blind, multicenter, randomized study compared melphalan-prednisone-lenalidomide induction followed by lenalidomide maintenance (MPR-R) with melphalan-prednisone-lenalidomide (MPR) or melphalan......-prednisone (MP) followed by placebo in patients 65 years of age or older with newly diagnosed multiple myeloma....

  17. Genome Sequences of Newly Isolated Mycobacteriophages Forming Cluster S.

    Science.gov (United States)

    Mills, Monique L; Bragg, Judd; Bruce, Asri; Dehn, Ari; Drouin, Jordan; Hefner, Morgan; Katon, Dylan; McHugh, Dustin; Zeba, Franck; Bowman, Charles A; Cresawn, Steven G; Jacobs-Sera, Deborah; Russell, Daniel A; Pope, Welkin H; Hatfull, Graham F; Dunbar, David A; Zegers, Gerard P; Page, Shallee T

    2016-09-29

    We describe the genomes of two mycobacteriophages, MosMoris and Gattaca, newly isolated on Mycobacterium smegmatis The two phages are very similar to each other, differing in 61 single nucleotide polymorphisms and six small insertion/deletions. Both have extensive nucleotide sequence similarity to mycobacteriophage Marvin and together form cluster S. Copyright © 2016 Mills et al.

  18. Strong decays of newly observed heavy flavor hadrons

    Institute of Scientific and Technical Information of China (English)

    LIU Xiang

    2009-01-01

    In this talk, we briefly review the experimental status of newly observed charmed hadrons during the past years. Then we introduce the theoretical progresses on these charmed hadrons, especially our studies on the strong decays of new charmed hadrous during the past one year.

  19. Bone histomorphometry in children with newly diagnosed acute lymphoblastic leukemia

    NARCIS (Netherlands)

    Leeuw, JA; Koudstaal, J; Wiersema-Buist, J; Kamps, WA; Timens, W

    2003-01-01

    The objective of this study was to obtain insight into bone formation and resorption in children with newly diagnosed untreated acute lymphoblastic leukemia (ALL). In 23 consecutive children with ALL, a bone biopsy was taken from the crista iliaca posterior under ketamine anesthesia, together with t

  20. Greening industries in newly industrialising countries: Asian-style leapfrogging?

    NARCIS (Netherlands)

    Ho, P.P.S.

    2005-01-01

    This paper provides an introduction to the six contributions in this edited volume. An overview is given of the main issues, debates and concepts on the greening of industries in Newly Industrialising Economies (NIE or NIC) with particular reference to China, Taiwan and Singapore. The rapid economic

  1. Being a team leader: newly registered nurses relate their experiences.

    Science.gov (United States)

    Ekström, Louise; Idvall, Ewa

    2015-01-01

    This paper presents a study that explores how newly qualified registered nurses experience their leadership role in the ward-based nursing care team. A nurse's clinical leadership affects the quality of care provided. Newly qualified nurses experience difficulties during the transition period from student to qualified professional and find it challenging to lead nursing care. Twelve nurses were interviewed and the transcribed texts analysed using qualitative content analysis to assess both manifest and latent content. Five themes were identified: feeling stranded; forming well-functioning teams; learning to lead; having the courage, strength, and desire to lead; and ensuring appropriate care. The findings indicate that many factors limit nurses' leadership but some circumstances are supportive. The leadership prerequisites for newly registered nurses need to improve, emphasizing different ways to create a supportive atmosphere that promotes professional development and job satisfaction. To increase nurse retention and promote quality of care, nurse managers need to clarify expectations and guide and support newly qualified nurses in a planned way. © 2013 John Wiley & Sons Ltd.

  2. The 1000 Brightest HIPASS Galaxies Newly Cataloged Galaxies

    CERN Document Server

    Ryan-Weber, E; Staveley-Smith, L; Jerjen, H; Kraan-Korteweg, R C; Ryder, S D; Barnes, D G; De Blok, W J G; Kilborn, V A

    2002-01-01

    The HI Parkes All-Sky Survey (HIPASS) is a blind 21-cm survey for extragalactic neutral hydrogen, covering the whole southern sky. The HIPASS Bright Galaxy Catalog (BGC; Koribalski et al. 2002) is a subset of HIPASS and contains the 1000 HI-brightest (peak flux density) galaxies. Here we present the 138 HIPASS BGC galaxies, which had no redshift measured prior to the Parkes multibeam HI surveys. Of the 138 galaxies, 87 are newly cataloged. Newly cataloged is defined as no optical (or infrared) counterpart in the NASA/IPAC Extragalactic Database. Using the Digitized Sky Survey we identify optical counterparts for almost half of the newly cataloged galaxies, which are typically of irregular or magellanic morphological type. Several HI sources appear to be associated with compact groups or pairs of galaxies rather than an individual galaxy. The majority (57) of the newly cataloged galaxies lie within ten degrees of the Galactic Plane and are missing from optical surveys due to confusion with stars or dust extinc...

  3. Dilemmas of a Newly Recruited Academic Qualified Professor: A Case

    Science.gov (United States)

    Agrawal, Anand

    2015-01-01

    This case describes the situation of a newly recruited academic professor who volunteered to teach a course on Research Methods to first-term MBA students in a practitioner-oriented case method Business School. Research Methods is a unique course due to its relevance not only in business but also across all graduate programs. Instructional and…

  4. Death Concerns among Individuals Newly Diagnosed with Lung Cancer

    Science.gov (United States)

    Lehto, Rebecca; Therrien, Barbara

    2010-01-01

    Confronting the reality of death is an important challenge for individuals facing life-threatening illness such as lung cancer, the leading cause of cancer death. Few studies, however, document the nature of death-related concerns in individuals newly diagnosed with lung cancer. The aims of this exploratory study were to examine unsolicited…

  5. Young Infants Encode Lexical Stress in Newly Encountered Words

    Science.gov (United States)

    Curtin, Suzanne

    2010-01-01

    In this study, we examined the nature of infants' representations of newly encountered word forms. Using a word-object association task, we taught 14-month-olds novel three-syllable words differing in segments and stress patterns. At test, we manipulated the stress pattern of the word or the position of the stressed syllable in the word. Our…

  6. Chenodeoxycholic acid reduces intestinal permeability in newly weaned piglets

    NARCIS (Netherlands)

    Meer, van der Y.; Gerrits, W.J.J.; Bosch, van den M.; Holst, J.J.; Moreto, M.; Buurman, W.A.; Kulik, W.; Kempen, van T.A.T.G.

    2012-01-01

    Piglets are highly susceptible to gut health-related problems. Intravenously administered chenodeoxycholic acid (CDCA) affects gut health mediated through glucagon-like peptide 2 (GLP-2). To test whether CDCA is a suitable feed additive for improving gut health, a trial was performed with newly wean

  7. Increased gluconeogenesis in youth with newly diagnosed type 2 diabetes

    Science.gov (United States)

    The role of increased gluconeogenesis as an important contributor to fasting hyperglycaemia at diabetes onset is not known. We evaluated the contribution of gluconeogenesis and glycogenolysis to fasting hyperglycaemia in newly diagnosed youths with type 2 diabetes following an overnight fast. Basal ...

  8. Quality of life of elderly persons with newly diagnosed cancer

    DEFF Research Database (Denmark)

    Esbensen, B A; Osterlind, K; Roer, O

    2004-01-01

    The aim was to investigate quality of life (QoL) in elderly persons newly diagnosed with cancer (65+ years) in relation to age, contact with the health-care system, ability to perform activities of daily living (ADL), hope, social network and support, and to identify which factors were associated...

  9. Prevalence of intestinal parasites in newly diagnosed HIV/AIDS ...

    African Journals Online (AJOL)

    O.A. Obateru

    2016-05-06

    May 6, 2016 ... patients. Methods: This hospital-based cross-sectional study was carried out from December 2010 to June. 2011. ... phages, and defect in the production of immunoglobulin A ... result is immunosuppression.7 There have been reports of the ... parasites in newly diagnosed treatment naıve adult HIV/AIDS.

  10. Weight and Height in Children Newly Diagnosed With Cancer

    NARCIS (Netherlands)

    Brinksma, Aeltsje; Roodbol, Petrie F.; Sulkers, Esther; Hooimeijer, H. Louise; Sauer, Pieter J. J.; van Sonderen, Eric; de Bont, Eveline S. J. M.; Tissing, Wim J. E.

    2015-01-01

    Background. Although weight loss and lack of linear growth occur in children with cancer, growth history is not included in research that aims to determine nutritional status in children newly diagnosed with cancer. Therefore, this study aimed to determine weight loss and lack of linear growth in th

  11. Erosion effect of a newly developed soft drink

    NARCIS (Netherlands)

    Huysmans, M.C.; Voss, H.P.; Ruben, J.L.; Jager, D.J.; Vieira, A.

    2006-01-01

    In this article, the erosion effect of a newly developed soft drink available in 3 different flavours is compared with the erosion effect of some common soft drinks. Several basic parameters of the soft drinks were determined: pH, titratable acidity, and the calcium as well as phosphate concentratio

  12. Metal-Organic Frameworks to Metal/Metal Oxide Embedded Carbon Matrix: Synthesis, Characterization and Gas Sorption Properties

    Directory of Open Access Journals (Sweden)

    Jiun-Jen Chen

    2015-08-01

    Full Text Available Three isostructural metal-organic frameworks, (MOFs, [Fe(OH(1,4-NDC] (1, [Al(OH(1,4-NDC] (2, and [In(OH(1,4-NDC] (3 have been synthesized hydrothermally by using 1,4-naphthalene dicarboxylate (1,4-NDC as a linker. The MOFs were characterized using various techniques and further used as precursor materials for the synthesis of metal/metal oxide nanoparticles inserted in a carbon matrix through a simple thermal conversion method. The newly synthesized carbon materials were characterized by scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy analysis, powder X-ray diffraction and BET analysis. The results showed that the MOF-derived carbon composite materials maintained the morphology of the original MOF upon carbonization, and confirmed the insertion of metal/metal oxide particles in the carbon matrix.

  13. Low Cycle Fatigue Life Prediction of Metallic Materials under Multi-Axial Nonproportional Loading: An Overview%金属材料多轴非比例低周疲劳寿命预测概述

    Institute of Scientific and Technical Information of China (English)

    吴昊; 仲政

    2016-01-01

    工程中的大多数构件承受着比例或非比例多轴疲劳荷载作用,而非比例强化效应会大大影响其多轴疲劳寿命.精确预测金属材料在多轴非比例荷载下的低周疲劳寿命需要同时考虑等向强化、随动强化及非比例强化效应下的材料本构关系,并在临界面上计算出相应应力应变值,根据不同疲劳失效形式选取不同类型的失效模型来确定疲劳寿命.本文针对这一过程中重要知识点进行阐述,并介绍了相关模型与理论.%Many engineering components are subjected to multiaxial fatigue loading which can be proportional or non-proportional.The non-proportional hardening effect has a significant influence on multiaxial fatigue life.Accurate prediction of the low cycle fatigue life of metallic materials under multiaxial non-proportional loading should employ constitutive relations considering isotropic hardening,kinematic hardening and non-proportional hardening effects simultaneously.By calculating the corresponding stress and strain components on the critical plane,the fatigue life could be estimated with the help of different fatigue failure models.This paper gives an overview of the concepts concerning the fatigue life predictions,as well as the related models and theories.

  14. Novel Experimental Simulations of the Atmospheric Injection of Meteoric Metals

    Science.gov (United States)

    Gómez Martín, J. C.; Bones, D. L.; Carrillo-Sánchez, J. D.; James, A. D.; Trigo-Rodríguez, J. M.; Fegley, B., Jr.; Plane, J. M. C.

    2017-02-01

    A newly developed laboratory, Meteoric Ablation Simulator (MASI), is used to test model predictions of the atmospheric ablation of interplanetary dust particles (IDPs) with experimental Na, Fe, and Ca vaporization profiles. MASI is the first laboratory setup capable of performing time-resolved atmospheric ablation simulations, by means of precision resistive heating and atomic laser-induced fluorescence detection. Experiments using meteoritic IDP analogues show that at least three mineral phases (Na-rich plagioclase, metal sulfide, and Mg-rich silicate) are required to explain the observed appearance temperatures of the vaporized elements. Low melting temperatures of Na-rich plagioclase and metal sulfide, compared to silicate grains, preclude equilibration of all the elemental constituents in a single melt. The phase-change process of distinct mineral components determines the way in which Na and Fe evaporate. Ca evaporation is dependent on particle size and on the initial composition of the molten silicate. Measured vaporized fractions of Na, Fe, and Ca as a function of particle size and speed confirm differential ablation (i.e., the most volatile elements such as Na ablate first, followed by the main constituents Fe, Mg, and Si, and finally the most refractory elements such as Ca). The Chemical Ablation Model (CABMOD) provides a reasonable approximation to this effect based on chemical fractionation of a molten silicate in thermodynamic equilibrium, even though the compositional and geometric description of IDPs is simplistic. Improvements in the model are required in order to better reproduce the specific shape of the elemental ablation profiles.

  15. VLSI metallization

    CERN Document Server

    Einspruch, Norman G; Gildenblat, Gennady Sh

    1987-01-01

    VLSI Electronics Microstructure Science, Volume 15: VLSI Metallization discusses the various issues and problems related to VLSI metallization. It details the available solutions and presents emerging trends.This volume is comprised of 10 chapters. The two introductory chapters, Chapter 1 and 2 serve as general references for the electrical and metallurgical properties of thin conducting films. Subsequent chapters review the various aspects of VLSI metallization. The order of presentation has been chosen to follow the common processing sequence. In Chapter 3, some relevant metal deposition tec

  16. 金属疲劳裂纹扩展速率的贝叶斯正则化BP神经网络预测%Prediction of fatigue crack growth rate of metal based on Bayesian regularized BP neural network

    Institute of Scientific and Technical Information of China (English)

    罗广恩; 崔维成

    2012-01-01

    Artificial neural network is an important method for predicting the fatigue crack growth rate. In this paper, the Bayesian regularized BP neural network is established to predict the fatigue crack growth rate of metal.The experimental data of each material at different stress ratio R are divided into two parts. One is used for training neural network, the other is used for testing the network. Experimental data of four different types of materials taken from literature were used in the analyses. The results show that the neural network has strong fitting and generalization capability. And the generalization capability of neural network is improved by reducing the training data near the threshold.So the neural network can be used for predicting the crack growth rate of different stress ratios R based on the existing data. Furthermore, it will provide a reliable and useful predictor for fatigue crack growth rate of different metals.%人工神经网络是进行预报裂纹扩展率的一个重要方法.文章针对不同金属的疲劳裂纹扩展速率分别建立贝叶斯正则化BP( Back Propagation)神经网络,将各材料在不同应力比R下的疲劳裂纹扩展速率试验数据分为两部分,一部分用来进行训练网络,另一部分用来测试训练好的网络,检验其泛化能力.将从文献中获取的4种不同金属材料的疲劳试验数据作为算例,来检验网络的性能.计算结果表明贝叶斯正则化BP神经网络不仅对训练样本有很好的拟合能力,而且对于未训练过的测试样本也有较好的预测能力,即有较强的泛化能力.同时,指出了建立网络时减少门槛值附近的试验样本点,可以提高网络的预测能力.研究结果表明,该方法可以方便地获得不同应力比R下的疲劳裂纹扩展速率,从而达到减少试验次数,充分利用已有数据的目的.并且可以进一步应用于其他金属的疲劳裂纹扩展速率的预报.

  17. Characterization of newly isolated lytic bacteriophages active against Acinetobacter baumannii.

    Science.gov (United States)

    Merabishvili, Maia; Vandenheuvel, Dieter; Kropinski, Andrew M; Mast, Jan; De Vos, Daniel; Verbeken, Gilbert; Noben, Jean-Paul; Lavigne, Rob; Vaneechoutte, Mario; Pirnay, Jean-Paul

    2014-01-01

    Based on genotyping and host range, two newly isolated lytic bacteriophages, myovirus vB_AbaM_Acibel004 and podovirus vB_AbaP_Acibel007, active against Acinetobacter baumannii clinical strains, were selected from a new phage library for further characterization. The complete genomes of the two phages were analyzed. Both phages are characterized by broad host range and essential features of potential therapeutic phages, such as short latent period (27 and 21 min, respectively), high burst size (125 and 145, respectively), stability of activity in liquid culture and low frequency of occurrence of phage-resistant mutant bacterial cells. Genomic analysis showed that while Acibel004 represents a novel bacteriophage with resemblance to some unclassified Pseudomonas aeruginosa phages, Acibel007 belongs to the well-characterized genus of the Phikmvlikevirus. The newly isolated phages can serve as potential candidates for phage cocktails to control A. baumannii infections.

  18. Flagellation of Pseudomonas aeruginosa in newly divided cells

    Science.gov (United States)

    Zhao, Kun; Lee, Calvin; Anda, Jaime; Wong, Gerard

    2015-03-01

    For monotrichous bacteria, Pseudomonas aeruginosa, after cell division, one daughter cell inherits the old flagellum from its mother cell, and the other grows a new flagellum during or after cell division. It had been shown that the new flagellum grows at the distal pole of the dividing cell when the two daughter cells haven't completely separated. However, for those daughter cells who grow new flagella after division, it still remains unknown at which pole the new flagellum will grow. Here, by combining our newly developed bacteria family tree tracking techniques with genetic manipulation method, we showed that for the daughter cell who did not inherit the old flagellum, a new flagellum has about 90% chances to grow at the newly formed pole. We proposed a model for flagellation of P. aeruginosa.

  19. Competence of newly qualified registered nurses from a nursing college

    Directory of Open Access Journals (Sweden)

    BG Morolong

    2005-09-01

    Full Text Available The South African education and training system, through its policy of outcomesbased education and training, has made competency a national priority. In compliance to this national requirement of producing competent learners, the South African Nursing Council ( 1999 B require that the beginner professional nurse practitioners and midwives have the necessary knowledge, skills, attitudes and values which will enable them to render efficient professional service. The health care system also demands competent nurse practitioners to ensure quality in health care. In the light of competency being a national priority and a statutory demand, the research question that emerges is, how competent are the newly qualified registered nurses from a specific nursing college in clinical nursing education? A quantitative, non-experimental contextual design was used to evaluate the competence of newly qualified registered nurses from a specific nursing college. The study was conducted in two phases. The first phase dealt with the development of an instrument together with its manual through the conceptualisation process. The second phase focused on the evaluation of the competency of newly qualified nurses using the instrument based on the steps of the nursing process. A pilot study was conducted to test the feasibility of the items of the instrument. During the evaluation phase, a sample of twenty-six newly qualified nurses was selected by simple random sampling from a target population of thirty-six newly qualified registered nurses. However, six participants withdrew from the study. Data was collected in two general hospitals where the newly qualified registered nurses were working. Observation and questioning were used as data collection techniques in accordance with the developed instrument. Measures were taken to ensure internal validity and reliability of the results. To protect the rights of the participants, the researcher adhered to DENOSA’S (1998

  20. Characterization of newly isolated lytic bacteriophages active against Acinetobacter baumannii.

    Directory of Open Access Journals (Sweden)

    Maia Merabishvili

    Full Text Available Based on genotyping and host range, two newly isolated lytic bacteriophages, myovirus vB_AbaM_Acibel004 and podovirus vB_AbaP_Acibel007, active against Acinetobacter baumannii clinical strains, were selected from a new phage library for further characterization. The complete genomes of the two phages were analyzed. Both phages are characterized by broad host range and essential features of potential therapeutic phages, such as short latent period (27 and 21 min, respectively, high burst size (125 and 145, respectively, stability of activity in liquid culture and low frequency of occurrence of phage-resistant mutant bacterial cells. Genomic analysis showed that while Acibel004 represents a novel bacteriophage with resemblance to some unclassified Pseudomonas aeruginosa phages, Acibel007 belongs to the well-characterized genus of the Phikmvlikevirus. The newly isolated phages can serve as potential candidates for phage cocktails to control A. baumannii infections.

  1. Quality of life of elderly persons with newly diagnosed cancer

    DEFF Research Database (Denmark)

    Esbensen, B A; Osterlind, K; Roer, O

    2004-01-01

    The aim was to investigate quality of life (QoL) in elderly persons newly diagnosed with cancer (65+ years) in relation to age, contact with the health-care system, ability to perform activities of daily living (ADL), hope, social network and support, and to identify which factors were associated...... with low QoL. The sample consisted of 101 patients (75 women and 26 men) newly diagnosed with cancer. EORTC QLQ-C30, Nowotny's Hope Scale, Katz ADL and the Interview Schedule for Social Interaction (ISSI) were used. The analysis was carried out in four age groups and revealed no significant differences...... in QoL. Compared with the other age groups, those of a high age (80+ years) more often lived alone, used more home-help service and had a smaller social network. Factors associated with low QoL were 'no other incomes than retirement pension', 'low level of hope' and 'lung cancer'. In addition, 'being...

  2. Insulin Oedema in Newly Diagnosed Type 1 Diabetes Mellitus

    Science.gov (United States)

    Çetinkaya, Semra; Yılmaz Ağladıoğlu, Sebahat; Peltek Kendirici, Havva Nur; Bilgili, Hatice; Yıldırım, Nurdan; Aycan, Zehra

    2010-01-01

    Despite the essential role of insulin in the management of patients with insulin deficiency, insulin use can lead to adverse effects such as hypoglycaemia and weight gain. Rarely, crucial fluid retention can occur with insulin therapy, resulting in an oedematous condition. Peripheral or generalised oedema is an extremely rare complication of insulin therapy in the absence of heart, liver or renal involvement. It has been reported in newly diagnosed type 1 diabetes, in poorly controlled type 2 diabetes following the initiation of insulin therapy, and in underweight patients on large doses of insulin. The oedema occurs shortly after the initiation of intensive insulin therapy. We describe two adolescent girls with newly diagnosed type 1 diabetes, who presented with oedema of the lower extremities approximately one week after the initiation of insulin treatment; other causes of oedema were excluded. Spontaneous recovery was observed in both patients. Conflict of interest:None declared. PMID:21274337

  3. Metal Detectors.

    Science.gov (United States)

    Harrington-Lueker, Donna

    1992-01-01

    Schools that count on metal detectors to stem the flow of weapons into the schools create a false sense of security. Recommendations include investing in personnel rather than hardware, cultivating the confidence of law-abiding students, and enforcing discipline. Metal detectors can be quite effective at afterschool events. (MLF)

  4. Clinical characteristics of 297 newly diagnosed Chinese HIV / AIDS patients

    Institute of Scientific and Technical Information of China (English)

    曹玮

    2014-01-01

    Objective To determine the clinical characteristics of HIV infected patients in China in order to improve early recognition and diagnosis of AIDS.Methods A total of297 newly diagnosed HIV/AIDS patients were enrolled in Peking Union Medical College Hospital(PUMCH)from January 2001 to December 2012,including 19 patients of primary phase,115 of asymptomatic phase and 163 of AIDS phase.Clinical characteristics of these patients were retrospectively analyzed.Results Two hundred and

  5. Healthcare system information at language schools for newly arrived immigrants

    DEFF Research Database (Denmark)

    Tynell, Lena Lyngholt; Wimmelmann, Camilla Lawaetz; Jervelund, Signe Smith

    2017-01-01

    Objective: In most European countries, immigrants do not systematically learn about the host countries’ healthcare system when arriving. This study investigated how newly arrived immigrants perceived the information they received about the Danish healthcare system. Method: Immigrants attending...... a language school in Copenhagen in 2012 received either a course or written information on the Danish healthcare system and subsequently evaluated this quantitatively. Results: The evaluation revealed a positive appraisal of the course/information provided. Conclusion: In times of austerity, incorporating...

  6. [Textual research on Newly Carved sun Zhenren's Qian jin fang].

    Science.gov (United States)

    Su, L

    1995-01-01

    As one of the ancient edition of Qian jin fang, this Newly Carved Sun Zhenren's Qian Jin Fang is far more authentic in the structure of its contents and its text, as compared to those editions of the Song Dynasty, and is, of course, closer to its original form and more reliable with textual significance. This article explores the distribution, characters of the edition and time of carving.

  7. A newly developed snack effective for enhancing bone volume

    Directory of Open Access Journals (Sweden)

    Hayashi Hidetaka

    2009-07-01

    Full Text Available Abstract Background The incidence of primary osteoporosis is higher in Japan than in USA and European countries. Recently, the importance of preventive medicine has been gradually recognized in the field of orthopaedic surgery with a concept that peak bone mass should be increased in childhood as much as possible for the prevention of osteoporosis. Under such background, we have developed a new bean snack with an aim to improve bone volume loss. In this study, we examined the effects of a newly developed snack on bone volume and density in osteoporosis model mice. Methods Orchiectomy (ORX and ovariectomy (OVX were performed for C57BL/6J mice of twelve-week-old (Jackson Laboratory, Bar Harbar, ME, USA were used in this experiment. We prepared and given three types of powder diet e.g.: normal calcium diet (NCD, Ca: 0.9%, Clea Japan Co., Tokyo, Japan, low calcium diet (LCD, Ca: 0.63%, Clea Japan Co., and special diet (SCD, Ca: 0.9%. Eighteen weeks after surgery, all the animals were sacrified and prepared for histomorphometric analysis to quantify bone density and bone mineral content. Results As a result of histomorphometric examination, SCD was revealed to enhance bone volume irrespective of age and sex. The bone density was increased significantly in osteoporosis model mice fed the newly developmental snack as compared with the control mice. The bone mineral content was also enhanced significantly. These phenomena were revealed in both sexes. Conclusion It is shown that the newly developed bean snack is highly effective for the improvement of bone volume loss irrespective of sex. We demonstrated that newly developmental snack supplements may be a useful preventive measure for Japanese whose bone mineral density values are less than the ideal condition.

  8. Newly-graduated midwives transcending barriers: a grounded theory study.

    Science.gov (United States)

    Barry, Michele J; Hauck, Yvonne L; O'Donoghue, Thomas; Clarke, Simon

    2013-12-01

    Midwifery has developed its own philosophy to formalise its unique identity as a profession. Newly-graduated midwives are taught, and ideally embrace, this philosophy during their education. However, embarking in their career within a predominantly institutionalised and the medically focused health-care model may challenge this application. The research question guiding this study was as follows: 'How do newly graduated midwives deal with applying the philosophy of midwifery in their first six months of practice?' The aim was to generate a grounded theory around this social process. This Western Australian grounded theory study is conceptualised within the social theory of symbolic interactionism. Data were collected by means of in-depth, semi-structured interviews with 11 recent midwifery graduates. Participant and interviewer's journals provided supplementary data. The 'constant comparison' approach was used for data analysis. The substantive theory of transcending barriers was generated. Three stages in transcending barriers were identified: Addressing personal attributes, Understanding the 'bigger picture', and finally, 'Evaluating, planning and acting' to provide woman-centred care. An overview of these three stages provides the focus of this article. The theory of transcending barriers provides a new perspective on how newly-graduated midwives deal with applying the philosophy of midwifery in their first six months of practice. A number of implications for pre and post registration midwifery education and policy development are suggested, as well as recommendations for future research. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Hope as experienced in women newly diagnosed with gynaecological cancer

    DEFF Research Database (Denmark)

    Hammer, Kristianna; Mogensen, Ole; Hall, Elisabeth O C

    2009-01-01

    AIM: This article presents findings from a hermeneutic-phenomenological study with the aim to investigate the meaning of the lived experience of hope in women newly diagnosed with gynaecological cancer. METHOD: Fifteen women were interviewed the day they were receiving the diagnosis at a gynaecol......AIM: This article presents findings from a hermeneutic-phenomenological study with the aim to investigate the meaning of the lived experience of hope in women newly diagnosed with gynaecological cancer. METHOD: Fifteen women were interviewed the day they were receiving the diagnosis...... at a gynaecological department of a Danish university hospital. The women, aged 24-87 (median 52yrs), were diagnosed with ovarian, endometrial, cervical and vulvar cancer. RESULTS: Hope was found to be connected to both diagnosis, cure, family life and life itself and closely tied to hopelessness. The newly received...... cancer diagnosis made the women oscillate between hope and hopelessness, between positive expectations of getting cured and frightening feelings of the disease taking over. Five major interrelated themes of hope were identified: hope of being cured, cared for and getting back to normal, hope as being...

  10. Hope as experienced in women newly diagnosed with gynaecological cancer.

    Science.gov (United States)

    Hammer, Kristianna; Mogensen, Ole; Hall, Elisabeth O C

    2009-09-01

    This article presents findings from a hermeneutic-phenomenological study with the aim to investigate the meaning of the lived experience of hope in women newly diagnosed with gynaecological cancer. Fifteen women were interviewed the day they were receiving the diagnosis at a gynaecological department of a Danish university hospital. The women, aged 24-87 (median 52 yrs), were diagnosed with ovarian, endometrial, cervical and vulvar cancer. Hope was found to be connected to both diagnosis, cure, family life and life itself and closely tied to hopelessness. The newly received cancer diagnosis made the women oscillate between hope and hopelessness, between positive expectations of getting cured and frightening feelings of the disease taking over. Five major interrelated themes of hope were identified: hope of being cured, cared for and getting back to normal, hope as being active and feeling well, hope as an internal power to maintain integration, hope as significant relationships and hope as fighting against hopelessness. Thus, hope was woven together with hopelessness in a mysterious way; it took command through inner strength and courage based on a trust in being cured and of being in relationship with significant others. The findings of the close relationship between the shades of hope and hopelessness support the need for nurses to continue to practice hope-inspiring nursing. Nurses need to understand the complexity of hope and its close connection to hopelessness when newly diagnosed with a threatening disease as cancer; and the findings might help nurses assist patients in fighting hopelessness.

  11. Exploring Mg-Zn-Ca-Based Bulk Metallic Glasses for Biomedical Applications Based on Thermodynamic Approach

    Science.gov (United States)

    Ramya, M.; Sarwat, Syed Ghazi; Udhayabanu, V.; Raj, Baldev; Ravi, K. R.

    2015-12-01

    Magnesium (Mg)-based metallic glasses are considered as possible candidates in orthopedic implant applications. This paper aims to theoretically predict the glass-forming ability (GFA) in Mg-Zn-Ca alloy using a newly proposed thermodynamic model ( P HHS), and the consistency of this model is verified through experimental analysis. P HHS is based on thermodynamic parameters such as enthalpy of chemical mixing, elastic enthalpy, and configurational entropy, thus incorporating the pivotal effects, i.e., electron transfer effects, effect of atomic size mismatch, and effect of randomness, which aid to high GFA. In essence, P HHS can be visualized as the energy barrier that exists between the transformations of random atomic structure of glass to ordered crystalline structure. When the P HHS value is more negative, the energy barrier will be high, supporting easy glass formation. Various Mg-Zn-Ca metallic glass compositions displayed almost an expected and supporting trend, where the critical diameter of the metallic glass rod increased with a more negative P HHS value. Among the predicted Mg-Zn-Ca systems, the Mg60Zn35Ca5 composition shows deviation from the expected trend. This discrepancy has been clearly elucidated using a eutectic phase diagram. In addition to the consistency of the P HHS parameter to verifying the GFA of various compositions, the unique ability of this model is to predict unexplored Mg-Zn-Ca glass-forming compositions using contour development. Thus, proving P HHS parameter to be used as an efficient tool in predicting new glass-forming compositions.

  12. Metals at the surface of last scatter

    CERN Document Server

    Ali-Haïmoud, Yacine; Kamionkowski, Marc

    2011-01-01

    Standard big-bang nucleosynthesis (BBN) predicts only a trace abundance of lithium and no heavier elements, but some alternatives predict a nonzero primordial metallicity. Here we explore whether CMB measurements may set useful constraints to the primordial metallicity and/or whether the standard CMB calculations are robust, within the tolerance of forthcoming CMB maps, to the possibility of primordial metals. Metals would affect the recombination history (and thus CMB power spectra) in three ways: (1) Lyman-alpha photons can be removed (and recombination thus accelerated) by photoionizing metals. (2) The Bowen resonance-fluorescence mechanism may degrade Lyman-beta photons and thus enhance the Lyman-beta escape probability and speed up recombination. (3) Metals could affect the low-redshift tail of the CMB visibility function by providing additional free electrons. The last two of these provide the strongest CMB signal. However, the effects are detectable in the Planck satellite only if the primordial metal ...

  13. A Comparison of Individual-Level and Community-Level Predictors of Marijuana and Cocaine Use among a Sample of Newly Arrested Juvenile Offenders

    Science.gov (United States)

    Childs, Kristina; Dembo, Richard; Belenko, Steven; Wareham, Jennifer; Schmeidler, James

    2011-01-01

    Variations in drug use have been found across individual-level factors and community characteristics, and by type of drug used. Relatively little research, however, has examined this variation among juvenile offenders. Based on a sample of 924 newly arrested juvenile offenders, two multilevel logistic regression models predicting marijuana test…

  14. Prevalence of elevated C-reactive protein among newly diagnosed type 2 diabetes patients in Denmark: Results from the population-based DD2 study

    DEFF Research Database (Denmark)

    Thomsen, Reimar W.; Mor, Anil; Rungby, Jørgen

    Objectives: Levels of high-sensitivity C-reactive protein (CRP) are increased in patients with prevalent type 2 diabetes (T2D) and may predict coronary heart disease. There is limited knowledge of CRP levels among newly diagnosed T2D patients in the population-based setting. We determined...

  15. Ultralight metal foams

    Science.gov (United States)

    Jiang, Bin; He, Chunnian; Zhao, Naiqin; Nash, Philip; Shi, Chunsheng; Wang, Zejun

    2015-09-01

    Ultralight (acoustic, vibration, or shock energy damping. However, most of these ultralight materials, especially ultralight metal foams, are fabricated using either expensive materials or complicated procedures, which greatly limit their large-scale production and practical applications. Here we report a simple and versatile method to obtain ultralight monolithic metal foams. These materials are fabricated with a low-cost polymeric template and the method is based on the traditional silver mirror reaction and electroless plating. We have produced ultralight monolithic metal foams, such as silver, nickel, cobalt, and copper via this method. The resultant ultralight monolithic metal foams have remarkably low densities down to 7.4 mg/cm3 or 99.9% porosity. The metal foams have a long flat stress-train curve in compression tests and the densification strain ɛD of the Ni/Ag foam with a porosity of 99.8% can reach 82%. The plateau stress σpl was measured and found to be in agreement with the value predicted by the cellular solids theory.

  16. Metal-Poor Stars Observed with the Magellan Telescope I. Constraints on Progenitor Mass and Metallicity of AGB Stars Undergoing s-Process Nucleosynthesis

    CERN Document Server

    Placco, Vinicius M; Beers, Timothy C; Karakas, Amanda I; Kennedy, Catherine R; Rossi, Silvia; Christlieb, Norbert; Stancliffe, Richard J

    2013-01-01

    We present a comprehensive abundance analysis of two newly-discovered carbon-enhanced metal-poor (CEMP) stars. HE2138-3336 is a s-process-rich star with [Fe/H] = -2.79, and has the highest [Pb/Fe] abundance ratio measured thus far, if NLTE corrections are included ([Pb/Fe] = +3.84). HE2258-6358, with [Fe/H] = -2.67, exhibits enrichments in both s- and r-process elements. These stars were selected from a sample of candidate metal-poor stars from the Hamburg/ESO objective-prism survey, and followed up with medium-resolution (R ~ 2,000) spectroscopy with GEMINI/GMOS. We report here on derived abundances (or limits) for a total of 34 elements in each star, based on high-resolution (R ~ 30,000) spectroscopy obtained with Magellan-Clay/MIKE. Our results are compared to predictions from new theoretical AGB nucleosynthesis models of 1.3 Mo with [Fe/H] = -2.5 and -2.8, as well as to a set of AGB models of 1.0 to 6.0 Mo at [Fe/H] = -2.3. The agreement with the model predictions suggests that the neutron-capture materia...

  17. [Metal poisoning].

    Science.gov (United States)

    Ferrer, A

    2003-01-01

    Metals are amongst the oldest toxic substances known to man. In today's industrialized world the sources of exposure to metals are ubiquitous both in the field of work and from polluted water, foodstuffs and the environment. Their toxicity is characterized by the metallic element in question, but this is modified by the type of compound, whether organic or inorganic, and its characteristics of hydrosolubility and liposolubility, which determines its toxicokinetics and thus the possibilities of it reaching its targets. The biomolecules most affected by metals are the proteins with enzymatic activity, which is why their pathology is multisystemic. The principal systems affected are the gastrointestinal, central and peripheral neurological, haematic and renal. Some metallic compounds are carcinogenic. Metals's treatment is conditioned by their chemical reactivity. They can be deactivated and eliminated by the administering of chelating agents that produce complex molecules, which are non-toxic and can be excreted. The principal chelating agents are: BAL (British Anti-Lewisite or dimercaprol) DMPS (2,3-Dimercapto-1-propanesulfonic Acid) and DMSA (meso-2,3-Dimercaptosuccinic or Succimer), EDTA, Penicilamine (b,b-dimethylcysteine) and Deferoxamine. Toxicokinetic characteristics, mechanism of action, clinical picture and treatment of some of the most relevant metals and metalloids: lead, mercury and arsenic, are considered.

  18. Diverse ruthenium nitrides stabilized under pressure: a theoretical prediction

    Science.gov (United States)

    Zhang, Yunkun; Wu, Lailei; Wan, Biao; Lin, Yangzheng; Hu, Qingyang; Zhao, Yan; Gao, Rui; Li, Zhiping; Zhang, Jingwu; Gou, Huiyang

    2016-09-01

    First-principles calculations were performed to understand the structural stability, synthesis routes, mechanical and electronic properties of diverse ruthenium nitrides. RuN with a new I-4m2 symmetry stabilized by pressure is found to be energetically preferred over the experimental NaCl-type and ZnS-type ones. The Pnnm-RuN2 is found to be stable above 1.1 GPa, in agreement with the experimental results. Specifically, new stoichiometries like RuN3 and RuN4 are proposed firstly to be thermodynamically stable, and the dynamical and mechanical stabilities of the newly predicted structures have been verified by checking their phonon spectra and elastic constants. A phase transition from P4/mmm-RuN4 to C2/c-RuN4 is also uncovered at 23.0 GPa. Drawn from bonding and band structure analysis, P4/mmm-RuN4 exhibits semi-metal-like behavior and becomes a semiconductor for the high-pressure C2/c-RuN4 phase. Meanwhile the P21/c-RuN3 shows metallic feature. Highly directional covalent N-N and Ru-N bonds are formed and dominating in N-enriched Ru nitrides, making them promising hard materials.

  19. Metals 2000

    Energy Technology Data Exchange (ETDEWEB)

    Allison, S.W.; Rogers, L.C.; Slaughter, G. [Oak Ridge National Lab., TN (United States); Boensch, F.D. [6025 Oak Hill Lane, Centerville, OH (United States); Claus, R.O.; de Vries, M. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States)

    1993-05-01

    This strategic planning exercise identified and characterized new and emerging advanced metallic technologies in the context of the drastic changes in global politics and decreasing fiscal resources. In consideration of a hierarchy of technology thrusts stated by various Department of Defense (DOD) spokesmen, and the need to find new and creative ways to acquire and organize programs within an evolving Wright Laboratory, five major candidate programs identified are: C-17 Flap, Transport Fuselage, Mach 5 Aircraft, 4.Fighter Structures, and 5. Missile Structures. These results were formed by extensive discussion with selected major contractors and other experts, and a survey of advanced metallic structure materials. Candidate structural applications with detailed metal structure descriptions bracket a wide variety of uses which warrant consideration for the suggested programs. An analysis on implementing smart skins and structures concepts is given from a metal structures perspective.

  20. ' HEAVY METALS

    African Journals Online (AJOL)

    exposed fish were about 3-5 times higher than the concentrations detected in control fish. ... The outcome effect 15 impairment of carbohydrate metabolism, which caused fish ..... of pesticides, heavy metal, detergent and petroleum.

  1. Metal-oxide-metal point contact junction detectors. [detection mechanism and mechanical stability

    Science.gov (United States)

    Baird, J.; Havemann, R. H.; Fults, R. D.

    1973-01-01

    The detection mechanism(s) and design of a mechanically stable metal-oxide-metal point contact junction detector are considered. A prototype for a mechanically stable device has been constructed and tested. A technique has been developed which accurately predicts microwave video detector and heterodyne mixer SIM (semiconductor-insulator-metal) diode performance from low dc frequency volt-ampere curves. The difference in contact potential between the two metals and geometrically induced rectification constitute the detection mechanisms.

  2. Initial genetic diversity enhances population establishment and alters genetic structuring of a newly established Daphnia metapopulation.

    Science.gov (United States)

    Holmes, Christopher J; Pantel, Jelena H; Schulz, Kimberly L; Cáceres, Carla E

    2016-07-01

    When newly created habitats are initially colonized by genotypes with rapid population growth rates, later arriving colonists may be prevented from establishing. Although these priority effects have been documented in multiple systems, their duration may be influenced by the diversity of the founding population. We conducted a large-scale field manipulation to investigate how initial clonal diversity influences temporal and landscape patterns of genetic structure in a developing metapopulation. Six genotypes of obligately asexual Daphnia pulex were stocked alone (no clonal diversity) or in combination ('high' clonal diversity) into newly created experimental woodland ponds. We also measured the population growth rate of all clones in the laboratory when raised on higher-quality and lower-quality resources. Our predictions were that in the 3 years following stocking, clonally diverse populations would be more likely to persist than nonclonally diverse populations and exhibit evidence for persistent founder effects. We expected that faster growing clones would be found in more pools and comprise a greater proportion of individuals genotyped from the landscape. Genetic composition, both locally and regionally, changed significantly following stocking. Six of 27 populations exhibited evidence for persistent founder effects, and populations stocked with 'high' clonal diversity were more likely to exhibit these effects than nonclonally diverse populations. Performance in the laboratory was not predictive of clonal persistence or overall dominance in the field. Hence, we conclude that although laboratory estimates of fitness did not fully explain metapopulation genetic structure, initial clonal diversity did enhance D. pulex population establishment and persistence in this system.

  3. Differential stress responses among newly received calves: variations in reductant capacity and Hsp gene expression.

    Science.gov (United States)

    Eitam, Harel; Vaya, Jacob; Brosh, Arieh; Orlov, Ala; Khatib, Soliman; Izhaki, Ido; Shabtay, Ariel

    2010-11-01

    Bovine respiratory disease complex (BRD), a major economic concern to the beef cattle industry all over the world, is triggered by physical, biological and psychological stresses. It is becoming noticeable that the key to reducing BRD appears to be centered at reducing the response to stress. The aims of the present study were to detect individual variations in the stress response of newly received young calves through their leukocyte heat shock protein (Hsp) response, selected neutrophil-related gene expression and oxidative stress, and relate them to pulmonary adhesions at slaughter, an indicative sign of clinical and subclinical episodes of BRD at an early age. Differential expression patterns of Hsp60 and Hsp70A1A were revealed in newly received calves 1 h, 5 h and 1 day after arrival, distinguishing between stress-responsive and non-stress-responsive individuals. Plasma cortisol was also indicative of stress-responsive and non-stress-responsive individuals, 1 h and 5 h after arrival. At the longer term, β-glycan levels were highest 7 days after arrival and significantly correlated with an adhesion-free phenotype at slaughter. Oxidative stress responses, measured through the oxidation products of the exogenous linoleoyl tyrosine (LT) marker, revealed that hydroperoxidation and epoxidation of membranes may readily occur. Based on the LT oxidation products and levels of β-glycan, we present a discriminant analysis model, according to which vulnerable individuals may be predicted at near 100% probability 7 days after arrival. Since clinical signs of BRD may often go undetected in feedlot calves, such a model, after its examination in large-scale experiments, may be a reliable tool for an early prediction of subclinical signs of BRD.

  4. Coping strategies among patients with newly diagnosed amyotrophic lateral sclerosis.

    Science.gov (United States)

    Jakobsson Larsson, Birgitta; Nordin, Karin; Askmark, Håkan; Nygren, Ingela

    2014-11-01

    To prospectively identify different coping strategies among newly diagnosed amyotrophic lateral sclerosis patients and whether they change over time and to determine whether physical function, psychological well-being, age and gender correlated with the use of different coping strategies. Amyotrophic lateral sclerosis is a fatal disease with impact on both physical function and psychological well-being. Different coping strategies are used to manage symptoms and disease progression, but knowledge about coping in newly diagnosed amyotrophic lateral sclerosis patients is scarce. This was a prospective study with a longitudinal and descriptive design. A total of 33 patients were included and evaluation was made at two time points, one to three months and six months after diagnosis. Patients were asked to complete the Motor Neuron Disease Coping Scale and the Hospital Anxiety and Depression Scale. Physical function was estimated using the revised Amyotrophic Lateral Sclerosis Functional Rating Scale. The most commonly used strategies were support and independence. Avoidance/venting and information seeking were seldom used at both time points. The use of information seeking decreased between the two time points. Men did not differ from women, but patients ≤64 years used positive action more often than older patients. Amyotrophic Lateral Sclerosis Functional Rating Scale was positively correlated with positive action at time point 1, but not at time point 2. Patients' psychological well-being was correlated with the use of different coping strategies. Support and independence were the most used coping strategies, and the use of different strategies changed over time. Psychological well-being was correlated with different coping strategies in newly diagnosed amyotrophic lateral sclerosis patients. The knowledge about coping strategies in early stage of the disease may help the nurses to improve and develop the care and support for these patients. © 2014 John Wiley

  5. Plasma metallization

    CERN Document Server

    Crowther, J M

    1997-01-01

    Many methods are currently used for the production of thin metal films. However, all of these have drawbacks associated with them, for example the need for UHV conditions, high temperatures, exotic metal precursors, or the inability to coat complex shaped objects. Reduction of supported metal salts by non-isothermal plasma treatment does not suffer from these drawbacks. In order to produce and analyse metal films before they become contaminated, a plasma chamber which could be attached directly to a UHV chamber with XPS capability was designed and built. This allowed plasma treatment of supported metal salts and surface analysis by XPS to be performed without exposure of the metal film to the atmosphere. Non-equilibrium plasma treatment of Nylon 66 supported gold(lll) chloride using hydrogen as the feed gas resulted in a 95% pure gold film, the remaining 5% of the film being carbon. If argon or helium were used as the feed gases during plasma treatment the resultant gold films were 100% pure. Some degree of s...

  6. Resilience, self-efficacy, coping styles and depressive and anxiety symptoms in those newly diagnosed with multiple sclerosis.

    Science.gov (United States)

    Tan-Kristanto, Stef; Kiropoulos, Litza A

    2015-01-01

    High levels of depressive and anxiety symptoms have been reported by individuals with multiple sclerosis (MS). This study examined the associations between resilience, self-efficacy and coping and depressive and anxiety symptoms and whether resilience, self-efficacy and coping were predictors of depressive and anxiety symptoms in patients newly diagnosed with MS. A sample of 129 individuals newly diagnosed with MS participated in this cross-sectional study and completed an online questionnaire assessing resilience, self-efficacy, coping and depressive and anxiety symptoms. Results revealed that depressive and anxiety symptoms were significantly associated with problem-focused, emotion-focused and avoidance coping strategies, resilience and self-efficacy. Anxiety symptoms were also significantly associated with employment status and level of disability. Results from hierarchical multiple regression revealed that the resilience subscale of personal competence, the avoidance coping style of substance use and emotion-focused coping styles of venting predicted depressive symptoms and uniquely accounted for 63.8% of the variance in the depression score, F (18, 124) = 10.36, p = .000. Level of disability and employment status accounted for 13.2% of the anxiety score and avoidance coping style of denial and emotion-focused coping style of humour accounted for 36.4% of the variance in the anxiety symptom score, F (15, 112) = 6.37, p = .000. Our findings suggest that resilience and avoidance and emotion-focused coping strategies are predictive of depressive symptoms and anxiety symptoms in those newly diagnosed with MS. Resilience and coping styles may be another target for interventions aimed at managing depressive and anxiety symptoms in those newly diagnosed with MS.

  7. Newly Described Tumor Entities in Sinonasal Tract Pathology.

    Science.gov (United States)

    Bishop, Justin A

    2016-03-01

    Surgical pathology of the sinonasal tract (nasal cavity and paranasal sinuses) is extremely challenging due in part to the tremendous diversity of tumor types that may arise in this region. Compounding the difficulty, a number of new sinonasal tumor entities have been recently described, and pathologists may not yet be familiar with these neoplasms. This manuscript will review the clinicopathologic features of some of the newly described sinonasal tumor types: NUT midline carcinoma, HPV-related carcinoma with adenoid cystic-like features, SMARCB1 (INI-1) deficient sinonasal carcinoma, biphenotypic sinonasal sarcoma, and renal cell-like adenocarcinoma.

  8. “Genealogy Record of Yehe Nala” newly completed

    Institute of Scientific and Technical Information of China (English)

    XueBaicheng

    2004-01-01

    Na shiyuan from Benxi of Liaoning Province finally completed compiling the “Genealogy Record of Yehe Nala” after spending years in studying a large number of ancient documentsand tracking the migration and the growth of the clan's ancestors about 500 years ago. The genealogy record is mostly based on “Genealogy Record of Na Clan” which was first written by Na Shoushan in 1943 and then re-compiled by his son. The newly edition records in detail the clan members' political, military and academic achievements,

  9. Bonding theory for metals and alloys

    CERN Document Server

    Wang, Frederick E

    2005-01-01

    Bonding Theory for Metals and Alloys exhorts the potential existence of covalent bonding in metals and alloys. Through the recognition of the covalent bond in coexistence with the 'free' electron band, the book describes and demonstrates how the many experimental observations on metals and alloys can all be reconciled. Subsequently, it shows how the individual view of metals and alloys by physicists, chemists and metallurgists can be unified. The physical phenomena of metals and alloys covered in this book are: Miscibility Gap between two liquid metals; Phase Equilibrium Diagrams; Phenomenon of Melting. Superconductivity; Nitinol; A Metal-Alloy with Memory; Mechanical Properties; Liquid Metal Embrittlement; Superplasticity; Corrosion; The author introduces a new theory based on 'Covalon' conduction, which forms the basis for a new approach to the theory of superconductivity. This new approach not only explains the many observations made on the phenomenon of superconductivity but also makes predictions that ha...

  10. [Comprehensive evaluation of improving effects of different organic wastes on a newly reclaimed cultivated land].

    Science.gov (United States)

    Xu, Qiu-tong; Kong, Zhang-liang; Zhang, Ming-kui

    2016-02-01

    There are many problems such as low soil organic matter, available nutrients and microbial activity, compaction, and poor tillage properties for a newly reclaimed cultivated land, and the establishment of a fast, effective measure for improving soil fertility quality is of importance to enhance the quality and production performance of the newly cultivated land. A field experiment was carried out to observe the effect of organic wastes on soil fertility of a newly reclaimed cultivated land, and compared the differences of different types of urban organic wastes. The field experiment included nine treatments, i.e., pig manure, chicken manure, rice straw, vegetable harvest residue, urban sludge, biogas residue, manure+rice straw compost, garbage compost and control without organic fertilizer at annual application rate of 30 t . hm-2, and ran for three consecutive years. The results showed that the application of each type of the eight organic wastes had obvious effects on improving soil fertility. Among them, pig manure, chicken manure, pig manure+rice straw compost, rice straw and biogas residue were the most effective to enhance the carbon pool management index of soil. The addition of pig manure+rice straw compost and biogas residue had the best effect on increasing the soil water stable aggregates and decreasing soil bulk density. Sewage sludge, pig manure+rice straw compost and garbage compost could enhance soil water holding capacity. Pig manure, chicken manure and pig manure+rice straw compost had most obvious effect on increasing soil available nutrients. All kinds of organic wastes increased the number of soil microorganisms and the activity of enzymes. There were some risk of soil heavy metals pollution.for the long-term application of sludge, garbage compost and manure. However, the impact of short-term application of the wastes on soil environmental quality was not obvious. Overall, effects of organic wastes on soil fertility decreased in the order of pig

  11. Heilongjiang discovered a number of non ferrous metal mineral locations

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>Non-ferrous Metal Geological Exploration Bu- reau of Heilongjiang Province achieved signifi- cant mine searching results in 2007:estimation and forecast of resource reserves covered 60,000 tons of Molybdenum,70,000 tons of copper,9 million tons of iron,2.9 tons of gold, 250 tons of silver,and 80,000 tons of lead and zinc.Newly discovered metal mine locations

  12. Bioavailability of Metals in Contaminated Sediments

    Directory of Open Access Journals (Sweden)

    Paller M. H.

    2013-04-01

    Full Text Available Bioavailability controls the transfer of metals from sediments to ecological receptors and humans. It can rarely be predicted from total metal concentrations because it is affected by metal geochemistry in sediments as well as the biochemistry, physiology, and behavior of benthic organisms. There is no single approach for including bioavailability in risk assessments because of variability in site specific conditions and the difficulty of validating methods. Acid-volatile sulfide and simultaneously extracted metals are useful in predicting bioavailability in anoxic sediments containing sulfides that react to form insoluble metal complexes. This method can be improved by adjusting for organic carbon and other ligands that also bind free metals. Site-specific desorption Kd values calculated by sequential extraction methods can be useful in predicting bioavailable metal fractions in oxic and anoxic sediments. A modified desorption distribution coefficient (Kdg can be calculated by extraction with the digestive gut fluids of sediment feeding organisms to account for the effects of ingestion on metal release from sediments. Recently developed in situ measurement technologies can accumulate dissolved metals in a controlled fashion that may correspond with bioavailable metal fractions in sediment. Successful evaluation of bioavailability requires the selection of methods suitable for the organisms and sediment environments under consideration. A weight-of-evidence approach that incorporates multiple lines of evidence can help address uncertainties and increase the likelihood of incorporating bioavailability into remedial decisions.

  13. Metallic Hydrogen: The Most Powerful Rocket Fuel Yet To Exist

    OpenAIRE

    Silvera, Isaac F.; Cole, John W.

    2010-01-01

    Wigner and Huntington first predicted that pressures of order 25 GPa were required for the transition of solid molecular hydrogen to the atomic metallic phase. Later it was predicted that metallic hydrogen might be a metastable material so that it remains metallic when pressure is released. Experimental pressures achieved on hydrogen have been more than an order of magnitude higher than the predicted transition pressure and yet it remains an insulator. We discuss the applications of metast...

  14. Newly velocity field of Sulawesi Island from GPS observation

    Science.gov (United States)

    Sarsito, D. A.; Susilo, Simons, W. J. F.; Abidin, H. Z.; Sapiie, B.; Triyoso, W.; Andreas, H.

    2017-07-01

    Sulawesi microplate Island is located at famous triple junction area of the Eurasian, India-Australian, and Philippine Sea plates. Under the influence of the northward moving Australian plate and the westward motion of the Philippine plate, the island at Eastern part of Indonesia is collide and with the Eurasian plate and Sunda Block. Those recent microplate tectonic motions can be quantitatively determine by GNSS-GPS measurement. We use combine GNSS-GPS observation types (campaign type and continuous type) from 1997 to 2015 to derive newly velocity field of the area. Several strategies are applied and tested to get the optimum result, and finally we choose regional strategy to reduce error propagation contribution from global multi baseline processing using GAMIT/GLOBK 10.5. Velocity field are analyzed in global reference frame ITRF 2008 and local reference frame by fixing with respect alternatively to Eurasian plate - Sunda block, India-Australian plate and Philippine Sea plates. Newly results show dense distribution of velocity field. This information is useful for tectonic deformation studying in geospatial era.

  15. Compaction and transport properties of newly replicated Caulobacter crescentus DNA.

    Science.gov (United States)

    Hong, Sun-Hae; McAdams, Harley H

    2011-12-01

    Upon initiating replication of the Caulobacter chromosome, one copy of the parS centromere remains at the stalked pole; the other moves to the distal pole. We identified the segregation dynamics and compaction characteristics of newly replicated Caulobacter DNA during transport (highly variable from cell to cell) using time-lapse fluorescence microscopy. The parS centromere and a length (also highly variable) of parS proximal DNA on each arm of the chromosome are segregated with the same relatively slow transport pattern as the parS locus. Newly replicated DNA further than about 100 kb from parS segregates with a different and faster pattern, while loci at 48 kb from parS segregate with the slow pattern in some cells and the fast pattern in others. The observed parS-proximal DNA compaction characteristics have scaling properties that suggest the DNA is branched. HU2-deletion strains exhibited a reduced compaction phenotype except near the parS site where only the ΔHU1ΔHU2 double mutant had a compaction phenotype. The chromosome shows speed-dependent extension during translocation suggesting the DNA polymer is under tension. While DNA segregation is highly reliable and succeeds in virtually all wild-type cells, the high degree of cell to cell variation in the segregation process is noteworthy.

  16. Technical Equivalency Documentation for a Newly Aquired Alpha Spectroscopy System

    Energy Technology Data Exchange (ETDEWEB)

    Hickman, D P; Fisher, S K; Hann, P R; Hume, R

    2007-04-25

    The response of a recently acquired Canberra{trademark} Alpha Analyst 'Blue' system (Chamber Number's 173-208) used by the Hazards Control, Radiation Safety Section, WBC/Spectroscopy Team has been studied with respect to an existing Canberra system. The existing Canberra system consists of thirty Alpha Analyst dual chambers Model XXXX comprising a total of sixty detectors (Chambers Number's 101-124 and 137-172). The existing chambers were previously compared to an older system consisting of thirty-six Model 7401 alpha spectrometry chambers (Chamber Number's 1-36) Chambers 101-124 and 137-172 are DOELAP accredited. The older system was previously DOELAP accredited for the routine Alpha Spectroscopy program used in LLNL's in vitro bioassay program. The newly acquired Alpha Analyst system operates on a network with software that controls and performs analysis of the current Alpha Analyst system (Chamber Number's 101-124 and 137-172). This exact same software is used for the current system and the newly acquired system and is DOELAP accredited. This document compares results from the existing Alpha System with the newer Alpha Analyst system.

  17. [Synthetic Drugs - An Overview of Important and Newly Emerging Substances].

    Science.gov (United States)

    Betzler, F; Heinz, A; Köhler, S

    2016-11-01

    Background: Synthetic drug use and abuse are on the rise. Governmental institutions report a shift in consumption from natural drugs to synthetic drugs, and show an increase in confiscation, particularly of methamphetamine and newly identified psychoactive substances. In addition, the media report an alarming increase in the rate of consumption and casualties resulting from the use of drugs such as "crystal meth" and warn against a flood of this and other designer drugs from eastern European countries. Objectives: The present article gives an overview of current popular and widely used synthetic drugs, both classical substances (amphetamine, methamphetamine, MDMA) and new psychoactive substances ("designer drugs", "legal highs"). It addresses their pharmacology, effects, side effects, and risks. It furthermore explores newly emerging problems for the health system and clinical practice regarding the treatment of intoxication as well as withdrawal. Methods: The current scientific literature concerning synthetic drugs is summarized and official statistics and reports provided by the government are reviewed. Results: Different derivatives of amphetamine vary in their risk of harm and addictive potential. Methamphetamine, one of the most dangerous derivatives, is increasingly being consumed in certain regions of Germany. New psychoactive substances represent a heterogeneous group of substances. Since the substances are often unknown to the user, they are unpredictable in their effects and side effects.

  18. HOW CAN NEWLY BORN RAPIDLY ROTATING NEUTRON STARS BECOME MAGNETARS?

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Quan; Yu, Yun-Wei, E-mail: yuyw@mail.ccnu.edu.cn [Institute of Astrophysics, Central China Normal University, Wuhan 430079 (China)

    2014-05-10

    In a newly born (high-temperature and Keplerian rotating) neutron star, r-mode instability can lead to stellar differential rotation, which winds the seed poloidal magnetic field (∼10{sup 11} G) to generate an ultra-high (∼10{sup 17} G) toroidal field component. Subsequently, by succumbing to the Tayler instability, the toroidal field could be partially transformed into a new poloidal field. Through such dynamo processes, the newly born neutron star with sufficiently rapid rotation could become a magnetar on a timescale of ∼10{sup 2} {sup –} {sup 3} s, with a surface dipolar magnetic field of ∼10{sup 15} G. Accompanying the field amplification, the star could spin down to a period of ∼5 ms through gravitational wave radiation due to the r-mode instability and, in particular, the non-axisymmetric stellar deformation caused by the toroidal field. This scenario provides a possible explanation for why the remnant neutron stars formed in gamma-ray bursts and superluminous supernovae could be millisecond magnetars.

  19. Problems of Newly-Founded Universities and Solution Offers

    Directory of Open Access Journals (Sweden)

    Didem DOĞAN

    2013-01-01

    Full Text Available Many new universities have recently been founded due to economic, social and cultural reasons in our country. These universities face various problems stemming from whether their locations or their organizational structures. Revealing problems experienced within these newly-founded universities and developing possible solutions for these problems are important in in order to increase the service quality provided by higher education which is one of the most important institutions that generate qualified human power. In this study, the problems of the universities founded after 2006 have been put forth with both administrative and academic staffs' view points and solution offers have been developed towards these problems with a common point of view. In this study in which quantitative and qualitative research methods used, is used Scale of Academicians' Problems was applied to 150 academics as the data gathering device. In order to profoundly examine the data acquired by the scale, two administrative personnel were interviewed and a focus-group interview was performed with eight academics. According to the study data, the most important problem of newly-founded universities is the lack of institutionalization. Physical inadequacy and lack of qualified personnel follow this problem. Efficient management and forming an efficient organization structure are among suggested solution offers.

  20. The Export Tax Rates Adjustments on Metals Commodities

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    <正>Approved by China’s State Council, the Ministry of Finance, the General Administration of Taxation and the General Administration of Customs published the newly adjusted export tax rates on the metals commodities, which came into effect on January 1, 2005. These ad-

  1. Electrodialytic Remediation of Heavy Metal Polluted Soil. An Innovative Technique

    DEFF Research Database (Denmark)

    Ottosen, Lisbeth M.; Hansen, Henrik; Karlsmose, Bodil

    1997-01-01

    Electrodialytic remediationof heavy metal polluted soil is a newly developed method which combines the electrokinetic movement of ions in soil with the principle of electrodialysis. The method has prowen to work in laboratorscale and at presnet two types of pilot plants are build....

  2. Methamphetamine use among newly diagnosed HIV-positive young men in North Carolina, United States, from 2000 to 2005.

    Directory of Open Access Journals (Sweden)

    Christopher B Hurt

    Full Text Available BACKGROUND: Methamphetamine (MA is a new arrival to the Southeastern United States (US. Incidence of HIV is also increasing regionally, but data are limited regarding any association between this trend and MA use. We examined behavioral data from North Carolina (NC residents newly diagnosed with HIV, collected by the Department of Health between 2000-2005. PRINCIPAL FINDINGS: Among 1,460 newly diagnosed HIV-positive young men, an increasing trend was seen from 2000-2005 in MA use (p = 0.01, total n = 20. In bivariate analyses, users of MA had significantly greater odds of reporting other substance use, including alcohol, powder or crack cocaine, marijuana, and methylenedioxymethamphetamine (MDMA, "ecstasy". They were also more likely to have reported sexual activity while traveling outside NC; sex with anonymous partners; and previous HIV testing. In a predictive model, MA use had a negative association with nonwhite race, and strong positive associations with powder cocaine, "ecstasy," or intravenous drug use and being a university student. CONCLUSIONS: Similar to trends seen in more urban parts of the US, MA use among newly diagnosed, HIV-positive young men is increasing in NC. These data are among the first to demonstrate this relationship in a region with a burgeoning epidemic of MA use. Opportunities exist for MA-related HIV risk-reduction interventions whenever young men intersect the healthcare system.

  3. Experimental Measurements of Belt Gears in Newly Developed Device

    Directory of Open Access Journals (Sweden)

    Jozef Mascenik

    2016-05-01

    Full Text Available The paper deals with the alternative of determination of state of the belt gear. To realize themeasurements a newly developed device was designed for measurement and diagnostics of the belt gears. The main task is to detect the V-belt slip expressed by the coefficient of elastic creep and of specific slip with a measuring device. The measurements regarding can be performed if input revolutions of the electric motor and torque of the belt gear are constant whereas the tensioning force of the belt gear changes. It is also possible to perform the measurement if the input revolutions of the electric motor and the tensioning forces are constant and the torque changes.

  4. Weight history of patients with newly diagnosed Type 2 diabetes

    DEFF Research Database (Denmark)

    Olivarius, N de Fine; Richelsen, B; Siersma, V

    2008-01-01

    .3 years was 14.7 kg (interquartile range 6.0-23.0). Women gained weight more than men, and the lower the weight at age 20 years, the greater the weight gain. The average weight gain from 10 years prior to diabetes diagnosis until diagnosis, however, was only 1 kg and decreased markedly with age. These 10...... newly diagnosed with diabetes aged > or = 40 years. Patients' weight at diagnosis was measured by the doctor, while patients recalled their weight approximately 1, 5 and 10 years prior to diagnosis and at age 20 years. RESULTS: Median weight gain from age 20 years to diabetes diagnosis at median age 65...... that it is important to advise young patients in particular, especially women, who have gained and sustained considerable weight to curb this upward weight trend in order to prevent the development of diabetes....

  5. Chenodeoxycholic acid reduces intestinal permeability in newly weaned piglets

    DEFF Research Database (Denmark)

    van der Meer, Y; Gerrits, W J J; van den Bosch, M

    2012-01-01

    , peptide YY (PYY), and glucose. Afterwards, piglets were offered the experimental diets ad libitum. On days 3.5, 7.5, and 10.5 after weaning, serum responses to an intragastric dose of lactulose and Co-EDTA were tested at 2 h after dosing in 8 piglets per treatment. Immediately thereafter, piglets were......, and plasma GLP-2 and PYY. Serum cobalt and lactulose at day 10.5 tended to be lower in CDCA pigs compared with control pigs. Serum cobalt and lactulose concentrations were positively correlated (r = 0.67; P ... to newly weaned piglets, implying that CDCA deserves further study as a means for improving intestinal health. The positive correlation found between Co-EDTA and lactulose indicates that both marker molecules measure similar change in permeability....

  6. Hadronic decay properties of newly observed $\\Omega_c$ baryons

    OpenAIRE

    Zhao, Ze; Ye, Dan-Dan; Zhang, Ailin

    2017-01-01

    Hadronic decay widths of the newly observed charmed strange baryons, $\\Omega_c(3000)^0$, $\\Omega_c(3050)^0$, $\\Omega_c(3066)^0$, $\\Omega_c(3090)^0$ and $\\Omega_c(3119)^0$ have been calculated in a $^3P_0$ model. Our results indicate that $\\Omega_c(3066)^0$ and $\\Omega_c(3090)^0$ can be interpreted as the $1P-$wave $\\Omega_{c2}(\\frac{3}{2}^-)$ or $\\Omega_{c2}(\\frac{5}{2}^-)$. Though the measured masses of $\\Omega_c(3000)^0$, $\\Omega_c(3050)^0$ and $\\Omega_c(3119)^0$ are lower than existed theo...

  7. Millisecond newly born pulsars as efficient accelerators of electrons

    CERN Document Server

    Osmanov, Z; Machabeli, G; Chkheidze, N

    2015-01-01

    The newly born millisecond pulsars are investigated as possible energy sources for creating ultra-high energy electrons. The transfer of energy from the star rotation to high energy electrons takes place through the Landau damping of centrifugally driven (via a two stream instability) electrostatic Langmuir waves. Generated in the bulk magnetosphere plasma, such waves grow to high amplitudes, and then damp, very effectively, on relativistic electrons driving them to even higher energies. We show that the rate of transfer of energy is so efficient that no energy losses might affect the mechanism of particle acceleration; the electrons might achieve energies of the order of 10^{18}eV for parameters characteristic of a young star.

  8. Illness-behaviour, attitude, and knowledge in newly diagnosed diabetics

    DEFF Research Database (Denmark)

    Holstein, B E; Vesterdal Jørgensen, H; Sestoft, L

    1986-01-01

    Sixty-five consecutive patients with newly diagnosed type I diabetes, aged 15-52, were exposed to a systematic educational programme and followed up by three-monthly controls for two to four years. In order to identify psychic, social and behavioural factors associated with good metabolic control...... programme was evaluated by the patients as useful and satisfying. Actual illness-related knowledge, skills and compliance were not closely associated, suggesting that knowledge itself is an insufficient precondition to appropriate management of the illness. Social class and other social environment factors...... were not associated with illness-related behaviour and attitudes and neither was metabolic control. There were no psychological or social differences between the patients with good and those with poor control. A possible interpretation of these findings is that an increase of quality of life...

  9. Open Defecation in Newly Created Kenyan Counties: A Situational Analysis.

    Science.gov (United States)

    Njuguna, John; Muruka, Charles

    2017-01-01

    An estimated 5.6 million Kenyans defecate in the open. This exposes them to sanitation related diseases. This study analysed open defecation trends among the 47 counties in Kenya, newly created in 2013. The study used four data sets on open defecation, unimproved water supply coverage, poverty levels, and population density. Mean open defecation rate across the 47 counties was 23.5% and the median rate 6.9%. The lowest rate was 0.1% and the highest 88.4%. Fifteen counties had open defecation rates of 40% and above. Another 21 counties had open defecation rates of less than 5%. Poverty was the most significant predictor accounting for 68.4% of the variance in open defecation after controlling for unimproved water supply and population density. Some counties have unacceptably high open defecation rates. Alleviating poverty may reduce open defecation in Kenya.

  10. Four newly recorded species of Dryopteridaceae from Kashmir valley, India

    Directory of Open Access Journals (Sweden)

    SHAKOOR AHMAD MIR

    2014-04-01

    Full Text Available Mir SA, Mishra AK, Reshi ZA, Sharma MP. 2014. Four newly recorded species of Dryopteridaceae from Kashmir valley, India. Biodiversitas 15: 6-11. Habitat diversity, elevation, cloud cover, rainfall, seasonal and temperature variations have created many ideal sites for the luxuriant growth of pteridophytes in the Kashmir valley, yet all the regions of the valley have not been surveyed. In Kashmir valley the family Dryopteridaceae is represented by 31 species. During the recent extensive field surveys of Shopian district four more species viz., Dryopteris caroli-hopei Fraser-Jenkins, Dryopteris blanfordii subsp. nigrosquamosa (Ching Fraser-Jenkins, Dryopteris pulvinulifera (Bedd. Kuntze and Polystichum Nepalense (Spreng C. Chr. have been recorded for the first time from the valley. The taxonomic description, synonyms, distribution and photographs of each species are given in this article.

  11. Prediction of internal corrosion of oil and gas pipelines : the Dayalan model

    Energy Technology Data Exchange (ETDEWEB)

    Doiron, A.; Papavinasam, S. [Natural Resources Canada, Ottawa, ON (Canada). CANMET Materials Technology Laboratory

    2009-07-01

    The corrosivity of brines containing carbon dioxide (CO{sub 2}) must be determined when designing oil and gas pipelines. This paper presented a newly developed computational procedure and a computer program for predicting corrosion rates of carbon steel pipelines carrying CO{sub 2}-containing flowing fluids in oil and gas field conditions. The computational procedure is based on a mechanistic model for CO{sub 2} corrosion. The model is based on the current knowledge of the CO{sub 2} corrosion mechanism and the kinetics of electrochemical reactions, chemical equilibrium reactions, and mass transfer. Initially the model was developed for predicting uniform CO{sub 2} corrosion rates in the absence of scale on the metal surface. A mechanistic model for scale formation was then developed to extend the model to conditions where FeCO{sub 3} layer formation occurs. The 3 species that undergo reduction on the metal surface and contribute to corrosion are hydrogen ions, H{sub 2}CO{sub 3} ions and HCO{sub 3} ions. The iron dissolution reaction is the corresponding anodic reaction. The general corrosion process involves 4 major steps, notably dissolution of CO{sub 2} in the aqueous solution to form the various reactive species which take part in the CO{sub 2} corrosion reaction; transportation of these reactants to the surface of the metal; cathodic and anodic electrochemical reactions taking place at the metal surface; and transportation of the products of the corrosion reaction to the bulk of the solution. The overall rate of the corrosion process depends on the rate at which each of these individual steps take place under a given set of conditions. 2 refs., 2 tabs., 2 figs.

  12. Mental efficacy and physical efficacy at the team level: inputs and outcomes among newly formed action teams.

    Science.gov (United States)

    Hirschfeld, Robert R; Bernerth, Jeremy B

    2008-11-01

    The authors demarcated mental efficacy and physical efficacy at the team level, and they explored these 2 factors as outcomes of 4 potential inputs and as predictors of 3 outcomes among 110 newly formed action teams in a military setting. Both types of team efficacy benefited from greater team size and an initial experience of enactive mastery, but they were not influenced by teams' female representation or knowledge pool. In terms of predictive contributions, both mental and physical efficacy facilitated internal social cohesion, yet only mental efficacy promoted problem solving and observed teamwork effectiveness.

  13. Subclassification of newly diagnosed glioblastomas through an immunohistochemical approach.

    Directory of Open Access Journals (Sweden)

    Siobhan Conroy

    Full Text Available Molecular signatures in Glioblastoma (GBM have been described that correlate with clinical outcome and response to therapy. The Proneural (PN and Mesenchymal (MES signatures have been identified most consistently, but others including Classical (CLAS have also been reported. The molecular signatures have been detected by array techniques at RNA and DNA level, but these methods are costly and cannot take into account individual contributions of different cells within a tumor. Therefore, the aim of this study was to investigate whether subclasses of newly diagnosed GBMs could be assessed and assigned by application of standard pathology laboratory procedures. 123 newly diagnosed GBMs were analyzed for the tumor cell expression of 23 pre-identified proteins and EGFR amplification, together allowing for the subclassification of 65% of the tumors. Immunohistochemistry (IHC-based profiling was found to be analogous to transcription-based profiling using a 9-gene transcriptional signature for PN and MES subclasses. Based on these data a novel, minimal IHC-based scheme for subclass assignment for GBMs is proposed. Positive staining for IDH1R132H can be used for PN subclass assignment, high EGFR expression for the CLAS subtype and a combined high expression of PTEN, VIM and/or YKL40 for the MES subclass. The application of the proposed scheme was evaluated in an independent tumor set, which resulted in similar subclass assignment rates as those observed in the training set. The IHC-based subclassification scheme proposed in this study therefore could provide very useful in future studies for stratification of individual patient samples.

  14. Sulfasalazine and temozolomide with radiation therapy for newly diagnosed glioblastoma

    Directory of Open Access Journals (Sweden)

    Satoru Takeuchi

    2014-01-01

    Full Text Available Background: A recent phase 1/2 clinical trial argued for caution for the use of sulfasalazine in progressive glioblastoma (GBM. However, the study enrolled patients with recurrent or progressive high-grade glioma indicating that patients recruited probably had severe disease. Thus, the study may not accurately reflect the effectiveness of sulfasalazine for GBM and we hypothesized that earlier sulfasalazine administration may lead to anticancer effects. Aim: The aim of this study was to investigate whether sulfasalazine can improve the outcomes of patients with newly diagnosed GBM. Subjects and Methods: A total of 12 patients were treated with temozolomide and sulfasalazine with radiation therapy after surgery. Twelve patients with primary GBM treated with temozolomide and radiation therapy formed the control group. Progression-free survival (PFS, overall survival (OS and seizure-free survival (SFS curves were obtained using the Kaplan-Meier method. The survival curves were compared using the log-rank test. Results: The median OS, PFS and SFS did not differ between the groups. Grade 3 or 4 adverse events occurred over the duration of the study in nine (75% patients. The median SFS was 12 months in nine patients who received sulfasalazine administration for more than 21 days, which was strongly but not significantly longer than the 3 months observed in the control group (P = 0.078. Conclusions: Sulfasalazine treatment with temozolomide plus radiotherapy for newly diagnosed primary GBM is associated with a high rate of discontinuation due to hematologic toxic effects. This treatment may have no effect on OS or PFS, although it may improve seizure control if an adequate dose can be administered.

  15. [The newly certified 105 Japanese medical technologists in clinical microbiology].

    Science.gov (United States)

    Kumasaka, Kazunari

    2002-05-01

    Interest in quality assurance(QA) in clinical laboratories in Japan has increased over the past 30 years. We have however been lagging behind countries such as the USA, Canada and the UK in QA of clinical microbiology. The main problem of QA in Japan is human resources. There are only about 400 laboratory physicians certified by the Japanese Society of Laboratory Medicine(JSLM). Almost no academics in microbiology are interested in QA and they mostly lack clinical competence. There is a small number of faculty positions, and promotions are mostly based on research productivity while medical graduates are increasingly drawn to bench work for basic, short-term research. The Japanese Society for Clinical Microbiology (JSCM) was established in 1990 in order to promote the development of clinical microbiology and its relevant fields in Japan. And 2001 was a milestone in sustained efforts of the JSLM to initiate qualifying examinations of medical technologists(MT) in clinical microbiology. 105 MT in clinical microbiology were newly certified by the Joint Committee of JSCM, JSLM, Japanese Association of Medical Technologists (JAMT) and College of Clinical Pathology of Japan(CCPJ). The certified MTs have appropriate educational background and are well motivated. With good on-the-job training, they are expected to perform effectively various tasks, including laboratory management. Recent radical changes in the health care delivery system have also had serious implications on laboratory services and QA of microbiological tests. The primary goal of the clinical microbiology laboratory is to provide accurate diagnostic testing and high-quality service at a low cost for its customers. It is believed that the Joint Committee and the newly certified MTs will contribute to narrowing the gap between Japan and other countries in clinical microbiology.

  16. Vibro-acoustic performance of newly designed tram track structures

    Science.gov (United States)

    Haladin, Ivo; Lakušić, Stjepan; Ahac, Maja

    2017-09-01

    Rail vehicles in interaction with a railway structure induce vibrations that are propagating to surrounding structures and cause noise disturbance in the surrounding areas. Since tram tracks in urban areas often share the running surface with road vehicles one of top priorities is to achieve low maintenance and long lasting structure. Research conducted in scope of this paper gives an overview of newly designed tram track structures designated for use on Zagreb tram network and their performance in terms of noise and vibration mitigation. Research has been conducted on a 150 m long test section consisted of three tram track types: standard tram track structure commonly used on tram lines in Zagreb, optimized tram structure for better noise and vibration mitigation and a slab track with double sleepers embedded in a concrete slab, which presents an entirely new approach of tram track construction in Zagreb. Track has been instrumented with acceleration sensors, strain gauges and revision shafts for inspection. Relative deformations give an insight into track structure dynamic load distribution through the exploitation period. Further the paper describes vibro-acoustic measurements conducted at the test site. To evaluate the track performance from the vibro-acoustical standpoint, detailed analysis of track decay rate has been analysed. Opposed to measurement technique using impact hammer for track decay rate measurements, newly developed measuring technique using vehicle pass by vibrations as a source of excitation has been proposed and analysed. Paper gives overview of the method, it’s benefits compared to standard method of track decay rate measurements and method evaluation based on noise measurements of the vehicle pass by.

  17. Serum irisin levels and thyroid function--newly discovered association.

    Science.gov (United States)

    Ruchala, Marek; Zybek, Ariadna; Szczepanek-Parulska, Ewelina

    2014-10-01

    Irisin is a newly discovered adipo-myokin, which is reported to have a significant influence on the body metabolism and thermogenesis. Other influencing factors on metabolic state are thyroid hormones, which increase heat production and control the energy balance. Due to numerous similarities in action it seems imperative to explore these substances' potential mutual influence on the body. The aim of the study is to provide the first ever, according to our knowledge, evaluation of serum irisin concentrations in patients with thyroid dysfunction and its correlation with creatine kinase (CK) levels - a serum marker of muscle damage. The studied group consisted of 20 patients with newly diagnosed thyroid disorder - hyperthyroidism or hypothyroidism. Venous blood samples were analyzed for irisin, thyrotropin (TSH), free thyroxine (FT4), free triiodothyronine (FT3) and CK serum concentrations. Patients' body mass index (BMI), body weight and muscle mass were evaluated using bioelectrical impedance analysis (BIA). Median serum irisin levels were lower in hypothyroid (117.30ng/ml) than hyperthyroid (161.95ng/ml) patients with a borderline statistical significance (p=0.0726). The negative correlation between irisin and TSH levels was demonstrated (r=-0.4924, p=0.0230), as well as the positive correlation between irisin and FT4 levels (r=0.4833, p=0.0360). The CK level was negatively correlated with irisin, FT4 and FT3 concentrations (r=-0.7272, p=0.0140; r=-0.9636, p=<0.0001; r=-0.8838, p=0.0007, respectively). The study demonstrates that irisin concentrations may vary according to the thyrometabolic state, which potentially could be related to the degree of muscle damage.

  18. METAL-POOR STARS OBSERVED WITH THE MAGELLAN TELESCOPE. I. CONSTRAINTS ON PROGENITOR MASS AND METALLICITY OF AGB STARS UNDERGOING s-PROCESS NUCLEOSYNTHESIS

    Energy Technology Data Exchange (ETDEWEB)

    Placco, Vinicius M.; Rossi, Silvia [Departamento de Astronomia-Instituto de Astronomia, Geofisica e Ciencias Atmosfericas, Universidade de Sao Paulo, Sao Paulo, SP 05508-900 (Brazil); Frebel, Anna [Massachusetts Institute of Technology and Kavli Institute for Astrophysics and Space Research, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Beers, Timothy C. [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Karakas, Amanda I.; Kennedy, Catherine R. [Research School of Astronomy and Astrophysics, The Australian National University, Cotter Road, Weston, ACT 2611 (Australia); Christlieb, Norbert [Zentrum fuer Astronomie der Universitaet Heidelberg, Landessternwarte, Koenigstuhl 12, D-69117 Heidelberg (Germany); Stancliffe, Richard J. [Argelander-Institut fuer Astronomie der Universitaet Bonn, Auf dem Huegel 71, D-53121 Bonn (Germany)

    2013-06-20

    We present a comprehensive abundance analysis of two newly discovered carbon-enhanced metal-poor (CEMP) stars. HE 2138-3336 is a s-process-rich star with [Fe/H] = -2.79, and has the highest [Pb/Fe] abundance ratio measured thus far, if non-local thermodynamic equilibrium corrections are included ([Pb/Fe] = +3.84). HE 2258-6358, with [Fe/H] = -2.67, exhibits enrichments in both s- and r-process elements. These stars were selected from a sample of candidate metal-poor stars from the Hamburg/ESO objective-prism survey, and followed up with medium-resolution (R {approx} 2000) spectroscopy with GEMINI/GMOS. We report here on derived abundances (or limits) for a total of 34 elements in each star, based on high-resolution (R {approx} 30, 000) spectroscopy obtained with Magellan-Clay/MIKE. Our results are compared to predictions from new theoretical asymptotic giant branch (AGB) nucleosynthesis models of 1.3 M{sub Sun} with [Fe/H] = -2.5 and -2.8, as well as to a set of AGB models of 1.0 to 6.0 M{sub Sun} at [Fe/H] = -2.3. The agreement with the model predictions suggests that the neutron-capture material in HE 2138-3336 originated from mass transfer from a binary companion star that previously went through the AGB phase, whereas for HE 2258-6358, an additional process has to be taken into account to explain its abundance pattern. We find that a narrow range of progenitor masses (1.0 {<=} M(M{sub Sun }) {<=} 1.3) and metallicities (-2.8 {<=} [Fe/H] {<=}-2.5) yield the best agreement with our observed elemental abundance patterns.

  19. Half metallic ferromagnets.

    Science.gov (United States)

    Dowben, Peter

    2007-08-01

    Since its introduction by de Groot and colleagues in the early 1980s [1], the concept of half metallic ferromagnetism has attracted great interest. Idealized, half-metals have only one spin channel for conduction: the spin-polarized band structure exhibits metallic behavior for one spin channel, while the other spin band structure exhibits a gap at the Fermi level. Due to the gap for one spin direction, the density of states at the Fermi level has, theoretically, 100 & spin polarization. This gap in the density of states in one spin at the Fermi level, for example ↓ so N(↓) (E(F)) = 0, also causes the resistance of that channel to go to infinity. At zero or low temperatures, the nonquasiparticle density of states (electron correlation effects), magnons and spin disorder reduce the polarization from the idealized 100 & polarization. At higher temperatures magnon-phonon coupling and irreversible compositional changes affect polarization further. Strategies for assessing and reducing the effects of finite temperatures on the polarization are now gaining attention. The controversies surrounding the polarization stability of half metallic ferromagnets are not, however, limited to the consideration of finite temperature effects alone. While many novel half metallic materials have been predicted, materials fabrication can be challenging. Defects, surface and interface segregation, and structural stability can lead to profound decreases in polarization, but can also suppress long period magnons. There is a 'delicate balance of energies required to obtain half metallic behaviour: to avoid spin flip scattering, tiny adjustments in atomic positions might occur so that a gap opens up in the other spin channel' [2]. When considering 'spintronics' devices, a common alibi for the study of half metallic systems, surfaces and interfaces become important. Free enthalpy differences between the surface and the bulk will lead to spin minority surface and interface states, as well

  20. PREFACE: Half Metallic Ferromagnets

    Science.gov (United States)

    Dowben, Peter

    2007-08-01

    Since its introduction by de Groot and colleagues in the early 1980s [1], the concept of half metallic ferromagnetism has attracted great interest. Idealized, half-metals have only one spin channel for conduction: the spin-polarized band structure exhibits metallic behavior for one spin channel, while the other spin band structure exhibits a gap at the Fermi level. Due to the gap for one spin direction, the density of states at the Fermi level has, theoretically, 100 & spin polarization. This gap in the density of states in one spin at the Fermi level, for example ↓ so N↓ (EF) = 0, also causes the resistance of that channel to go to infinity. At zero or low temperatures, the nonquasiparticle density of states (electron correlation effects), magnons and spin disorder reduce the polarization from the idealized 100 & polarization. At higher temperatures magnon-phonon coupling and irreversible compositional changes affect polarization further. Strategies for assessing and reducing the effects of finite temperatures on the polarization are now gaining attention. The controversies surrounding the polarization stability of half metallic ferromagnets are not, however, limited to the consideration of finite temperature effects alone. While many novel half metallic materials have been predicted, materials fabrication can be challenging. Defects, surface and interface segregation, and structural stability can lead to profound decreases in polarization, but can also suppress long period magnons. There is a 'delicate balance of energies required to obtain half metallic behaviour: to avoid spin flip scattering, tiny adjustments in atomic positions might occur so that a gap opens up in the other spin channel' [2]. When considering 'spintronics' devices, a common alibi for the study of half metallic systems, surfaces and interfaces become important. Free enthalpy differences between the surface and the bulk will lead to spin minority surface and interface states, as well as

  1. Investigation of newly developed added damping and stiffness device with low yield strength steel

    Institute of Scientific and Technical Information of China (English)

    SHIH Ming-hsiang; SUNG Wen-pei; GO Cheer-germ

    2004-01-01

    Energy dissipators, isolated-resistant and specific structural forms for earthquake resistance are popular topics in the research to improve shock-resistance. In this work, experimental methods were used to investigate the property of low yield strength steel. Carbon content in LYS material is lower than that in other steels; the ultimate stress is three times the yield stress. The ultimate elongation rate is about 62% and the ductility is 2?3 times that of A36 steel. In order to overcome some defects of ordinary use metallic dampers, the mechanical characteristic of low yield strength steel is used to develop added damping and stiffness for rhombic steel plate absorber. Test of the energy dissipation behavior for this newly developed device indicated that LYS could stably dissipate or absorb the input energy of earthquake. Then, the analytical model for the hysteretic behavior of this new device is proposed. Comparison of experimental data and numerical simulation results showed that this analytical model is suitable for simulating the hysteretic energy behavior of this new device.

  2. Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea

    Science.gov (United States)

    Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V. K.; Singh, Bachcha; Singh, Ranjan K.

    2016-02-01

    Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations.

  3. A newly designed ultrasonic spray pyrolysis device to fabricate YBCO tapes

    Science.gov (United States)

    Liu, M.; Zhou, M. L.; Zhai, L. H.; Liu, D. M.; Gao, X.; Liu, W.

    2003-04-01

    A newly designed ultrasonic spray pyrolysis device has been manufactured to fabricate YBCO tapes. The apparatus is primarily composed of four zones: the ultrasonic generator, the atomization chamber, the pyrolysis chamber and the rotating equipment. Every part of them is designed and fabricated by us. The whole system costs far less than the ready-made equipment facility in which there is always a vacuum apparatus. This apparatus with processing parameters accurately controlled can fabricate short and long YBCO tapes. In this paper, we mainly focused on how to design and manufacture four parts of the ultrasonic spray pyrolysis. We have deposited c-axis aligned short YBCO tapes on biaxially textured Ag {1 1 0} substrates with Jc=10 3 A/cm 2 using this method with our device. The method is very promising in terms of its precise control of metal compositions, high deposition rate and low cost non-vacuum approach. Improvements of this technique are being carried out to fabricate long YBCO tapes.

  4. Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea.

    Science.gov (United States)

    Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V K; Singh, Bachcha; Singh, Ranjan K

    2016-02-05

    Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations.

  5. Cold Cracking Sensitivity of a Newly Developed 9Cr2WVTa Steel

    Science.gov (United States)

    Wang, Jian; Lu, Shanping; Li, Yongkui; Hu, Qingxian; Rong, Lijian; Li, Dianzhong

    2016-11-01

    Cold cracking susceptibility of the newly developed 9Cr2WVTa steel plate welded with the corresponding gas tungsten arc welding wire has been evaluated using the implant test and the Y-groove cracking test. Measurement of diffusible hydrogen content shows that the welding wire is ultra-low welding consumables (0.40 mL/100 g). Results of the implant test show that the fracture critical stress without pre-heating is only 300 MPa and increases up to the yield strength with pre-heating to 150 °C. The fracture critical stress under high heat input decreases to 250 MPa owing to the formation of quenched microstructure. Fractographies show ductile dimple fracture under higher loads and quasi-cleavage fracture under lower loads. Results of Y-groove cracking tests show that the minimum pre-heating temperature is 150 °C and the maximum transverse residual stress is located at the root of the weld metal. Therefore, the heat input should be chosen in a proper range and the pre-heating temperature is no less than 150 °C.

  6. Conventional and improved cytotoxicity test methods of newly developed biodegradable magnesium alloys

    Science.gov (United States)

    Han, Hyung-Seop; Kim, Hee-Kyoung; Kim, Yu-Chan; Seok, Hyun-Kwang; Kim, Young-Yul

    2015-11-01

    Unique biodegradable property of magnesium has spawned countless studies to develop ideal biodegradable orthopedic implant materials in the last decade. However, due to the rapid pH change and extensive amount of hydrogen gas generated during biocorrosion, it is extremely difficult to determine the accurate cytotoxicity of newly developed magnesium alloys using the existing methods. Herein, we report a new method to accurately determine the cytotoxicity of magnesium alloys with varying corrosion rate while taking in-vivo condition into the consideration. For conventional method, extract quantities of each metal ion were determined using ICP-MS and the result showed that the cytotoxicity due to pH change caused by corrosion affected the cell viability rather than the intrinsic cytotoxicity of magnesium alloy. In physiological environment, pH is regulated and adjusted within normal pH (˜7.4) range by homeostasis. Two new methods using pH buffered extracts were proposed and performed to show that environmental buffering effect of pH, dilution of the extract, and the regulation of eluate surface area must be taken into consideration for accurate cytotoxicity measurement of biodegradable magnesium alloys.

  7. Variable stars in the newly discovered Milky Way satellite in Bootes

    CERN Document Server

    Dall'Ora, M; Kinemuchi, K; Ripepi, V; Marconi, M; Fabrizio, L D; Greco, C; Rodgers, C T; Kuehn, C; Smith, H A

    2006-01-01

    We present $V,I$ light curves for 12 variable stars identified in the newly discovered satellite of the Milky Way in the Bootes constellation (Belokurov et al. 2006).Our sample includes 11 RR Lyrae stars (5 first overtone, 5 fundamental mode and 1 double mode pulsator),and one long period variable close to the galaxy red giant branch tip. The RR Lyrae stars trace very well the average $V$ luminosity of the galaxy horizontal branch, leading to a true distance modulus for the galaxy of $\\mu_0$=19.11 $\\pm$ 0.08 mag for an assumed metal abundance of [Fe/H]=-2.5 (Monoz et al. 2006), and for $E(B-V)$=0.02 mag. Average periods are =0.69 d and =0.37 d for {\\it ab-} and {\\it c-} type RR Lyrae stars, respectively, making of Bootes the second pure Oosterhoff type II (OoII) dSph after Ursa Minor. The location of the double mode RR Lyrae (RRd) in the Petersen diagram is consistent with RRd stars in OoII clusters, and corresponds to an intrinsic luminosity of $log L/logL\\odot$=1.72 (for Z=10$^{-4}$ and M=0.80 M$\\odot$) acc...

  8. Cold Cracking Sensitivity of a Newly Developed 9Cr2WVTa Steel

    Science.gov (United States)

    Wang, Jian; Lu, Shanping; Li, Yongkui; Hu, Qingxian; Rong, Lijian; Li, Dianzhong

    2017-01-01

    Cold cracking susceptibility of the newly developed 9Cr2WVTa steel plate welded with the corresponding gas tungsten arc welding wire has been evaluated using the implant test and the Y-groove cracking test. Measurement of diffusible hydrogen content shows that the welding wire is ultra-low welding consumables (0.40 mL/100 g). Results of the implant test show that the fracture critical stress without pre-heating is only 300 MPa and increases up to the yield strength with pre-heating to 150 °C. The fracture critical stress under high heat input decreases to 250 MPa owing to the formation of quenched microstructure. Fractographies show ductile dimple fracture under higher loads and quasi-cleavage fracture under lower loads. Results of Y-groove cracking tests show that the minimum pre-heating temperature is 150 °C and the maximum transverse residual stress is located at the root of the weld metal. Therefore, the heat input should be chosen in a proper range and the pre-heating temperature is no less than 150 °C.

  9. Leachability of heavy metals from solidified sludge

    Institute of Scientific and Technical Information of China (English)

    ZHANG HuYuan; WANG Bao; DONG XingLing; FENG Lei; FAN ZhiMing

    2009-01-01

    Solidified sludge undergoes progressive depletion of the alkalinity materials under natural weathering condition and releases out of heavy metals. The leaching of heavy metals from solidified sewage sludge was studied by acid neutralization capacity (ANC) test and flow-through leaching test. The results of ANC test showed that heavy metals release at high concentration when the pH of extract lowers than 6. The disintegration of solidified sludge and the transformation of heavy metals are the main reasons for the resolubilisation of contaminants. Flow-through leaching test indicated that leaching of heavy metals from solidified sludge occurs in a slow way. A mathematical model has been developed to predict the stabilization time of heavy metals in solidified sludge. The research results showed that decreasing hydraulic conductivity is more important than cement addition for controlling the release of heavy metals from solidified sludge.

  10. Reactivity of metals for marine phytoplankton

    Energy Technology Data Exchange (ETDEWEB)

    Fisher, N.S.

    1986-03-01

    The concentration of metals by marine phytoplankton, assessed for diverse species in laboratory culture experiments with radiotracer methodology and taken together with literature values for other metals, was analyzed in light of geochemical models describing particle surface chemistry. Concentration factors vary among the metals from approx. ordered 0 to approx. ordered 10/sup 6/. Regression analyses show that, at equilibrium, the logs of the concentration factors are exponentially related to solubility products of metal hydroxides and to cytotoxicity and are linearly related to the log of the mean oceanic residence times (years) of the metals. It would appear that concentration factors and toxicity of metals in marine phytoplankton and oceanic residence times of metals can be predicted to within an order of magnitude from the chemical literature.

  11. Mixing Metals in the Early Universe

    CERN Document Server

    Ferrara, A; Shchekinov, Yu A; Ferrara, Andrea; Pettini, Max; Shchekinov, Yuri

    2000-01-01

    We investigate the evolution of the metallicity of the intergalactic medium (IGM) with particular emphasis on its spatial distribution. We propose that metal enrichment occurs as a two step process. First, supernova (SN) explosions eject metals into relatively small regions confined to the surroundings of star-forming galaxies. From a comprehensive treatment of blowout we show that SNae by themselves fail by more than one order of magnitude to distribute the products of stellar nucleosynthesis over volumes large enough to pollute the whole IGM to the metallicity levels observed. Thus, a additional (but as yet unknown) physical mechanism must be invoked to mix the metals on scales comparable to the mean distance between the galaxies which are most efficient pollutants. From this simple hypothesis we derive a number of testable predictions for the evolution of the IGM metallicity. Specifically, we find that: (i) the fraction of metals ejected over the star formation history of the universe is about 50% at z=0; ...

  12. Optimization of metal vapor lasers

    Science.gov (United States)

    Buchanov, V. V.; Molodykh, E. I.; Tykotskii, V. V.

    1983-03-01

    The method proposed here for performing numerical calculations on a computer in order to predict and optimize the characteristics of metal vapor lasers is based on the use of a universal program for numerical experiments designed expressly for metal vapor lasers and on a simultaneous application of an algorithm for multifactor optimization of the output parameters. The latter, in turn, is based on the complex Boks method (Himmelblau, 1970) and on the Gel'fand-Tsetlin ravine method (Himmelblau, 1970). Calculations carried out for a metal with a copper vapor in neon reveal that for optimization with respect to the geometry of the active zone and the parameters of the electrical circuits (including the voltage pulses and excitation frequency) it is sufficient to use the Boks method. The objective function optimum regarding the concentration of the metal particles and the buffer gas found using this algorithm calls for further refinement; this can be performed efficiently with the Gel'fand-Tsetlin ravine method.

  13. Transition metal contacts to graphene

    Energy Technology Data Exchange (ETDEWEB)

    Politou, Maria, E-mail: Maria.Politou@imec.be; De Gendt, Stefan; Heyns, Marc [KU Leuven, 3001 Leuven (Belgium); imec, Kapeldreef 75, 3001 Leuven (Belgium); Asselberghs, Inge; Radu, Iuliana; Conard, Thierry; Richard, Olivier; Martens, Koen; Huyghebaert, Cedric; Tokei, Zsolt [imec, Kapeldreef 75, 3001 Leuven (Belgium); Lee, Chang Seung [SAIT, Samsung Electronics Co., Suwon 443-803 (Korea, Republic of); Sayan, Safak [imec, Kapeldreef 75, 3001 Leuven (Belgium); Intel Corporation, 2200 Mission College Blvd, Santa Clara, California 95054 (United States)

    2015-10-12

    Achieving low resistance contacts to graphene is a common concern for graphene device performance and hybrid graphene/metal interconnects. In this work, we have used the circular Transfer Length Method (cTLM) to electrically characterize Ag, Au, Ni, Ti, and Pd as contact metals to graphene. The consistency of the obtained results was verified with the characterization of up to 72 cTLM structures per metal. Within our study, the noble metals Au, Ag and Pd, which form a weaker bond with graphene, are shown to result in lower contact resistance (Rc) values compared to the more reactive Ni and Ti. X-ray Photo Electron Spectroscopy and Transmission Electron Microscopy characterization for the latter have shown the formation of Ti and Ni carbides. Graphene/Pd contacts show a distinct intermediate behavior. The weak carbide formation signature and the low Rc values measured agree with theoretical predictions of an intermediate state of weak chemisorption of Pd on graphene.

  14. Muscle Attenuation Is Associated With Newly Developed Hypertension in Men of African Ancestry.

    Science.gov (United States)

    Zhao, Qian; Zmuda, Joseph M; Kuipers, Allison L; Bunker, Clareann H; Patrick, Alan L; Youk, Ada O; Miljkovic, Iva

    2017-05-01

    Increased ectopic adipose tissue infiltration in skeletal muscle is associated with insulin resistance and diabetes mellitus. We evaluated whether change in skeletal muscle adiposity predicts subsequent development of hypertension in men of African ancestry, a population sample understudied in previous studies. In the Tobago Health Study, a prospective longitudinal study among men of African ancestry (age range 40-91 years), calf intermuscular adipose tissue, and skeletal muscle attenuation were measured with computed tomography. Hypertension was defined as a systolic blood pressure ≥140 mm Hg, or a diastolic blood pressure ≥90 mm Hg, or receiving antihypertensive medications. Logistic regression was performed with adjustment for age, insulin resistance, baseline and 6-year change in body mass index, baseline and 6-year change in waist circumference, and other potential confounding factors. Among 746 normotensive men at baseline, 321 (43%) developed hypertension during the mean 6.2 years of follow-up. Decreased skeletal muscle attenuation was associated with newly developed hypertension after adjustment for baseline and 6-year change of body mass index (odds ratio [95% confidence interval] per SD, 1.3 [1.0-1.6]) or baseline and 6-year change of waist circumference (odds ratio [95% confidence interval] per SD, 1.3 [1.0-1.6]). No association was observed between increased intermuscular adipose tissue and hypertension. Our novel findings show that decreased muscle attenuation is associated with newly developed hypertension among men of African ancestry, independent of general and central adiposity and insulin resistance. Further studies are needed to adjust for inflammation, visceral and other ectopic adipose tissue depots, and to confirm our findings in other population samples. © 2017 American Heart Association, Inc.

  15. Statistical approaches to use a model organism for regulatory sequences annotation of newly sequenced species.

    Directory of Open Access Journals (Sweden)

    Pietro Liò

    Full Text Available A major goal of bioinformatics is the characterization of transcription factors and the transcriptional programs they regulate. Given the speed of genome sequencing, we would like to quickly annotate regulatory sequences in newly-sequenced genomes. In such cases, it would be helpful to predict sequence motifs by using experimental data from closely related model organism. Here we present a general algorithm that allow to identify transcription factor binding sites in one newly sequenced species by performing Bayesian regression on the annotated species. First we set the rationale of our method by applying it within the same species, then we extend it to use data available in closely related species. Finally, we generalise the method to handle the case when a certain number of experiments, from several species close to the species on which to make inference, are available. In order to show the performance of the method, we analyse three functionally related networks in the Ascomycota. Two gene network case studies are related to the G2/M phase of the Ascomycota cell cycle; the third is related to morphogenesis. We also compared the method with MatrixReduce and discuss other types of validation and tests. The first network is well known and provides a biological validation test of the method. The two cell cycle case studies, where the gene network size is conserved, demonstrate an effective utility in annotating new species sequences using all the available replicas from model species. The third case, where the gene network size varies among species, shows that the combination of information is less powerful but is still informative. Our methodology is quite general and could be extended to integrate other high-throughput data from model organisms.

  16. Galaxy counterparts of metal-rich damped Lyα absorbers - I. The case of the z= 2.35 DLA towards Q 2222−0946

    NARCIS (Netherlands)

    Fynbo, J.P.U.; Laursen, P.; Ledoux, C.; Møller, P.; Durgapal, A.K.; Goldoni, P.; Gullberg, B.; Kaper, L.; Maund, J.; Noterdaeme, P.; Östlin, G.; Strandet, M.L.; Toft, S.; Vreeswijk, P.M.; Zafar, T.

    2010-01-01

    We have initiated a survey using the newly commissioned X-shooter spectrograph to target candidate relatively metal-rich damped Lyα absorbers (DLAs). Our rationale is that high-metallicity DLAs due to the luminosity-metallicity relation likely will have the most luminous galaxy counterparts. In

  17. Current Situation of Heavy Metal Pollution in Farmland Soil and Phytoremediation Application

    Institute of Scientific and Technical Information of China (English)

    Yanfei HUANG; Guifen CHEN; Liumei XIONG; Yuyi HUANG

    2016-01-01

    Phytoremediation technology is a newly-developed way of soil heavy metal pollution repair with high efficiency and good ecological comprehensive benefit. This paper briefly introduces the soil heavy metal pollution status at home and abroad,and focuses on the analysis of harm,sources and current situation of soil heavy metal pollution at home and abroad as well as mechanism and application of phytoremediation.Finally it discusses the key problems in phytoremediation technology that need to resolve in the future.

  18. Ultra low-loss, isotropic 2D optical negative-index metamaterial based on hybrid metal-semiconductor nanowires

    CERN Document Server

    Paniagua-Dominguez, R; Sanchez-Gil, J A

    2012-01-01

    In the past few years, many of the fascinating and previously almost unconceivable properties predicted for those novel, artificial, man-made materials, so called metamaterials, were demonstrated to be not only a tangible reality, but a very useful one. However, plenty of the best achievements in that newly discovered field are far from having a direct translation to the, in many aspects more interesting, high frequency range, without being burdened not only by technological difficulties, but also conceptual ones. Of particular importance within the realm of optical metamaterials having a negative index of refraction, often designated negative-index metamaterials (NIM), is the issue of simultaneously achieving a strong response of the system and low associated losses. In the present work, we demonstrate the possibility to use hybrid metal-semiconductor nanowires to obtain an isotropic optical NIM, with very strong electric and magnetic responses, which exhibits extremely low losses (about two orders of magnit...

  19. Prolonged Temozolomide Maintenance Therapy in Newly Diagnosed Glioblastoma.

    Science.gov (United States)

    Skardelly, Marco; Dangel, Elena; Gohde, Julia; Noell, Susan; Behling, Felix; Lepski, Guilherme; Borchers, Christian; Koch, Marilin; Schittenhelm, Jens; Bisdas, Sotirios; Naumann, Aline; Paulsen, Frank; Zips, Daniel; von Hehn, Ulrike; Ritz, Rainer; Tatagiba, Marcos Soares; Tabatabai, Ghazaleh

    2017-05-01

    The impact of prolonging temozolomide (TMZ) maintenance beyond six cycles in newly diagnosed glioblastoma (GBM) remains a topic of discussion. We investigated the effects of prolonged TMZ maintenance on progression-free survival (PFS) and overall survival (OS). In this retrospective single-center cohort study, we included patients with GBM who were treated with radiation therapy with concomitant and adjuvant TMZ. For analysis, patients were considered who either completed six TMZ maintenance cycles (group B), continued with TMZ therapy beyond six cycles (group C), or stopped TMZ maintenance therapy within the first six cycles (group A). Patients with progression during the first six TMZ maintenance cycles were excluded. Clinical data from 107 patients were included for Kaplan-Meier analyses and 102 for Cox regressions. Median PFS times were 8.1 months (95% confidence interval [CI] 6.1-12.4) in group A, 13.7 months (95% CI 10.6-17.5) in group B, and 20.9 months (95% CI 15.2-43.5) in group C. At first progression, response rates of TMZ/lomustine rechallenge were 47% in group B and 13% in group C. Median OS times were 12.7 months (95% CI 10.3-16.8) in group A, 25.2 months (95% CI 17.7-55.5) in group B, and 28.6 months (95% CI 24.4-open) in group C. Nevertheless, multivariate Cox regression for patients in group C compared with group B that accounted for imbalances of other risk factors showed no different relative risk (RR) for OS (RR 0.77, p = .46). Our data do not support a general extension of TMZ maintenance therapy beyond six cycles. The Oncologist 2017;22:570-575 IMPLICATIONS FOR PRACTICE: Radiation therapy with concomitant and adjuvant temozolomide (TMZ) maintenance therapy is still the standard of care in patients below the age of 65 years in newly diagnosed glioblastoma. However, in clinical practice, many centers continue TMZ maintenance therapy beyond six cycles. The impact of this continuation is controversial and has not yet been addressed in

  20. Newly qualified teachers' visions of science learning and teaching

    Science.gov (United States)

    Roberts, Deborah L.

    2011-12-01

    This study investigated newly qualified teachers' visions of science learning and teaching. The study also documented their preparation in an elementary science methods course. The research questions were: What educational and professional experiences influenced the instructor's visions of science learning and teaching? What visions of science learning and teaching were promoted in the participants' science methods course? What visions of science learning and teaching did these newly qualified teachers bring with them as they graduated from their teacher preparation program? How did these visions compare with those advocated by reform documents? Data sources included participants' assignments, weekly reflections, and multi-media portfolio finals. Semi-structured interviews provided the emic voice of participants, after graduation but before they had begun to teach. These data were interpreted via a combination of qualitative methodologies. Vignettes described class activities. Assertions supported by excerpts from participants' writings emerged from repeated review of their assignments. A case study of a typical participant characterized weekly reflections and final multi-media portfolio. Four strands of science proficiency articulated in a national reform document provided a framework for interpreting activities, assignments, and interview responses. Prior experiences that influenced design of the methods course included an inquiry-based undergraduate physics course, participation in a reform-based teacher preparation program, undergraduate and graduate inquiry-based science teaching methods courses, participation in a teacher research group, continued connection to the university as a beginning teacher, teaching in diverse Title 1 schools, service as the county and state elementary science specialist, participation in the Carnegie Academy for the Scholarship of Teaching and Learning, service on a National Research Council committee, and experience teaching a

  1. Metal Hydride Compression

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Terry A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Bowman, Robert [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Smith, Barton [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Anovitz, Lawrence [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jensen, Craig [Hawaii Hydrogen Carriers LLC, Honolulu, HI (United States)

    2017-07-01

    Conventional hydrogen compressors often contribute over half of the cost of hydrogen stations, have poor reliability, and have insufficient flow rates for a mature FCEV market. Fatigue associated with their moving parts including cracking of diaphragms and failure of seal leads to failure in conventional compressors, which is exacerbated by the repeated starts and stops expected at fueling stations. Furthermore, the conventional lubrication of these compressors with oil is generally unacceptable at fueling stations due to potential fuel contamination. Metal hydride (MH) technology offers a very good alternative to both conventional (mechanical) and newly developed (electrochemical, ionic liquid pistons) methods of hydrogen compression. Advantages of MH compression include simplicity in design and operation, absence of moving parts, compactness, safety and reliability, and the possibility to utilize waste industrial heat to power the compressor. Beyond conventional H2 supplies of pipelines or tanker trucks, another attractive scenario is the on-site generating, pressuring and delivering pure H2 at pressure (≥ 875 bar) for refueling vehicles at electrolysis, wind, or solar generating production facilities in distributed locations that are too remote or widely distributed for cost effective bulk transport. MH hydrogen compression utilizes a reversible heat-driven interaction of a hydride-forming metal alloy with hydrogen gas to form the MH phase and is a promising process for hydrogen energy applications [1,2]. To deliver hydrogen continuously, each stage of the compressor must consist of multiple MH beds with synchronized hydrogenation & dehydrogenation cycles. Multistage pressurization allows achievement of greater compression ratios using reduced temperature swings compared to single stage compressors. The objectives of this project are to investigate and demonstrate on a laboratory scale a two-stage MH hydrogen (H2) gas compressor with a

  2. Metal Nanoparticle Aerogel Composites

    Science.gov (United States)

    Smith, David D.; Sibille, Laurent; Ignont, Erica; Snow, Lanee; Rose, M. Franklin (Technical Monitor)

    2000-01-01

    We have fabricated sol-gels containing gold and silver nanoparticles. Formation of an aerogel produces a blue shift in the surface plasmon resonance as a result of the decrease in the dielectric constant of the matrix upon supercritical extraction of the solvent. However, as a result of chemical interface damping this blue shift does not obey effective medium theories. Annealing the samples in a reducing atmosphere at 400 C eliminates this discrepancy and results in narrowing and further blue shifting of the plasmon resonance. Metal particle aggregation also results in a deviation from the predictions of effective medium theories, but can be controlled through careful handling and by avoiding the use of alcohol. By applying effective medium theories to the heterogeneous interlayer surrounding each metal particle, we extend the technique of immersion spectroscopy to inhomogeneous materials characterized by spatially dependent dielectric constants, such as aerogels. We demonstrate that the shift in the surface plasmon wavelength provides the average fractional composition of each component (air and silica) in this inhomogeneous layer, i.e. the porosity of the aerogel or equivalently, for these materials, the catalytic dispersion. Additionally, the kinetics suggest that collective particle interactions in coagulated metal clusters are perturbed during silica gelation resulting in a change in the aggregate geometry.

  3. Mysteries of metals in metalloenzymes.

    Science.gov (United States)

    Valdez, Crystal E; Smith, Quentin A; Nechay, Michael R; Alexandrova, Anastassia N

    2014-10-21

    Natural metalloenzymes are often the most proficient catalysts in terms of their activity, selectivity, and ability to operate at mild conditions. However, metalloenzymes are occasionally surprising in their selection of catalytic metals, and in their responses to metal substitution. Indeed, from the isolated standpoint of producing the best catalyst, a chemist designing from first-principles would likely choose a different metal. For example, some enzymes employ a redox active metal where a simple Lewis acid is needed. Such are several hydrolases. In other cases, substitution of a non-native metal leads to radical improvements in reactivity. For example, histone deacetylase 8 naturally operates with Zn(2+) in the active site but becomes much more active with Fe(2+). For β-lactamases, the replacement of the native Zn(2+) with Ni(2+) was suggested to lead to higher activity as predicted computationally. There are also intriguing cases, such as Fe(2+)- and Mn(2+)-dependent ribonucleotide reductases and W(4+)- and Mo(4+)-dependent DMSO reductases, where organisms manage to circumvent the scarcity of one metal (e.g., Fe(2+)) by creating protein structures that utilize another metal (e.g., Mn(2+)) for the catalysis of the same reaction. Naturally, even though both metal forms are active, one of the metals is preferred in every-day life, and the other metal variant remains dormant until an emergency strikes in the cell. These examples lead to certain questions. When are catalytic metals selected purely for electronic or structural reasons, implying that enzymatic catalysis is optimized to its maximum? When are metal selections a manifestation of competing evolutionary pressures, where choices are dictated not just by catalytic efficiency but also by other factors in the cell? In other words, how can enzymes be improved as catalysts merely through the use of common biological building blocks available to cells? Addressing these questions is highly relevant to the enzyme

  4. Zone refining of plutonium metal

    Energy Technology Data Exchange (ETDEWEB)

    Blau, Michael S. [Univ. of Idaho, Moscow, ID (United States)

    1994-08-01

    The zone refining process was applied to Pu metal containing known amounts of impurities. Rod specimens of plutonium metal were melted into and contained in tantalum boats, each of which was passed horizontally through a three-turn, high-frequency coil in such a manner as to cause a narrow molten zone to pass through the Pu metal rod 10 times. The impurity elements Co, Cr, Fe, Ni, Np, U were found to move in the same direction as the molten zone as predicted by binary phase diagrams. The elements Al, Am, and Ga moved in the opposite direction of the molten zone as predicted by binary phase diagrams. As the impurity alloy was zone refined, {delta}-phase plutonium metal crystals were produced. The first few zone refining passes were more effective than each later pass because an oxide layer formed on the rod surface. There was no clear evidence of better impurity movement at the slower zone refining speed. Also, constant or variable coil power appeared to have no effect on impurity movement during a single run (10 passes). This experiment was the first step to developing a zone refining process for plutonium metal.

  5. System of cities dynamics in newly industrializing nations.

    Science.gov (United States)

    Meyer, D R

    1986-01-01

    Rapid industrialization in such countries as Korea, Malaysia, and Taiwan suggests that the complex functional structures of cities in the periphery may appear early in development. This paper proposes a 4-stage framework for the dynamics of a system of cities in a developing country undergoing industrialization and encompassing both nonindustrial and industrial development. The synthesis is assessed with evidence from the newly industrializing Asian nations of Korea, Malaysia, and Taiwan. The 4 stages of cities' industrial change include 1) increasing primacy with industrial satellites, 2) increasing primacy with industrial satellites and nodal towns on a transport network, 3) rapidly increasing primacy with rapidly growing industrial satellites and nodal towns on the transport network, and 4) decreasing primacy with slowly growing industrial satellites and rapidly growing peripheral industrial towns. The 4-stage synthesis suggests that economic development in the periphery may occur even while the primate city maintains its hegemony over control and coordination functions. Peripheral industrial growth does not challenge this hegemony. The growth of industrial cities is, instead, part of a process of regional specialization in which the low cost labor in the periphery becomes an attraction for industry. These stages are not inevitable. Government efforts are necessary to develop rural areas in terms of social improvements (education and health), capital infrastructure (transportation and utilities), and fair payments to farmers for their outputs. These seem to be the lessons learned from the industrialization process in Korea, Malaysia, and Taiwan.

  6. Ethical erosion in newly qualified doctors: perceptions of empathy decline.

    Science.gov (United States)

    Stratta, Emily C; Riding, David M; Baker, Paul

    2016-09-06

    This study sought to understand whether UK Foundation doctors perceived the phenomena of ethical erosion and empathy decline during their initial period of clinical practice, and if so, why this occurred. This qualitative study used semi-structured interviews with nine doctors in their first year of clinical practice at Royal Bolton Hospital, UK. Participants were invited to discuss the definition of empathy, how individuals acquire and maintain empathic ability, perceptions of ethical erosion in the self and others, and how clinical experiences have influenced their empathic ability. The interviews were transcribed, and analysed to identify emergent themes. Each participant reported a conscious acknowledgement of empathy decline in their own and their colleagues' early clinical experiences as doctors. Stressful working environments, the prioritisation of patients' physical rather than psychological well-being, and the attitudes of senior colleagues were all suggested as possible causes. Some doctors believed that specialties with reduced patient contact had a culture which precluded empathy, and influenced their own practice. In addition, some described how their value judgements of patients had affected their ability to empathise. However, all doctors perceived that empathy skills were desirable in senior clinicians, and some believed that educational interventions may be useful in arresting ethical erosion. Newly qualified doctors are aware of ethical erosion in themselves and their colleagues as they begin clinical practice. This has serious implications for patient care. Improving working conditions may reverse this trend. Empathy skills training within undergraduate and postgraduate curricula may be a useful intervention.

  7. Two ways to save a newly learned motor pattern.

    Science.gov (United States)

    Roemmich, Ryan T; Bastian, Amy J

    2015-06-01

    Savings, or faster relearning after initial learning, demonstrates humans' remarkable ability to retain learned movements amid changing environments. This is important within the context of locomotion, as the ability of the nervous system to "remember" how to walk in specific environments enables us to navigate changing terrains and progressively improve gait patterns with rehabilitation. Here, we used a split-belt treadmill to study precisely how people save newly learned walking patterns. In Experiment 1, we investigated savings by systematically varying the learning and unlearning environments. Savings was predominantly influenced by 1) previous exposure to similar abrupt changes in the environment and 2) the amount of exposure to the new environment. Relearning was fastest when these two factors coincided, and we did not observe savings after the environment was introduced gradually during initial learning. In Experiment 2, we then studied whether people store explicit information about different walking environments that mirrors savings of a new walking pattern. Like savings, we found that previous exposure to abrupt changes in the environment also drove the ability to recall a previously experienced walking environment accurately. Crucially, the information recalled was extrinsic information about the learning environment (i.e., treadmill speeds) and not intrinsic information about the walking pattern itself. We conclude that simply learning a new walking pattern is not enough for long-term savings; rather, savings of a learned walking pattern involves recall of the environment or extended training at the learned state.

  8. Medical career selection among newly graduated physicians in Madinah, KSA.

    Science.gov (United States)

    Zolaly, Mohammed Adnan; Kasim, Khaled; Mahmoud, Manal Ibrahim

    2013-01-01

    To study factors influencing medical career selection among newly graduated physicians in Al Madinah, KSA. A cross-sectional survey was conducted during the period from January through March 2011. The study recruited 170 interns and residents working at Al Madinah hospitals, KSA. An anonymous self-administered questionnaire was distributed that included personal data and factors influencing medical career selection. Appropriate statistical tests were used with p value ≤ 0.05 was used as an indicator of significant differences. The response rate was 79.4% (n=135, 42.2% male). Statistically significant differences were found between male and female participants regarding all the studied medical carrier selection aspects with the higher mean scores among males. Female participants chose the following specialties more than males: ENT, obstetrics and gynecology, pediatrics and medicine. Linear regression analysis showed specialty characters to be the most important predictor in male (R(2)=0.821) and female (R(2)=0.921). Marital status and specialty training process were found to play a key role among females and personality preference and work achievement among males. Medical career selection is a complex decision-making process. The study revealed specialty characters, personality preference and work achievement (males) and specialty training process and marital status (females), which are the most important predictors for selection.

  9. Performance of a newly developed implantable centrifugal blood pump.

    Science.gov (United States)

    Tsukiya, T; Taenaka, Y; Tatsumi, E; Takano, H

    2001-01-01

    The performance of the newly developed implantable centrifugal blood pump was investigated in vitro. The pump was developed with the end goal of building a versatile system that includes a left ventricular assist system with an internal secondary battery or an implantable biventricular assist system with two implantable blood pumps. The hydrodynamic characteristics and efficiency of the blood pump were evaluated, and the mechanical damage to the blood caused by the blood pump was assessed through a hemolysis test using fresh goat blood. The pump could generate 120 mm Hg at a flow rate of 5 L/min and a motor speed of 2,500 rpm. The electric input power to the pump was approximately 5 watts under these working conditions. The hemolysis caused by the pump was a bit higher than that by the former model, but stayed within an acceptable range. Performance of the pump in vitro was considered sufficient for a left ventricular assist device, although further design improvement is necessary in terms of hemolysis and system efficiency to improve biocompatibility of the pump.

  10. Structural confirmation of oligosaccharides newly isolated from sugar beet molasses

    Directory of Open Access Journals (Sweden)

    Abe Tatsuya

    2012-08-01

    Full Text Available Abstract Background Sugar beet molasses is a viscous by-product of the processing of sugar beets into sugar. The molasses is known to contain sucrose and raffinose, a typical trisaccharide, with a well-established structure. Although sugar beet molasses contains various other oligosaccharides as well, the structures of those oligosaccharides have not been examined in detail. The purpose of this study was isolation and structural confirmation of these other oligosaccharides found in sugar beet molasses. Results Four oligosaccharides were newly isolated from sugar beet molasses using high-performance liquid chromatography (HPLC and carbon-Celite column chromatography. Structural confirmation of the saccharides was provided by methylation analysis, matrix-assisted laser desorption/ionaization time of flight mass spectrometry (MALDI-TOF-MS, and nuclear magnetic resonance (NMR measurements. Conclusion The following oligosaccharides were identified in sugar beet molasses: β-D-galactopyranosyl-(1- > 6-β-D-fructofuranosyl-(2 1-α-D-glucopyranoside (named β-planteose, α-D-galactopyranosyl-(1- > 1-β-D-fructofuranosyl-(2 1-α-D-glucopyranoside (named1-planteose, α-D-glucopyranosyl-(1- > 6-α-D-glucopyranosyl-(1 2-β-D-fructofuranoside (theanderose, and β-D-glucopyranosyl-(1- > 3-α-D-glucopyranosyl-(1 2-β-D-fructofuranoside (laminaribiofructose. 1-planteose and laminaribiofructose were isolated from natural sources for the first time.

  11. Mentoring program for students newly enrolled in an Engineering Degree

    Directory of Open Access Journals (Sweden)

    Juan Pedro Peña-Martín

    2016-10-01

    Full Text Available This work presents a mentoring program for first year engineering students in the Telecommunications Engineering College (ETSIT at the University of Malaga (UMA. Actors involved in the program are professors from staff, veterans mentoring students and, of course, freshmen. All of them has been organized trough the Moodle based Virtual Learning Environment Platform of the UMA. The program has gone through several phases over three years. This paper shows the main objectives of this mentoring program, the initial design to get them where professors played mentor role, and successive changes made to try to improve the results, including the assumption of the mentor role by senior students (peer mentoring. The tools used for program evaluation are shown too. Despite the low participation, it has been a framework for the development of various educational and socializing activities (for mentors and mentees focused on developing generic competences. Furthermore, it has been a research tool to get a better understanding of problems affecting students newly enrolled.

  12. Circulating microparticles and endogenous estrogen in newly menopausal women.

    Science.gov (United States)

    Jayachandran, M; Litwiller, R D; Owen, W G; Miller, V M

    2009-04-01

    Estrogen modulates antithrombotic characteristics of the vascular endothelium and the interaction of blood elements with the vascular surface. A marker of these modulatory activities is formation of cell-specific microparticles. This study examined the relationship between blood-borne microparticles and endogenous estrogen at menopause. Platelet activation and plasma microparticles were characterized from women being screened (n = 146) for the Kronos Early Estrogen Prevention Study. Women were grouped according to serum estrogen ( 40 pg/ml; high estrogen, n = 11). Age, body mass index, blood pressure and blood chemistries were the same in both groups. No woman was hypertensive, diabetic or a current smoker. Platelet counts, basal and activated expression of P-selectin on platelet membranes were the same, but activated expression of glycoprotein IIb/IIIa was greater in the high-estrogen group. Numbers of endothelium-, platelet-, monocyte- and granulocyte-derived microparticles were greater in the low-estrogen group. Of the total numbers of microparticles, those positive for phosphatidylserine and tissue factor were also greater in the low-estrogen group. These results suggest that, with declines in endogenous estrogen at menopause, numbers of procoagulant microparticles increase and thus may provide a means to explore mechanisms for cardiovascular risk development in newly menopausal women.

  13. A NEWLY MARRIED COUPLE SEEKING MAR ITAL THERAPY

    Directory of Open Access Journals (Sweden)

    Srivarshini

    2015-10-01

    Full Text Available I conducted a mental Health Assessment and Marital therapy / Couple Therapy of a young newly married couple at my clinic. Husband ( Mr. A was 28 years old Computer Engineer and wife ( Mrs. A was 23 years old, graduate and a team leader in sports (Football. They were married 3 months ago and it was an arranged marriage. The Marital therapy was conducted in the presence of Mr. A, Mrs. A, and her parents, in four sessions, each lasting for two hours in the month of April 2015. They felt a need to see a Psychiatrist, since there were severe marital conflicts with unconsummated marriage which made the couple think whether they should go for a divorce. My assessment revealed no major treatable mental health problems in the couple. However there was marital disharmony and discord due to incompatibility of both of their personalities. I could not identify any Personality Disorder which would fall in the DSM V category of cluster A and B and C in the couple. There was no past psychiatric history in either of them. There was no significant past medical history or a family history of psychiatric illness. A thorough physical examination was done with no significant abnormal findings. Baseline blood investigations, such as random blood sugar, complete blood picture and TSH was done and was found to be normal.

  14. [Newly devised subcutaneous needle electrodes for EMG recording].

    Science.gov (United States)

    Okabe, Y; Koibuchi, H; Ai, M; Hibi, H; Haketa, T

    1991-09-01

    Subcutaneous needle electrodes made of stainless steel were newly devised for ease of handling and perfect insulation. This needle (phi 0.20 mm) is used for acupuncture. The electrodes had the capability to record the EMG activity easily from a certain muscle. Then, the EMG activities of the masseter muscle were recorded with both these needle electrodes and surface electrodes and the results were compared. 1. Insertion of the electrodes into the subcutaneous tissue was easily performed because of the application of the acupuncture needle and their lightness of 0.2g was effective in fixing the electrodes on the skin without causing any tension. 2. After the insertion of the needle electrodes, the impedance showed below 5 kohm immediately, and the EMG recordings during biting could be simply achieved with great stability. 3. The action potential from the needle electrodes was less than that from the surface ones. The former reacted more sensitively to the change in the distance between the electrodes, compared with the latter.

  15. A wind tunnel test of newly developed personal bioaerosol samplers.

    Science.gov (United States)

    Su, Wei-Chung; Tolchinsky, Alexander D; Sigaev, Vladimir I; Cheng, Yung Sung

    2012-07-01

    In this study the performance of two newly developed personal bioaerosol samplers was evaluated. The two test samplers are cyclone-based personal samplers that incorporate a recirculating liquid film. The performance evaluations focused on the physical efficiencies that a personal bioaerosol sampler could provide, including aspiration, collection, and capture efficiencies. The evaluation tests were carried out in a wind tunnel, and the test personal samplers were mounted on the chest of a full-size manikin placed in the test chamber of the wind tunnel. Monodisperse fluorescent aerosols ranging from 0.5 to 20 microm were used to challenge the samplers. Two wind speeds of 0.5 and 2.0 m/sec were employed as the test wind speeds in this study. The test results indicated that the aspiration efficiency of the two test samplers closely agreed with the ACGIH inhalable convention within the size range of the test aerosols. The aspiration efficiency was found to be independent of the sampling orientation. The collection efficiency acquired from these two samplers showed that the 50% cutoff diameters were both around 0.6 microm. However the wall loss of these two test samplers increased as the aerosol size increased, and the wall loss of PAS-4 was considerably higher than that of PAS-5, especially in the aerosol size larger than 5 microm, which resulted in PAS-4 having a relatively lower capture efficiency than PAS-5. Overall, the PAS-5 is considered a better personal bioaerosol sampler than the PAS-4.

  16. Promotion of hair growth by newly synthesized ceramide mimetic compound.

    Science.gov (United States)

    Park, Bu-Mahn; Bak, Soon-Sun; Shin, Kyung-Oh; Kim, Minhee; Kim, Daehwan; Jung, Sang-Hun; Jeong, Sekyoo; Sung, Young Kwan; Kim, Hyun Jung

    2017-09-09

    Based on the crucial roles of ceramides in skin barrier function, use of ceramides or their structural mimetic compounds, pseudoceramides, as cosmetic ingredients are getting more popular. While currently used pseudoceramides are intended to substitute the structural roles of ceramides in stratum corneum, development of bioactive pseudoceramides has been repeatedly reported. In this study, based on the potential involvement of sphingolipids in hair cycle regulation, we investigated the effects of newly synthesized pseudoceramide, bis-oleamido isopropyl alcohol (BOI), on hair growth using cultured human hair follicles and animal models. BOI treatment promoted hair growth in cultured human hair follicles ex vivo and induced earlier conversion of telogen into anagen. Although we did not find a significant enhancement of growth factor expression and follicular cell proliferation, BOI treatment resulted in an increased sphinganine and sphingosine contents as well as increased ceramides contents in cultured dermal papilla (DP) cells. Taken together, our data strongly suggest that biologically active pseudoceramide promotes hair growth by stimulating do novo synthesis of sphingolipids in DP cells. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Iron deficiency anemia in newly diagnosed celiac disease in children.

    Science.gov (United States)

    Sanseviero, Maria T; Mazza, Giuseppe A; Pullano, Maria N; Oliveiro, Antonella C; Altomare, Federica; Pedrelli, Luca; Dattilo, Bruno; Miniero, Roberto; Meloni, Gianfranco; Giancotti, Laura; Talarico, Valentina

    2016-02-01

    Celiac disease (CD) in children may occur with a wide spectrum of clinical manifestations: anemia is the most frequent extraintestinal manifestation, iron deficiency anemia (IDA) is the common presentation. In our study we aimed to assess IDA condition in a large cohort of pediatric patients with newly diagnosed CD. Our study includes a cohort of 518 children (340 females and 178 males), 6 months-18 years old, joined between January 1990 and January 2013. We have analyzed hematological parameters and iron balance: serum iron, serum ferritin and serum transferrin levels. The diagnosis of IDA was considered on the basis of hemoglobin levels below -2SD, associated with serum iron and ferritin reduction, serum transferrin increase; all compared with the normal reference values for age. Of all patients, 156 patients (30.1%) had anemia, including 103 females (19.8%) and 53 males (10.2%); of these, 112 (21.62%) had IDA (in 18 cases associated with α- or β-thalassemia trait), 22 were thalassemic trait without iron deficiency and the remaining 19 suffered from other forms of anemia. One hundred fifteen patients (22.20%) with low ferritin levels but normal hemoglobin levels were considered as preanemic iron deficient patients. Our data confirm that iron depletion and IDA represent a frequent finding at the diagnosis of CD. This significant relation existing between CD and iron deficiency should be considered by pediatricians at the diagnosis of CD in order to treat the patients.

  18. Climate change and the water cycle in newly irrigated areas.

    Science.gov (United States)

    Abrahão, Raphael; García-Garizábal, Iker; Merchán, Daniel; Causapé, Jesús

    2015-02-01

    Climate change is affecting agriculture doubly: evapotranspiration is increasing due to increments in temperature while the availability of water resources is decreasing. Furthermore, irrigated areas are expanding worldwide. In this study, the dynamics of climate change impacts on the water cycle of a newly irrigated watershed are studied through the calculation of soil water balances. The study area was a 752-ha watershed located on the left side of the Ebro river valley, in Northeast Spain. The soil water balance procedures were carried out throughout 1827 consecutive days (5 years) of hydrological and agronomical monitoring in the study area. Daily data from two agroclimatic stations were used as well. Evaluation of the impact of climate change on the water cycle considered the creation of two future climate scenarios for comparison: 2070 decade with climate change and 2070 decade without climate change. The main indicators studied were precipitation, irrigation, reference evapotranspiration, actual evapotranspiration, drainage from the watershed, and irrigation losses. The aridity index was also applied. The results represent a baseline scenario in which adaptation measures may be included and tested to reduce the impacts of climate change in the studied area and other similar areas.

  19. Impact of newly developed, next-generation artificial endocrine pancreas.

    Science.gov (United States)

    Kambe, Noriko; Kawahito, Shinji; Mita, Naoji; Takaishi, Kazumi; Katayama, Toshiko; Sakai, Yoko; Soga, Tomohiro; Kawano, Hiroaki; Matsuhisa, Munehide; Shimada, Mitsuo; Kitagawa, Tetsuya; Kitahata, Hiroshi

    2015-01-01

    Recent studies have shown that strict perioperative blood glucose management may reduce mortality and morbidity in critically ill adult patients. The purpose of this study was to assess the accuracy and efficacy of the intraoperative application of a newly developed, next-generation artificial endocrine pancreas (STG-55, Nikkiso Co., Ltd., Tokyo, Japan). Twenty patients scheduled to undergo surgery were enrolled in this study. The STG-55 is designed to be more user-friendly than its conventional counterpart (STG-22) while maintaining the latter's fundamental functions, such as a closed-loop system using algorithms for insulin and glucose infusion. After anesthetic induction, a 20G intravenous catheter was inserted into a peripheral forearm vein and connected to a continuous blood glucose monitor. The resultant 105 scores for paired blood glucose values were compared by Bland-Altman analysis. Stable blood glucose values were maintained automatically, and there were no complications related to use of the STG-55. A close correlation (r=0.96) was observed between continuous glucose measurements using the STG-55 and conventional intermittent glucose measurements. The difficulty of manipulation using this system was decreased by improved preparation procedures. The glycemic control system using the STG-55 could provide an alternative way to achieve effective and safe perioperative glycemic control.

  20. A modeling study by response surface methodology and artificial neural network on culture parameters optimization for thermostable lipase production from a newly isolated thermophilic Geobacillus sp. strain ARM

    Directory of Open Access Journals (Sweden)

    Basri Mahiran

    2008-12-01

    Full Text Available Abstract Background Thermostable bacterial lipases occupy a place of prominence among biocatalysts owing to their novel, multifold applications and resistance to high temperature and other operational conditions. The capability of lipases to catalyze a variety of novel reactions in both aqueous and nonaqueous media presents a fascinating field for research, creating interest to isolate novel lipase producers and optimize lipase production. The most important stages in a biological process are modeling and optimization to improve a system and increase the efficiency of the process without increasing the cost. Results Different production media were tested for lipase production by a newly isolated thermophilic Geobacillus sp. strain ARM (DSM 21496 = NCIMB 41583. The maximum production was obtained in the presence of peptone and yeast extract as organic nitrogen sources, olive oil as carbon source and lipase production inducer, sodium and calcium as metal ions, and gum arabic as emulsifier and lipase production inducer. The best models for optimization of culture parameters were achieved by multilayer full feedforward incremental back propagation network and modified response surface model using backward elimination, where the optimum condition was: growth temperature (52.3°C, medium volume (50 ml, inoculum size (1%, agitation rate (static condition, incubation period (24 h and initial pH (5.8. The experimental lipase activity was 0.47 Uml-1 at optimum condition (4.7-fold increase, which compared well to the maximum predicted values by ANN (0.47 Uml-1 and RSM (0.476 Uml-1, whereas R2 and AAD were determined as 0.989 and 0.059% for ANN, and 0.95 and 0.078% for RSM respectively. Conclusion Lipase production is the result of a synergistic combination of effective parameters interactions. These parameters are in equilibrium and the change of one parameter can be compensated by changes of other parameters to give the same results. Though both RSM and

  1. Hard rock, heavy metal, metal

    OpenAIRE

    Hein, Fabien

    2011-01-01

    Le terme générique metal désigne une multitude de genres et de sous-genres musicaux issus de l’appariement du hard rock et du heavy metal. Il résulte d’une agrégation sémantique consécutive de l’érosion et de l’interpénétration de ces termes au cours des années 1980. Leurs modèles canoniques, respectivement représentés par les groupes Led Zeppelin et Black Sabbath, se sont progressivement dilués sous l’effet d’une filiation particulièrement effervescente et féconde : black, thrash, doom, prog...

  2. Predicting future of predictive analysis

    OpenAIRE

    Piyush, Duggal

    2014-01-01

    With enormous growth in analytical data and insight about advantage of managing future brings Predictive Analysis in picture. It really has potential to be called one of efficient and competitive technologies that give an edge to business operations. The possibility to predict future market conditions and to know customers’ needs and behavior in advance is the area of interest of every organization. Other areas of interest may be maintenance prediction where we tend to predict when and where ...

  3. Stellar Kinematics and Metallicities in the Ultra-faint Dwarf Galaxy Reticulum II

    Science.gov (United States)

    Simon, J. D.; Drlica-Wagner, A.; Li, T. S.; Nord, B.; Geha, M.; Bechtol, K.; Balbinot, E.; Buckley-Geer, E.; Lin, H.; Marshall, J.; Santiago, B.; Strigari, L.; Wang, M.; Wechsler, R. H.; Yanny, B.; Abbott, T.; Bauer, A. H.; Bernstein, G. M.; Bertin, E.; Brooks, D.; Burke, D. L.; Capozzi, D.; Carnero Rosell, A.; Carrasco Kind, M.; D'Andrea, C. B.; da Costa, L. N.; DePoy, D. L.; Desai, S.; Diehl, H. T.; Dodelson, S.; Cunha, C. E.; Estrada, J.; Evrard, A. E.; Fausti Neto, A.; Fernandez, E.; Finley, D. A.; Flaugher, B.; Frieman, J.; Gaztanaga, E.; Gerdes, D.; Gruen, D.; Gruendl, R. A.; Honscheid, K.; James, D.; Kent, S.; Kuehn, K.; Kuropatkin, N.; Lahav, O.; Maia, M. A. G.; March, M.; Martini, P.; Miller, C. J.; Miquel, R.; Ogando, R.; Romer, A. K.; Roodman, A.; Rykoff, E. S.; Sako, M.; Sanchez, E.; Schubnell, M.; Sevilla, I.; Smith, R. C.; Soares-Santos, M.; Sobreira, F.; Suchyta, E.; Swanson, M. E. C.; Tarle, G.; Thaler, J.; Tucker, D.; Vikram, V.; Walker, A. R.; Wester, W.; DES Collaboration

    2015-07-01

    We present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity of 62.8+/- 0.5 {km} {{{s}}}-1 and a velocity dispersion of 3.3+/- 0.7 {km} {{{s}}}-1. The mass-to-light ratio of Ret II within its half-light radius is 470+/- 210 {M}⊙ /{L}⊙ , demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 {km} {{{s}}}-1, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with {{[Fe/H]}}\\lt -3. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of {{[Fe/H]}}=-2.65+/- 0.07, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is {{log}}10(J)=18.8+/- 0.6 {GeV}{ }2 {{cm}}-5 within 0.°2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies. Based on data obtained from the ESO Science Archive Facility under request number 157689.

  4. Thermodynamic prediction of glass formation tendency, cluster-in-jellium model for metallic glasses, ab initio tight-binding calculations, and new density functional theory development for systems with strong electron correlation

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yongxin [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    Solidification of liquid is a very rich and complicated field, although there is always a famous homogeneous nucleation theory in a standard physics or materials science text book. Depending on the material and processing condition, liquid may solidify to single crystalline, polycrystalline with different texture, quasi-crystalline, amorphous solid or glass (Glass is a kind of amorphous solid in general, which has short-range and medium-range order). Traditional oxide glass may easily be formed since the covalent directional bonded network is apt to be disturbed. In other words, the energy landcape of the oxide glass is so complicated that system need extremely long time to explore the whole configuration space. On the other hand, metallic liquid usually crystalize upon cooling because of the metallic bonding nature. However, Klement et.al., (1960) reported that Au-Si liquid underwent an amorphous or “glassy” phase transformation with rapid quenching. In recent two decades, bulk metallic glasses have also been found in several multicomponent alloys[Inoue et al., (2002)]. Both thermodynamic factors (e.g., free energy of various competitive phase, interfacial free energy, free energy of local clusters, etc.) and kinetic factors (e.g., long range mass transport, local atomic position rearrangement, etc.) play important roles in the metallic glass formation process. Metallic glass is fundamentally different from nanocrystalline alloys. Metallic glasses have to undergo a nucleation process upon heating in order to crystallize. Thus the short-range and medium-range order of metallic glasses have to be completely different from crystal. Hence a method to calculate the energetics of different local clusters in the undercooled liquid or glasses become important to set up a statistic model to describe metalllic glass formation. Scattering techniques like x-ray and neutron have widely been used to study the structues of metallic glasses. Meanwhile, computer simulation

  5. Glassy metals

    CERN Document Server

    Russew, Krassimir

    2016-01-01

    The topics discussed in this book focus on fundamental problems concerning the structural relaxation of amorphous metallic alloys, above all the possibility of studying it on the basis of viscous flow behavior and its relation to rheological anomalies, such as bend stress relaxation, thermal expansion, specific heat, density changes, and crystallization. Most relaxation studies deal with the relaxation changes of a single definite material property, and not with a wider spectrum of physical properties integrated into a common framework. This book shows that it is possible to describe these property changes on the basis of a more comprehensive theoretical understanding of their mechanism.

  6. METALS DEPOSITS

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    <正>20111705 An Junbo(Team 603,Bureau of Nonferrous Metals Geological Exploration of Jilin Province,Hunchun 133300,China);Xu Renjie Geological Features and Ore Genesis of Baishilazi Scheelite Deposit in Yanbian Area(Jilin Geology,ISSN1001-2427,CN22-1099/P,29(3),2010,p.39-43,2 illus.,2 tables,7 refs.)Key words:tungsten ores,Jilin ProvinceThe Baishilazi scheelite deposit is located in contacting zone between the marble of the Late Palaeozoic Qinglongcun Group and the Hercynian biotite granite.The vein and lenticular major ore body is obviously controlled by NE-extending faults and con

  7. AI applications in sheet metal forming

    CERN Document Server

    Hussein, Hussein

    2017-01-01

    This book comprises chapters on research work done around the globe in the area of artificial intelligence (AI) applications in sheet metal forming. The first chapter offers an introduction to various AI techniques and sheet metal forming, while subsequent chapters describe traditional procedures/methods used in various sheet metal forming processes, and focus on the automation of those processes by means of AI techniques, such as KBS, ANN, GA, CBR, etc. Feature recognition and the manufacturability assessment of sheet metal parts, process planning, strip-layout design, selecting the type and size of die components, die modeling, and predicting die life are some of the most important aspects of sheet metal work. Traditionally, these activities are highly experience-based, tedious and time consuming. In response, researchers in several countries have applied various AI techniques to automate these activities, which are covered in this book. This book will be useful for engineers working in sheet metal industri...

  8. Study of Photophysical Properties on Newly Synthesized Coumarin Derivatives.

    Science.gov (United States)

    Sidarai, Ashok H; Desai, Vani R; Hunagund, Shirajahammad M; Basanagouda, Mahantesha; Kadadevarmath, Jagadish S

    2017-08-19

    Herein, we have studied the photophysical properties for three newly synthesized coumarin derivatives; 4-((2,6-dibromo-4-methylphenoxy)methyl)-2H-benzo[h]chromen-2-one (DMB), 4-((3,4-dihydro-6,7-dimethoxyisoquinolin-1-yl)methyl)-6-methyl-2H-chromen-2-one (DIM) and 4-((p-tolyloxy)methyl)-6-methoxy-2H-chromen-2-one (TMC). The absorption and emission spectra for above said molecules were recorded in different solvents at room temperature in order to calculate their ground and excited state dipole moments. The ground (μ g ) and excited state dipole (μ e ) moments of these coumarin derivatives were calculated using Lippert's, Bakshiev's and Kawski-Chamma-Viallet's equations by the solvatochromic shift method, which involves a variation of Stokes shift with the solvent dielectric constant and refractive index. Ground state dipole moments (μ g ) were also calculated from the Guggenheim method using the dielectric constant and refractive index of the solute molecule. The value of ground state dipole moment obtained from these two methods is well correlated. Further, it is notified that the excited state dipole moment is larger than the ground state dipole moment for all three solute molecules. It inferred that the excited state for above said molecules is more polar than the ground state. The present investigations may shine in the design of nonlinear optical materials. Graphical Abstract The photophysical properties for novel coumarin derivatives were studied in different solvents.Ground and excited state dipole moments were estimated by the solvatochromic shift method. The excited state dipole moment is greater than the ground state dipole moment in systems studied. The excited state is more polar than the ground state. The present investigation may be shine in the design of non linear optical materials.

  9. Therapeutic enhancement of newly derived bacteriocins against Giardia lamblia.

    Science.gov (United States)

    Amer, Eglal I; Mossallam, Shereen F; Mahrous, Hoda

    2014-11-01

    Trials for identifying efficient anti-giardial agents are still ongoing. Nowadays, bacteriocins have attracted the attention as potential antimicrobial compounds. For the first time, the current study evaluated the therapeutic efficacy of bacteriocins derived from newly isolated Egyptian strains of probiotics Lactobacilli; L. acidophilus (P106) and L. plantarum (P164) against Giardia lamblia. Bacteriocins' efficacy was evaluated both in vitro; by growth inhibition and adherence assays, and in vivo; through estimation of parasite density, intestinal histopathological examination and ultrastructural analysis of Giardia trophozoites. In vivo bacteriocins' clinical safety was assessed. In vitro results proved that 50 µg of L. acidophilus bacteriocin induced reduction of the mean Giardia lamblia trophozoites by 58.3 ± 4.04%, while at lower concentrations of 10 and 20 µg of both L. acidophilus and L. plantarum, non significant reduction of the mean parasite density was achieved. In vitro trophozoites adherence was susceptible to the tested bacteriocins at all studied concentrations with variable degrees, while the highest adherence reduction was demonstrated using 50 µg of L acidophilus bacteriocin. In vivo, oral inoculation of 50 µg/mouse L. acidophilus bacteriocin for 5 successive days resulted in a noteworthy decline of the intestinal parasite density, along with amelioration of intestinal pathology of infected mice. Ultrastructural examination proved thatfive doses of L. acidophilus bacteriocin showed marked changes in cellular architecture of the trophozoites with evident disorganization of the cell membrane, adhesive disc and cytoplasmic components. This is the first reported study of the safe anti-giardial efficacy of L. acidophilus (P106) derived bacteriocin, hence highlighting its great promise as a potential therapeutic safe alternative to existing commercial drugs.

  10. Hα Surges Initiated by Newly-emerging Satellite Magnetic Fields

    Science.gov (United States)

    Wang, Jun-feng; Zhou, Tuan-hui; Ji, Hai-sheng

    2014-01-01

    On July 22, 2011 and in the active region NOAA 11259 there ap- peared the event of the ejection of solar atmospheric Hα surges. According to the full-disc Hα observations of the Big Bear Solar Observatory in United States, three consecutive surges at one and the same place in the north of the main spot of the active region were discovered. The trajectories of these three surges exhib- ited the figure of straight lines, and their integral configuration is like an inverted Eiffel Tower. The first two surges are quite similar, and in each of them there appeared two bright points in the northern part of the main spot. After several minutes, the surges appeared in the midst of bright points. When the bright- ness of the bright points attained the maximum value, the surges spouted out from the midst of bright points. And after reaching the maximum altitude, they quickly vanished. Before the ejection of the third surge took place, no bright points appeared. Besides, its maximal altitude is merely one half of that of the first two surges. Via a comparison with the SDO/HMI (Solar Dynamics Obser- vatory/Helioseismic and Magnetic Imager) data of radial magnetic fields, it is found that in more than one hour before the appearance of the first surge there emerged bipolar magnetic fields in the region of ejection. Besides, in several min- utes before the ejection of each Hα surge the magnetic fluxes of positive polarity diminished. Via our analysis it is found that there appeared reconnections be- tween the newly emerging satellite magnetic fields and the preexisting magnetic fields in the spot, and this caused the continuous ejections of Hα surges.

  11. A newly developed open-end intracranial hematoma drainage tube

    Institute of Scientific and Technical Information of China (English)

    Chao He; Nongnaphat Wanussakul; Dong Yang; Tianya Wu; Ming Zhao

    2016-01-01

    Methods:The newly developed device consists of two parts:the plunger and barrel. On one side, the barrel is bullet shaped with an opening tip. The plunger is located in the middle cavity of the tube barrel and extended out at the open-end. It was designed for strengthening the tube barrel and for convenience in performing the drainage procedure. It can be used by inserting the drainage tube into the lesion and pulling out the plunger, whereby blood will forcefully rise up inside the barrel, providing a satisfactory outcome. It is made for effusion drainage purposes. During the procedure, the drainage tip is placed at the deepest part of the intracranial hematoma to completely drain the blood. Moreover, the plunger fits tightly in the tube, preventing leakage during the operation. With the use of the device, brain can be separated. In addition, the device can help reduce the risk of cerebral damage because of the small operating area. The barrel sidewall has matching opening holes bilaterally and equally for exchanging substances between the inner and outer parts. The overlapping ratio in each horizontal pair is around 1/3–1/2. Each pair on the opposite side will form a different pressure. Thus, the opening holes will not easily get blocked with blood clot. Results: Blood and accumulated liquid from the deepest part of the intracranial hematoma can be directly drawn through the drainage tube without damaging a large area. The tube does not get blocked easily and allows for complete removal of the hematoma. Conclusions:The device is asuitable instrument for clinical application.

  12. A Novel Cellulase Produced by a Newly Isolated Trichoderma virens

    Directory of Open Access Journals (Sweden)

    Rong Zeng

    2016-04-01

    Full Text Available Screening and obtaining a novel high activity cellulase and its producing microbe strain is the most important and essential way to improve the utilization of crop straw. In this paper, we devoted our efforts to isolating a novel microbe strain which could produce high activity cellulase. A novel strain Trichoderma virens ZY-01 was isolated from a cropland where straw is rich and decomposed, by using the soil dilution plate method with cellulose and Congo red. The strain has been licensed with a patent numbered ZL 201210295819.6. The cellulase activity in the cultivation broth could reach up to 7.4 IU/mL at a non-optimized fermentation condition with the newly isolated T. virens ZY-01. The cellulase was separated and purified from the T. virens culture broth through (NH42SO4 fractional precipitation, anion-exchange chromatography and gel filtration chromatography. With the separation process, the CMC specific activity increased from 0.88 IU/mg to 31.5 IU/mg with 35.8 purification fold and 47.04% yield. Furthermore, the enzymatic properties of the cellulase were investigated. The optimum temperature and pH is 50 °C and pH 5.0 and it has good thermal stability. Zn2+, Ca2+ and Mn2+ could remarkably promote the enzyme activity. Conversely, Cu2+ and Co2+ could inhibit the enzymatic activity. This work provides a new highly efficient T. virens strain for cellulase production and shows good prospects in practical application.

  13. Ageing with HIV: newly diagnosed older adults in Italy.

    Science.gov (United States)

    Orchi, N; Balzano, R; Scognamiglio, P; Navarra, A; De Carli, G; Elia, P; Grisetti, S; Sampaolesi, A; Giuliani, M; De Filippis, A; Puro, V; Ippolito, G; Girardi, E

    2008-04-01

    The prevalence of HIV/AIDS among people in midlife and late adulthood has been increasing in Western countries over the last decade. We analyzed data from a prospective, observational multi-centre study on individuals newly diagnosed with HIV between January 2004 and March 2007 in 10 public counselling and testing sites in Latium, Italy. At diagnosis, routine demographic, epidemiological, clinical and laboratory data are recorded, and patients are asked to complete a questionnaire investigating socio-demographic and psycho-behavioural aspects. To analyze the association of individual characteristics with age, we compared older adults (> or = 50 years) with their younger counterpart (18-49 years). To adjust for potential confounding effect of the epidemiological, clinical and behavioural characteristics, to identify factors associated with older age at HIV diagnosis, multivariate logistic regression analysis was performed. Overall, 1073 individuals were identified, 125 of whom (11.6%) were aged 50 years or above. The questionnaire was completed by 41% (440/1073). Compared with their younger counterparts, a higher proportion of older patients were males, born in Italy, reported heterosexual or unknown HIV risk exposure, were never tested for HIV before and were in a more advanced stage of HIV infection at diagnosis. In addition, older adults had a lower educational level and were more frequently living with their partners or children. With respect to psycho-behavioural characteristics, older patients were more likely to have paid money for sex and have never used recreational drugs. Interestingly, no differences were found regarding condom use, which was poor in both age groups. These findings may have important implications for the management of older adults with HIV, who should be targeted by appropriate public health actions, such as opportunistic screening and easier access to healthcare. Moreover, strategies including information on HIV and prevention of risk

  14. Clinical Epidemiology of SIRS and Sepsis in Newly Admitted Children.

    Science.gov (United States)

    Ganjoo, Sheetal; Ahmad, Kaisar; Qureshi, Umar Amin; Mir, Zahed Hussain

    2015-08-01

    To assess the clinical and demographic profile of Systemic Inflammatory Response Syndrome (SIRS) and sepsis, among newly admitted children in different age groups in a hospital in North India. This prospective study was conducted at a referral care centre in Northern India. All children, age group 0 to SIRS) and sepsis and to gain clinical and demographic data. The criteria laid at International consensus conference, 2002, were used to define patients as SIRS, Sepsis, Severe sepsis and Septic shock. During the study period, a total of 865 patients were screened for SIRS. Prevalence of SIRS amongst hospitalised children was 23 % (n = 201). Seventy nine percent (n = 159) of patients had infection associated SIRS and 21 % (42) had non-infective SIRS. Sixty four percent (n = 129) SIRS patients had uncomplicated sepsis, 15 % (n = 30) patients fulfilled criteria for severe sepsis. Out of the latter 30, 19 had septic shock. Organ dysfunction in SIRS was noted in 25 % (n = 51). 37.25 % (n = 19) had multiple organ dysfunction syndrome (MODS). The most common organism isolated was Staphylococcus aureus (n = 9). Focus of infection in majority was pulmonary (44 %). Mean duration of antibiotic therapy and hospital stay in the SIRS group were 6.4 and 6.5 d respectively. In the group without SIRS, mean duration were 2.44 d and 3.07 d respectively The differences were statistically significant. In conclusion, the proportion of sepsis contributing to SIRS is high in a tertiary care hospital. Therefore rapid recognition of SIRS is essential. Goal directed treatment of sepsis is also important so that high mortality associated with severe sepsis and septic shock are prevented.

  15. Review of Biohydrometallurgical Metals Extraction from Polymetallic Mineral Resources

    OpenAIRE

    Watling, Helen R.

    2014-01-01

    This review has as its underlying premise the need to become proficient in delivering a suite of element or metal products from polymetallic ores to avoid the predicted exhaustion of key metals in demand in technological societies. Many technologies, proven or still to be developed, will assist in meeting the demands of the next generation for trace and rare metals, potentially including the broader application of biohydrometallurgy for the extraction of multiple metals from low-grade and com...

  16. Forming limit prediction of powder forging process by the energy-based elastoplastic damage model

    Science.gov (United States)

    Yeh, Hung-Yang; Cheng, Jung-Ho; Huang, Cheng-Chao

    2004-06-01

    An energy-based elastoplastic damage model is developed and then applied to predict the deformation and fracture initiation in powder forging processes. The fracture mechanism is investigated by the newly proposed damage model, which is based on the plastic energy dissipation. The developed formulations are implemented into finite element program ABAQUS in order to simulate the complex loading conditions. The forming limits of sintered porous metals under various operational conditions are explored by comparing the relevant experiments with the finite element analyses. The sintered iron-powder preforms of various initial relative densities (RDs) and aspect ratios are compressed until crack initiates. The deformation level of the bulged billets at fracture stroke obtained from compressive fracture tests is utilized to validate the finite element model and then the forming limit diagrams are constructed with the validated model. This model is further verified by the gear blank forging. The fracture site and corresponding deformation level are predicted by the finite element simulations. Meanwhile, the gear forging experiment is performed on the sintered preforms. The predicted results agree well with the experimental observations.

  17. Hot metal temperature prediction and simulation by fuzzy logic in a blast furnace; Prediccion y simulacion, mediante logica difusa, de la temperatura de salida del arrabio en un horno alto

    Energy Technology Data Exchange (ETDEWEB)

    Romero, M. A.; Jimenez, J.; Mochon, J.; Formoso, A.; Bueno, F. [Centro Nacional de Investigaciones Metalurgicas CENIM. Madrid (Spain); Menendez, J. L. [ACERALIA. Gijon Asturias (Spain)

    2000-07-01

    This work describes the development and further validation of a model devoted to blast furnace hot metal temperature forecast, based on Fuzzy logic principles. The model employs as input variables, the control variables of an actual blast furnace: Blast volume, moisture, coal injection, oxygen addition, etc. and it yields as a result the hot metal temperature with a forecast horizon of forty minutes. As far as the variables used to develop the model have been obtained from data supplied by an actual blast furnaces sensors, it is necessary to properly analyse and handle such data. Especial attention was paid to data temporal correlation, fitting by interpolation the different sampling rates. In the training stage of the model the ANFIS (Adaptive Neuro-Fuzzy Inference System) and the Subtractive Clustering algorithms have been used. (Author) 9 refs.

  18. The Efficacy of the BCG Vaccine against Newly Emerging Clinical Strains of Mycobacterium tuberculosis.

    Directory of Open Access Journals (Sweden)

    Marcela Henao-Tamayo

    Full Text Available To date, most new vaccines against Mycobacterium tuberculosis, including new recombinant versions of the current BCG vaccine, have usually been screened against the laboratory strains H37Rv or Erdman. In this study we took advantage of our recent work in characterizing an increasingly large panel of newly emerging clinical isolates [from the United States or from the Western Cape region of South Africa], to determine to what extent vaccines would protect against these [mostly high virulence] strains. We show here that both BCG Pasteur and recombinant BCG Aeras-422 [used here as a good example of the new generation BCG vaccines] protected well in both mouse and guinea pig low dose aerosol infection models against the majority of clinical isolates tested. However, Aeras-422 was not effective in a long term survival assay compared to BCG Pasteur. Protection was very strongly expressed against all of the Western Cape strains tested, reinforcing our viewpoint that any attempt at boosting BCG would be very difficult to achieve statistically. This observation is discussed in the context of the growing argument made by others that the failure of a recent vaccine trial disqualifies the further use of animal models to predict vaccine efficacy. This viewpoint is in our opinion completely erroneous, and that it is the fitness of prevalent strains in the trial site area that is the centrally important factor, an issue that is not being addressed by the field.

  19. Solvent effects on optical properties of a newly synthesized two-photon polymerization initiator: BPYPA

    Institute of Scientific and Technical Information of China (English)

    Guo Ya-Hui; Sun Yuan-Hong; Tao Li-Min; Zhao Ke; Wang Chuan-Kui

    2005-01-01

    Time-dependent hybrid density functional theory in combination with polarized continuum model is applied to study the solvent effects on the geometrical and electronic structures as well as one- and two-photon absorption processes,of a newly synthesized asymmetrical charge-transfer organic molecule bis-(4-bromo-phenyl)-[4-(2-pyridin-4-yl-vinyl)phenyl]-amine (BPYPA). There exist two charge-transfer states for the compound in visible region. The two-photon absorption cross section calculated by a three-state model and solvatochromic shift of the charge-transfer states are found to be solvent-dependent, where a nonmonotonic behaviour with respect to the polarity of the solvents is observed. The numerical results show that the organic molecule exhibits a rather large two-photon absorption cross section as compared with the compound 4-trans-[p-(N, N-Di-n-butylamino)-p-stilbenyl vinyl] pyridine (DBASVP) reported previously, and is predicted to be a good two-photon polymerization initiator. The hydrogen-bond effect is analysed. The computational results are in good agreement with the measurements.

  20. Experimental, numerical and analytical modelling of a newly developed rockfall protective cable-net structure

    Directory of Open Access Journals (Sweden)

    S. Dhakal

    2011-12-01

    Full Text Available An innovative configuration of pocket-type rockfall protective cable-net structure, known as Long-span Pocket-type Rock-net (LPR, has been developed in Japan. The global performance of the proposed system was initially checked by the experimental (full-scale modelling. Given the various limitations of the physical experiments, particularly for the parametric study to have a detailed understanding of the newly developed system, a reliable and simplified method of numerical modelling is felt necessary. Again, given the sophistication involved with the method of numerical simulation, a yet simplified modelling approach may prove more effective. On top of this background, this paper presents a three-tier modelling of a design of LPR. After physical modelling, which has revealed that the displacement response may be taken more vital for LPR performance, Finite Element based numerical modelling is presented. The programme LS-DYNA is used and the models are calibrated and verified with the element- and structure-level experiments. Finally, a simple analytical modelling consisting of the equivalently linear and elastic, lumped-mass, single-degree-of-freedom system, capable of predicting the global displacement response, is proposed based on the basic principles of conservation of linear momentum and energy. The model is back-calculated and modified from the analyses of the verified numerical model.

  1. Satisfaction with antiepileptic drugs in children and adolescents with newly diagnosed and chronic epilepsy.

    Science.gov (United States)

    Beghi, Ettore; Messina, Paolo; Pupillo, Elisabetta; Crichiutti, Giovanni; Baglietto, Maria Giuseppina; Veggiotti, Pierangelo; Zamponi, Nelia; Casellato, Susanna; Margari, Lucia; Cianchetti, Carlo

    2012-06-01

    To assess incidence, indicators and outcome of satisfaction with antiepileptic drugs in children. Multicenter, observational, open, prospective survey of children and adolescents with epilepsy with three-month follow-up. Included were patients aged 3-17 years with newly diagnosed ("new diagnosis") or chronic epilepsy ("old diagnosis") requiring treatment start or change. Satisfaction was assessed with the Hedonic Visual Scale or direct questions, depending on patient's age. Quality of life of adolescents (QOLIE-48) and of caregivers (SF-36) and predictors of (dis)satisfaction were also assessed. 293 patients completed the study. Most had generalized idiopathic epilepsy, and a disease lasting satisfaction were 70.6% at one month and 75.8% at three months. Compared to old diagnosis, new diagnosis carried a higher satisfaction rate and improved satisfaction at end of follow-up. Independent predictors of dissatisfaction were an old diagnosis, adverse events and SF-36 score. The latter remained the only independent predictor of persisting dissatisfaction when adjusting for the presence of and the interaction with adverse events. About one-fourth of children and adolescents with epilepsy are dissatisfied with treatment. Chronic epilepsy, adverse events, and parents/caregivers with poor quality of life predict dissatisfaction. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Erosion of newly developed CFCs and Be under disruption heat loads

    Science.gov (United States)

    Nakamura, K.; Akiba, M.; Araki, M.; Dairaku, M.; Sato, K.; Suzuki, S.; Yokoyama, K.; Linke, J.; Duwe, R.; Bolt, H.; Roedig, M.

    1996-10-01

    An evaluation of the erosion under disruption heat loads is very important to the lifetime prediction of divertor armour tiles of next fusion devices such as ITER. In particular, erosion data on CFCs (carbon fiber reinforced composites) and beryllium (Be) as the armour materials is urgently required in the ITER design. For CFCs, high heat flux experiments on the newly developed CFCs with high thermal conductivity have been performed under the heat flux of around 800-2000 MW/m 2 and the pulse length of 2-5 ms in JAERI electron beam irradiation systems (JEBIS). As a result, the weight losses of B 4C doped CFCs after heating were almost same to those of the non doped CFC up to 5 wt% boron content. For Be, we have carried out our first disruption experiments on S65/C grade Be specimens in the Juelich divertor test facility in hot cells (JUDITH) facility as a frame work of the J—EU collaboration. The heating conditions were heat loads of 1250-5000 MW/m 2 for 2-8 ms, and the heated area was 3 × 3 mm 2. As a result, the protuberances of the heated area of Be were observed under the lower heat flux.

  3. Newly forming bone graft: a novel surgical approach to the treatment of denuded roots

    Directory of Open Access Journals (Sweden)

    Adriana Campos Passanezi Sant'Ana

    2012-06-01

    Full Text Available Many techniques have been proposed for root coverage. However, none of them presents predictable results in deep and wide recessions. OBJECTIVES: The aim of this case series report is to describe an alternative technique for root coverage at sites showing deep recessions and attachment loss >4 mm at buccal sites. MATERIAL AND METHODS: Four patients presenting deep recession defects at buccal sites (>4 mm were treated by the newly forming bone graft technique, which consists in the creation of an alveolar socket at edentulous ridge and transferring of granulation tissue present in this socket to the recession defect after 21 days. Clinical periodontal parameters, including recession depth (RD, probing depth (PD, clinical attachment level (CAL, bleeding on probing (BOP, plaque index (PI and keratinized gingiva width (KGW were evaluated by a single examiner immediately before surgery and at 1, 3, 6 and 9 months postoperatively. RESULTS: All cases showed reduction in RD and PD, along with CAL gain, although no increase in KGW could be observed. These findings suggest that the technique could favor periodontal regeneration along with root coverage, especially in areas showing deep recessions and attachment loss.

  4. Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

    Science.gov (United States)

    Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

    2017-02-14

    We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

  5. Computational analysis to predict functional role of hsa-miR-3065 ...

    African Journals Online (AJOL)

    2012-12-31

    Dec 31, 2012 ... Computational analysis to predict functional ... (ART) the prognosis of their disease is poor. The use ..... and four million persons are newly infected each year, ..... primates with chronic hepatitis C virus infection. Science. 2010;.

  6. Influence of nitrogen form on the phytoextraction of cadmium by a newly discovered hyperaccumulator Carpobrotus rossii.

    Science.gov (United States)

    Liu, Wuxing; Zhang, Chengjun; Hu, Pengjie; Luo, Yongming; Wu, Longhua; Sale, Peter; Tang, Caixian

    2016-01-01

    Using hyperaccumulator plants is an important method to remove heavy metals from contaminated land. Carpobrotus rossii, a newly found Cd hyperaccumulator, has shown potential to remediate Cd-contaminated soils. This study examined the effect of nitrogen forms on Cd phytoextraction by C. rossii. The plants were grown for 78 days in an acid soil spiked with 20 mg Cd kg(-1) and supplied with (NH4)2SO4, Ca(NO3)2, urea, and chicken manure as nitrogen (N) fertilizers. Nitrification inhibitor dicyandiamide (DCD) was applied to maintain the ammonium (NH4(+)) form. Nitrogen fertilization increased shoot biomass but decreased root biomass with the highest shoot biomass occurring in the manure treatment. Compared to the no-N control, urea application did not affect shoot Cd concentration, but increased Cd content by 17% due to shoot biomass increase. Chicken manure significantly decreased CaCl2-extractable Cd in soil, and the Cd concentration and total Cd uptake in the plant. Rhizosphere pH was the highest in the manure treatment and the lowest in the NH4(+) treatments. The manure and nitrate (NO3(-)) treatments tended to have higher rhizosphere pH than their respective bulk soil pH, whereas the opposite was observed for urea and NH4(+) treatments. Furthermore, the concentrations of extractable Cd in soil and Cd in the plant correlated negatively with rhizosphere pH. The study concludes that urea significantly enhanced the Cd phytoaccumulation by C. rossii while chicken manure decreased Cd availability in soil and thus the phytoextraction efficiency.

  7. Survival analysis in patients with newly diagnosed glioblastoma using pre- and postradiotherapy MR spectroscopic imaging†

    Science.gov (United States)

    Li, Yan; Lupo, Janine M.; Parvataneni, Rupa; Lamborn, Kathleen R.; Cha, Soonmee; Chang, Susan M.; Nelson, Sarah J.

    2013-01-01

    Background The objective of this study was to examine the predictive value of parameters of 3D 1H magnetic resonance spectroscopic imaging (MRSI) prior to treatment with radiation/chemotherapy (baseline) and at a postradiation 2-month follow-up (F2mo) in relationship to 6-month progression-free survival (PFS6) and overall survival (OS). Methods Sixty-four patients with newly diagnosed glioblastoma multiforme (GBM) being treated with radiation and concurrent chemotherapy were involved in this study. Evaluated were metabolite indices and metabolite ratios. Logistic linear regression and Cox proportional hazards models were utilized to evaluate PFS6 and OS, respectively. These analyses were adjusted by age and MR scanner field strength (1.5 T or 3 T). Stepwise regression was performed to determine a subset of the most relevant variables. Results Associated with shorter PFS6 were a decrease in the ratio of N-acetyl aspartate to choline-containing compounds (NAA/Cho) in the region with a Cho-to-NAA index (CNI) >3 at baseline and an increase of the CNI within elevated CNI regions (>2) at F2mo. Patients with higher normalized lipid and lactate at either time point had significantly worse OS. Patients who had larger volumes with abnormal CNI at F2mo had worse PFS6 and OS. Conclusions Our study found more 3D MRSI parameters that predicted PFS6 and OS for patients with GBM than did anatomic, diffusion, or perfusion imaging, which were previously evaluated in the same population of patients. PMID:23393206

  8. Interfacial properties of stanene-metal contacts

    Science.gov (United States)

    Guo, Ying; Pan, Feng; Ye, Meng; Wang, Yangyang; Pan, Yuanyuan; Zhang, Xiuying; Li, Jingzhen; Zhang, Han; Lu, Jing

    2016-09-01

    Recently, two-dimensional buckled honeycomb stanene has been manufactured by molecular beam epitaxy growth. Free-standing stanene is predicted to have a sizable opened band gap of 100 meV at the Dirac point due to spin-orbit coupling (SOC), resulting in many fascinating properties such as quantum spin Hall effect, quantum anomalous Hall effect, and quantum valley Hall effect. In the first time, we systematically study the interfacial properties of stanene-metal interfaces (metals = Ag, Au, Cu, Al, Pd, Pt, Ir, and Ni) by using ab initio electronic structure calculations considering the SOC effects. The honeycomb structure of stanene is preserved on the metal supports, but the buckling height is changed. The buckling of stanene on the Au, Al, Ag, and Cu metal supports is higher than that of free-standing stanene. By contrast, a planar graphene-like structure is stabilized for stanene on the Ir, Pd, Pt, and Ni metal supports. The band structure of stanene is destroyed on all the metal supports, accompanied by a metallization of stanene because the covalent bonds between stanene and the metal supports are formed and the structure of stanene is distorted. Besides, no tunneling barrier exists between stanene and the metal supports. Therefore, stanene and the eight metals form a good vertical Ohmic contact.

  9. Theoretical approach to the magnetic properties of Mn(II), Cr(III), and Cu(II) complexes in the newly reported 12- and 15-membered macrocyclic ligands

    Indian Academy of Sciences (India)

    Ali Bayri; Mustafa Karkaplan

    2007-08-01

    The magnetic properties of Cu2+, Cr3+, and Mn2+ ions in the newly reported 12- and 15-membered macrocyclic complexes are analysed by a theoretical approach. The calculated magnetic moment and magnetic anisotropy for various situations, especially for Cu(II) ion, suggest that the magnetic properties may lead to a better interpretation about the geometry. It is also suggested that the zero-field splitting Hamiltonian may be used for magnetic properties of some metal ions, which have orbital singlet ground term in these complexes.

  10. Hidden scale invariance of metals

    DEFF Research Database (Denmark)

    Hummel, Felix; Kresse, Georg; Dyre, Jeppe C.

    2015-01-01

    available. Hidden scale invariance is demonstrated in detail for magnesium by showing invariance of structure and dynamics. Computed melting curves of period three metals follow curves with invariance (isomorphs). The experimental structure factor of magnesium is predicted by assuming scale invariant...... of metals making the condensed part of the thermodynamic phase diagram effectively one dimensional with respect to structure and dynamics. DFT computed density scaling exponents, related to the Grüneisen parameter, are in good agreement with experimental values for the 16 elements where reliable data were......Density functional theory (DFT) calculations of 58 liquid elements at their triple point show that most metals exhibit near proportionality between the thermal fluctuations of the virial and the potential energy in the isochoric ensemble. This demonstrates a general “hidden” scale invariance...

  11. DISABILITIES OF HANDS, FEET AND EYES IN NEWLY-DIAGNOSED LEPROSY PATIENTS IN EASTERN NEPAL

    NARCIS (Netherlands)

    SCHIPPER, A; LUBBERS, WJ; HOGEWEG, M; DESOLDENHOFF, R

    1994-01-01

    The objective of the study was to determine the magnitude of hand/feet/eye disabilities in newly diagnosed leprosy patients by examining all newly diagnosed leprosy patients who presented at the Eastern Leprosy Control Project (supported by The Netherlands Leprosy Relief Association), made up of a r

  12. Plurilinguism in Teachers' Professionalization: Views of Newly Qualified Pedagogues of Social Work

    Science.gov (United States)

    Zascerinskis, Mihails; Aleksejeva, Ludmila; Zascerinska, Jelena

    2012-01-01

    Teachers' professionalization is promoted by language education that includes mother tongue across the curriculum, foreign languages and professional language. Aim of the research is to analyze views of newly qualified pedagogues of social work on languages of professionalization. The object of the present research is views of newly qualified…

  13. DISABILITIES OF HANDS, FEET AND EYES IN NEWLY-DIAGNOSED LEPROSY PATIENTS IN EASTERN NEPAL

    NARCIS (Netherlands)

    SCHIPPER, A; LUBBERS, WJ; HOGEWEG, M; DESOLDENHOFF, R

    The objective of the study was to determine the magnitude of hand/feet/eye disabilities in newly diagnosed leprosy patients by examining all newly diagnosed leprosy patients who presented at the Eastern Leprosy Control Project (supported by The Netherlands Leprosy Relief Association), made up of a

  14. Prospective Study of Posttraumatic Stress Disorder in Parents of Children with Newly Diagnosed Type 1 Diabetes.

    Science.gov (United States)

    Landolt, Markus A.; Vollrath, Margarete; Laimbacher, Joseph; Gnehm, Hanspeter E.; Sennhauser, Felix H.

    2005-01-01

    Objective: To determine the prevalence, course, and predictors of posttraumatic stress disorder (PTSD) in mothers and fathers of children with newly diagnosed type 1 diabetes. Method: Forty-nine mothers and 48 fathers of 52 children (response rate 65%) with newly diagnosed diabetes (age 6.5-15 years) were assessed at 6 weeks, 6 months, and 12…

  15. Dietary protein and fermentable carbohydrates contents influence growth performance and intestinal characteristics in newly weaned pigs

    NARCIS (Netherlands)

    Bikker, P.; Dirkzwager, A.; Fledderus, J.; Trevisi, P.; Huërou-Luron, Le I.; Lallès, J.P.; Awati, A.

    2007-01-01

    Increasing the dietary amount of fermentable carbohydrates (FC) may counteract the negative effects of protein fermentation in newly weaned piglets. To study this hypothesis, 272 newly weaned piglets were allotted to 4 dietary treatments in a 2 × 2 factorial arrangement with low and high FC (7.5 and

  16. Characteristics of dysfunction of islet β-cell in newly diagnosed type 2 diabetic patients

    Institute of Scientific and Technical Information of China (English)

    李延兵

    2006-01-01

    Objective To investigate the characteristics of the dysfunction of isletβ-cell in newly diagnosed type 2 diabetic patients. Methods Intravenous glucose tolerance test (IVGTT) was carried out on 352 newly diagnosed type 2 diabetic patients and 48 subjects with normal glucose tolerance (NGT) and then blood samples were collected 1, 2, 4, 6, and 10 minutes later to measure the

  17. The Sounds of Metal

    DEFF Research Database (Denmark)

    Grund, Cynthia M.

    2015-01-01

    Two, I propose that this framework allows for at least a theoretical distinction between the way in which extreme metal – e.g. black metal, doom metal, funeral doom metal, death metal – relates to its sound as music and the way in which much other music may be conceived of as being constituted...

  18. Geomorphological evolution of a newly restored upland temporary stream

    Science.gov (United States)

    Marteau, Baptiste; Batalla, Ramon J.; Gibbins, Chris N.; Green, David R.; Vericat, Damià

    2015-04-01

    The river Ehen, NW England, has been designated as a Special Area of Conservation (SAC) as it hosts England's largest population of freshwater pearl mussels (M. margaritifera). One of the Ehen's main headwater tributary, Ben Gill, was diverted to Ennerdale Lake in the 1970s to help increase the volume of water available for abstraction. Concerns over this diversion on the hydrology and sediment dynamics of the Ehen has led to the reconnection of this temporary stream as part of a project designed to improve habitat conditions for mussels in the Ehen. The reconnection has involved the construction of a new section of channel, following the natural (pre-diversion) course of Ben Gill. This paper presents findings of research designed to track the morphological evolution of the newly created Ben Gill channel. The work follows a previous research in which fluvial dynamics in the Ehen were studied before the reconnection of Ben Gill. Morpho-sedimentary dynamics are analysed at multiple scales: from the movement of individual particles, to changes on channel morphology following competent flow events. Changes in the channel's grain size distributions have been investigated in different sections, while bed mobility has been assessed using a combination of radio frequency identification (RFID) tags inserted into representative particles and painted bed patches. Additionally, digital elevation models (DEMs) of the entire new channel have been constructed by means of automatic digital photogrammetry using high resolution aerial photography taken by an unmanned aerial vehicle (UAV). DEMs of difference (DoD) between major flow events have been used to track lateral and longitudinal changes in the channel at a spatial resolution of less than 5cm. Finally, in order to link sedimentological changes in the new channel to its impact on the main stem Ehen, morpho-sedimentary changes of a gravel bar at the confluence have been monitored combining tracers (i.e. RFID) and repeated

  19. Initial experience with a newly developed cementless hip endoprosthesis.

    Science.gov (United States)

    Hach, V; Delfs, G

    2009-01-01

    The HELICA-Endoprosthesis is a newly developed cementless hip prosthesis for dogs. It was implanted in 39 dogs that had severe hip osteoarthritis and a history of hip pain, as well as in one dog that had chronic hip luxation. One dog had a bilateral arthroplasty. The body weight of the patients ranged between 22 and 54 kg and their ages between nine months and 10 years. Both the femoral stem and acetabular component of the prosthesis were screwed into position following bony preparation. Additional fixation was not necessary as the components remain fixed in position until osteointegration is complete. There are currently five sizes of prosthesis available, and the various components such as the stem, cup and head are readily interchangeable. Although it appeared that good osseous anchorage of the prostheses in the bone on the surgery table had been obtained, three patients experienced both stem and cup loosening (one week, three weeks and six months after surgery). In one animal, stem loosening was observed six weeks after surgery, and another dog experienced a cup loosening two weeks postoperatively. Most of the complications were due to technical errors that occurred during the learning phase. Surgical revisions were successful in three out of five animals. In two animals we had to perform a femoral head and neck excision. Two other animals experienced radiographic bone resorption underneath the segmented collar of the femoral prosthesis but did not show any significant clinical signs of lameness. Another dog that showed signs of ischial neuropraxy after surgery, recovered completely within six weeks after surgery. All of the dogs were capable of weight bearing on the operated leg one day after surgery. The main advantage of the HELICA-Endoprosthesis is the relatively easy surgical technique and short surgery time. The initial clinical results in these 40 cases have been very encouraging. The aim of this study was to assess the early clinical results in these 39

  20. Predictive medicine

    NARCIS (Netherlands)

    Boenink, Marianne; Have, ten Henk

    2015-01-01

    In the last part of the twentieth century, predictive medicine has gained currency as an important ideal in biomedical research and health care. Research in the genetic and molecular basis of disease suggested that the insights gained might be used to develop tests that predict the future health sta

  1. The Global Flows of Metals and Minerals

    Science.gov (United States)

    Rogich, Donald G.; Matos, Grecia R.

    2008-01-01

    This paper provides a preliminary review of the trends in worldwide metals and industrial minerals production and consumption based on newly developed global metals and minerals Material Flow Accounts (MFA). The MFA developed encompass data on extraction and consumption for 25 metal and mineral commodities, on a country-by-country and year-by-year basis, for the period 1970 to 2004. The data-base, jointly developed by the authors, resides with the U.S. Geological Survey (USGS) as individual commodity Excel workbooks and within a Filemaker data management system for use in analysis. Numerous national MFA have been developed to provide information on the industrial metabolism of individual countries. These MFA include material flows associated with the four commodity categories of goods that are inputs to a country's economy, agriculture, forestry, metals and minerals, and nonrenewable organic material. In some cases, the material flows associated with the creation and maintenance of the built infrastructure (such as houses, buildings, roads, airports, dams, and so forth) were also examined. The creation of global metals and industrial minerals flows is viewed as a first step in the creation of comprehensive global MFA documenting the historical and current flows of all of the four categories of physical goods that support world economies. Metals and minerals represent a major category of nonrenewable resources that humans extract from and return to the natural ecosystem. As human populations and economies have increased, metals and industrial minerals use has increased concomitantly. This dramatic growth in metals and minerals use has serious implications for both the availability of future resources and the health of the environment, which is affected by the outputs associated with their use. This paper provides an overview of a number of the trends observed by examining the database and suggests areas for future study.

  2. Metals production

    Science.gov (United States)

    Beck, Theodore S.

    1992-02-01

    Existing procedures for design of electrochemical plants can be used for design of lunar processes taking into consideration the differences in environmental conditions. These differences include: 1/6 Earth gravity, high vacuum, solar electrical and heat source, space radiation heat sink, long days and nights, and different availability and economics of materials, energy, and labor. Techniques have already been developed for operation of relatively small scale hydrogen-oxygen fuel cell systems used in the U.S. lunar landing program. Design and operation of lunar aqueous electrolytic process plants appears to be within the state-of-the-art. Finding or developing compatible materials for construction and designing of fused-magma metal winning cells will present a real engineering challenge.

  3. Apparent diffusion coefficient and fractional anisotropy of newly diagnosed grade II gliomas†

    Science.gov (United States)

    Khayal, Inas S.; McKnight, Tracy R.; McGue, Colleen; Vandenberg, Scott; Lamborn, Kathleen R.; Chang, Susan M.; Cha, Soonmee; Nelson, Sarah J.

    2013-01-01

    Distinguishing between low-grade oligodendrogliomas (ODs) and astrocytomas (AC) is of interest for defining prognosis and stratifying patients to specific treatment regimens. The purpose of this study was to determine if the apparent diffusion coefficient (ADC) and fractional anisotropy (FA) from diffusion imaging can help to differentiate between newly diagnosed grade II OD and AC subtypes and to evaluate the ADC and FA values for the mixed population of oligoastrocytomas (OA). Fifty-three patients with newly diagnosed grade II gliomas were studied using a 1.5T whole body scanner (23 ODs, 16 ACs, and 14 OAs). The imaging protocol included post-gadolinium T1-weighted images, T2-weighted images, and either three and/or six directional diffusion imaging sequence with b = 1000 s/mm2. Diffusion-weighted images were analyzed using in-house software to calculate maps of ADC and for six directional acquisitions, FA. The intensity values were normalized by values from normal appearing white matter (NAWM) to generate maps of normalized apparent diffusion coefficient (nADC) and normalized fractional anisotropy (nFA). The hyperintense region in the T2 weighted image was defined as the T2All region. A Mann–Whitney rank-sum test was performed on the 25th, median, and 75th nADC and nFA among the three subtypes. Logistic regression was performed to determine how well the nADC and nFA predict subtype. Lesions diagnosed as being OD had significantly lower nADC and significantly higher nFA, compared to AC. The nADC and nFA values individually classified the data with an accuracy of 87%. Combining the two did not enhance the classification. The patients with OA had nADC and nFA values between those of OD and AC. This suggests that ADC and FA may be helpful in directing tissue sampling to the most appropriate regions for taking biopsies in order to make a definitive diagnosis. PMID:19125391

  4. Transformation of organic N newly added to red soil treated with different cultural practices

    Institute of Scientific and Technical Information of China (English)

    ZhangQin-Zheng; YeQing-Fu; 等

    1998-01-01

    By using 15N tracer method,transformation of organic N,which wqas newly added to red soil treated with different cultural practices,was studied under thelaboratory incubation condition.The experimental results showed that the transformation of N from newly added organic matter and soil native pool during incubation was influenced by cultural practice treatment beforeincubation.Fallow was favorable to the mineralization of newly added organic N and soil N compared with the planting wheat treatment.Planting wheat greatly increased the loss of soil N.Application of fertilizers stimulated the mineralization of newly added organic N and application of organic matter reduced the mineralization,but stimulated microbialtransformation of newly adde4d organic N.

  5. 3.0 Tesla vs 1.5 Tesla breast magnetic resonance imaging in newly diagnosed breast cancer patients.

    Science.gov (United States)

    Butler, Reni S; Chen, Christine; Vashi, Reena; Hooley, Regina J; Philpotts, Liane E

    2013-08-28

    To compare 3.0 Tesla (T) vs 1.5T magnetic resonance (MR) imaging systems in newly diagnosed breast cancer patients. Upon Institutional Review Board approval, a Health Insurance Portability and Accountability Act-compliant retrospective review of 147 consecutive 3.0T MR examinations and 98 consecutive 1.5T MR examinations in patients with newly diagnosed breast cancer between 7/2009 and 5/2010 was performed. Eleven patients who underwent neoadjuvant chemotherapy in the 3.0T group were excluded. Mammographically occult suspicious lesions (BIRADS Code 4 and 5) additional to the index cancer in the ipsilateral and contralateral breast were identified. Lesion characteristics and pathologic diagnoses were recorded, and results achieved with both systems compared. Statistical significance was analyzed using Fisher's exact test. In the 3.0T group, 206 suspicious lesions were identified in 55% (75/136) of patients and 96% (198/206) of these lesions were biopsied. In the 1.5T group, 98 suspicious lesions were identified in 53% (52/98) of patients and 90% (88/98) of these lesions were biopsied. Biopsy results yielded additional malignancies in 24% of patients in the 3.0T group vs 14% of patients in the 1.5T group (33/136 vs 14/98, P = 0.07). Average size and histology of the additional cancers was comparable. Of patients who had a suspicious MR imaging study, additional cancers were found in 44% of patients in the 3.0T group vs 27% in the 1.5T group (33/75 vs 14/52, P = 0.06), yielding a higher positive predictive value (PPV) for biopsies performed with the 3.0T system. 3.0T MR imaging detected more additional malignancies in patients with newly diagnosed breast cancer and yielded a higher PPV for biopsies performed with the 3.0T system.

  6. Structure and Function of Microbial Metal-Reduction Proteins

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Ying; Crawford, Oakly H.; Xu, Dong; Larimer, Frank W.; Uberbacher, Edward C.; Zhou, Jizhong

    2009-09-02

    In this project, we proposed (i) identification of metal-reduction genes, (ii) development of new threading techniques and (iii) fold recognition and structure prediction of metal-reduction proteins. However, due to the reduction of the budget, we revised our plan to focus on two specific aims of (i) developing a new threading-based protein structure prediction method, and (ii) developing an expert system for protein structure prediction.

  7. Microstructure and mechanical properties of newly developed aluminum–lithium alloy 2A97 welded by fiber laser

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Banglong [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials Ministry of Education, Shandong University, Jinan 250061 (China); Qin, Guoliang, E-mail: glqin@sdu.edu.cn [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials Ministry of Education, Shandong University, Jinan 250061 (China); Meng, Xiangmeng; Ji, Yang; Zou, Yong [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials Ministry of Education, Shandong University, Jinan 250061 (China); Lei, Zhen [Harbin Welding Institute, Harbin 150028 (China)

    2014-11-03

    The newly developed aluminum–lithium alloy 2A97 was for the first time joined by laser beam welding in order to meet the ever-increased long-term requirements of aerospace, aviation and armament industries. The weld appearance, microstructure, solute segregation, precipitate behavior, and their relationships with mechanical properties of welded joints were investigated. Sound joints with no crack and a few small porosities are obtained under appropriate heat inputs. As a result of heterogeneous nucleation involving the effect of Zr and Li, a non-dendritic equiaxed zone forms between partially melted zone and fusion zone. The crystal morphologies in fusion zone vary from columnar dendrite to equiaxed dendrite, with the increase of constitutional supercooling. Solute segregation leads to the variations of Cu content in grain interior and boundary, as well as the weak ability of re-precipitation of fusion zone. Most precipitates in the base metal dissolve during welding, and fusion zone contains a decreased quantity of δ′, β′, θ′, and T{sub 1}. The ultimate tensile strength of laser welded joints is 83.4% of that of the base metal, and can meet the application requirements from related industries, but the ductility still needs to be improved. Welding defects and loss of solid solution/precipitation hardened structure lead to the degradation of mechanical properties. Tensile fracture occurs in weld with the brittle intergranular dominated mode and premature failure occurs and extends in the equiaxed zone.

  8. Metallic bonding and cluster structure

    Energy Technology Data Exchange (ETDEWEB)

    Soler, Jose M. [Department of Physics, Lyman Laboratory, Harvard University, Cambridge, Massachusetts 02138 (United States); Departamento de Fisica de la Materia Condensada, Universidad Autonoma de Madrid, E-28049 Madrid, (Spain); Beltran, Marcela R. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, Mexico Distrito Federal, 01000 Mexico (Mexico); Michaelian, Karo [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Mexico Distrito Federal, 01000 Mexico (Mexico); Garzon, Ignacio L. [Departamento de Fisica de la Materia Condensada, Universidad Autonoma de Madrid, E-28049 Madrid, (Spain); Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Mexico Distrito Federal, 01000 Mexico (Mexico); Ordejon, Pablo [Institut de Ciencia de Materials de Barcelona-CSIC, Campus de la U.A.B., 08193 Bellaterra, Barcelona, (Spain); Sanchez-Portal, Daniel [Department of Physics and Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States); Artacho, Emilio [Departamento de Fisica de la Materia Condensada, Universidad Autonoma de Madrid, E-28049 Madrid, (Spain)

    2000-02-15

    Knowledge of the structure of clusters is essential to predict many of their physical and chemical properties. Using a many-body semiempirical Gupta potential (to perform global minimizations), and first-principles density functional calculations (to confirm the energy ordering of the local minima), we have recently found [Phys. Rev. Lett. 81, 1600 (1998)] that there are many intermediate-size disordered gold nanoclusters with energy near or below the lowest-energy ordered structure. This is especially surprising because we studied ''magic'' cluster sizes, for which very compact-ordered structures exist. Here, we show how the analysis of the local stress can be used to understand the physical origin of this amorphization. We find that the compact ordered structures, which are very stable for pair potentials, are destabilized by the tendency of metallic bonds to contract at the surface, because of the decreased coordination. The amorphization is also favored by the relatively low energy associated to bondlength and coordination disorder in metals. Although these are very general properties of metallic bonding, we find that they are especially important in the case of gold, and we predict some general trends in the tendency of metallic clusters towards amorphous structures. (c) 2000 The American Physical Society.

  9. Self-Efficacy in Newly-Hired Child Welfare Workers

    OpenAIRE

    Donna Cherry; Bruce Dalton; Angela Dugan

    2014-01-01

    Child abuse and neglect in the United States resulted in 676,569 reports in 2011 (U.S. Dept. of Health and Human Services, 2012). Workers in this field struggle with low pay, high caseloads, inadequate training and supervision, and risk of violence, all of which contribute to worker burnout and poor worker retention rates. Worker self-efficacy is predictive of worker retention, job performance, and persistence in this difficult field. This paper reports the development of a new measure of sel...

  10. Metal-phosphate binders

    Science.gov (United States)

    Howe, Beth Ann [Lewistown, IL; Chaps-Cabrera, Jesus Guadalupe [Coahuila, MX

    2009-05-12

    A metal-phosphate binder is provided. The binder may include an aqueous phosphoric acid solution, a metal-cation donor including a metal other than aluminum, an aluminum-cation donor, and a non-carbohydrate electron donor.

  11. Antioxidant activity of newly discovered lineage of marine actinobacteria.

    Science.gov (United States)

    Karthik, Loganathan; Kumar, Gaurav; Bhaskara Rao, Kokati Venkata

    2013-04-13

    To investigate the antioxidant activity of marine actinobacteria. The content of total phenolics, the level of antioxidant potential by DPPH radical scavenging activity, metal chelating activity, FRAP method, β carotene assay and NO scavenging activity in extract were determined. In all the methods the extract exhibited good scavenging activity except NO scavenging activity. The IC(50) values of marine actinobacteria extract on DPPH radical were found to be 41.09 μg/mL. The zone of color retention was 12 mm in β-carotene bleaching assay. DNA protective efficiency of the extracts was also studied using UV-photolysed H(2)O(2)-driven oxidative damage to pBR322. HPLC analysis identified some of the major phenolic compounds in extracts, which might be responsible for the antioxidant potential and cyto-protection. It showed a 100% cytotoxic effect in brine shrimp lethality assay within 10 mins. The novel actinobacteria was identified as Streptomyces LK-3 (JF710608) through 16S rDNA Sequencing. The results obtained suggest that the extracts bear anti-cancer metabolites and could be considered as a potential source for anti-cancer drug development. Copyright © 2013 Hainan Medical College. Published by Elsevier B.V. All rights reserved.

  12. A newly found cadmium accumulator-Malva sinensis Cavan

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Shirong, E-mail: rsz01@163.com [College of Resources and Environment, Sichuan Agricultural University, 46 Xinkang Road, Yaan 625014 (China); Chen Mingying; Li Ting; Xu Xiaoxun; Deng Liangji [College of Resources and Environment, Sichuan Agricultural University, 46 Xinkang Road, Yaan 625014 (China)

    2010-01-15

    Screening hyperaccumulators and accumulators is a key step in the phytoremediation of soils contaminated by heavy metals. A pot experiment was conducted involving a soil Cd concentration gradient (0, 50, 75, 100, 125, 150, 175, and 200 mg kg{sup -1}) to determine if Malva sinensis Cavan. from two lead-zinc mines in Kangding and Yajiang in western Sichuan, China, is a Cd-hyperaccumulator. The highest Cd concentrations in plant shoots from Kangding and Yajiang were 154.30 and 122.77 mg kg{sup -1}, respectively, at a soil Cd concentration of 200 mg kg{sup -1}. The largest amounts of accumulation in plant shoots from Kangding and Yajiang were 700.5 and 1403.2 {mu}g pot{sup -1}, respectively. The bioconcentration factors in shoots were 0.53-1.03 for Kangding and 0.69-1.25 for Yajiang. Moreover, all translocation factors of plants from the two sites were over 1.0. Therefore, M. sinensis can be classified as a Cd-accumulator or non-standard Cd-hyperaccumulator.

  13. Micromechanics Modeling of Fracture in Nanocrystalline Metals

    Science.gov (United States)

    Glaessgen, E. H.; Piascik, R. S.; Raju, I. S.; Harris, C. E.

    2002-01-01

    Nanocrystalline metals have very high theoretical strength, but suffer from a lack of ductility and toughness. Therefore, it is critical to understand the mechanisms of deformation and fracture of these materials before their full potential can be achieved. Because classical fracture mechanics is based on the comparison of computed fracture parameters, such as stress intlmsity factors, to their empirically determined critical values, it does not adequately describe the fundamental physics of fracture required to predict the behavior of nanocrystalline metals. Thus, micromechanics-based techniques must be considered to quanti@ the physical processes of deformation and fracture within nanocrystalline metals. This paper discusses hndamental physicsbased modeling strategies that may be useful for the prediction Iof deformation, crack formation and crack growth within nanocrystalline metals.

  14. Relationship between Waist Circumference and Elevation of Carotid Intima-media Thickness in Newly-diagnosed Diabetic Patients

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lei; JIA Wei Ping; SHEN Yun; ZHOU Jian; PAN Jie Min; YU Hao Yong; CHEN Hai Bing; LI Qing; LI Ming; BAO Yu Qian

    2014-01-01

    Objective Waist circumference, as a brief indicator of visceral obesity, is associated with multi-metabolic disorders and cardiovascular diseases. The present study was aimed to find out the relationship between waist circumference and carotid intima media thickness (C-IMT), as well as the best waist circumference cutoff for identifying C-IMT elevation in Chinese male patients with newly-diagnosed diabetes. Methods Five hundred and seventy-eight patients from Department of Endocrinology and Metabolism in Shanghai Sixth People’s Hospital affiliated to Shanghai Jiao Tong University were enrolled. Both physical examination (for measurement of waist circumference) and carotid ultrasonography (for measurement of C-IMT) were performed. Results After grouping according to the quartiles of C-IMT, the waist circumference increased across all its quartiles. The waist circumference in 3rd and 4th quartiles (90.7±9.8 cm and 90.8±9.6 cm) was significant higher than in 1st and 2nd quartiles (P Conclusion Among newly-diagnosed diabetic male patients, waist circumference over 90 cm not only reflects sub-clinical atherosclerosis in early stage, but also predicts the progression of atherosclerosis.

  15. Nuclear magnetic resonance lipoprotein abnormalities in newly-diagnosed type 2 diabetes and their association with preclinical carotid atherosclerosis.

    Science.gov (United States)

    Amor, Antonio J; Catalan, Marta; Pérez, Antonio; Herreras, Zoe; Pinyol, Montserrat; Sala-Vila, Aleix; Cofán, Montserrat; Gilabert, Rosa; Ros, Emilio; Ortega, Emilio

    2016-04-01

    Atherogenic dyslipidemia is common in type 2 diabetes (T2DM) and predicts cardiovascular disease, but information on the association of its components with atherosclerosis is scarce. We aimed to assess differences in the lipoprotein profile in newly-diagnosed T2DM and matched control individuals and their associations with preclinical carotid atherosclerosis. In a case-control study, we evaluated lipoprotein profiles by nuclear magnetic resonance (NMR) spectroscopy and determined carotid intima-media thickness (IMT) and plaque presence (IMT ≥1.5 mm) by B-mode ultrasonography. We assessed 96 T2DM patients (median age 63 years, 44% women, 19% smokers, 54% hypertension, 38% dyslipidemia) and 90 non-diabetic controls matched for age, sex, and cardiovascular risk factors. In T2DM VLDL-particles (mainly large and enriched in cholesterol and triglycerides) were increased, and large HDL-particles (enriched in triglycerides and depleted in cholesterol) were reduced (p lipoprotein profile identifies lipid abnormalities associated with newly-diagnosed T2DM and preclinical atherosclerosis that are not captured by the traditional lipid profile. At this early stage of diabetes, NMR lipoproteins could be useful to identify candidates for a more comprehensive cardiovascular risk prevention strategy. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  16. Study of Plant Cell Wall Polymers Affected by Metal Accumulation Using Stimulated Raman Scattering Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Shi-You [Harvard Univ., Cambridge, MA (United States)

    2015-03-02

    This project aims to employ newly-developed chemical imaging techniques to measure, in real-time, the concentration, dynamics and spatial distribution of plant cell wall polymers during biomass growth with inoculation of transgenic symbiotic fungi, and to explore a new pathway of delivering detoxified metal to plant apoplast using transgenic symbiotic fungi, which will enhance metal accumulation from soil, and potentially these metals may in turn be used as catalysts to improve the efficiency of biomass conversion to biofuels. The proposed new pathway of biomass production will: 1) benefit metal and radionuclide contaminant mobility in subsurface environments, and 2) potentially improve biomass production and process for bioenergy

  17. Recycling of Metals

    DEFF Research Database (Denmark)

    Damgaard, Anders; Christensen, Thomas Højlund

    2011-01-01

    appliances, vehicles and buildings, containing iron and aluminium metals, have long lifetimes before they end up in the waste stream. The recycling of production waste and postconsumer metals has a long history in the metal industry. Some metal smelters are today entirely based on scarp metals. This chapter...... describes briefly how iron and aluminium are produced and how scrap metal is recycled in the industry. Quality requirements and use of recycled products are discussed, as are the resource and environmental issues of metal recycling. Copper and other metals are also found in waste but in much smaller...

  18. Predicting Macrosomia

    National Research Council Canada - National Science Library

    Pates, Jason A; McIntire, Donald D; Casey, Brian M; Leveno, Kenneth J

    2008-01-01

    Objective. The purpose of this study was to evaluate the prediction of fetal macrosomia based on ultrasound estimates of fetal weight and amniotic fluid volume combined with clinical risk factors. Methods...

  19. Metallic hydrogen research

    Energy Technology Data Exchange (ETDEWEB)

    Burgess, T.J.; Hawke, R.S.

    1978-11-16

    Theoretical studies predict that molecular hydrogen can be converted to the metallic phase at very high density and pressure. These conditions were achieved by subjecting liquid hydrogen to isentropic compression in a magnetic-flux compression device. Hydrogen became electrically conducting at a density of about 1.06 g/cm/sup 3/ and a calculated pressure of about 2 Mbar. In the experimental device, a cylindrical liner, on implosion by high explosive, compresses a magnetic flux which in turn isentropically compresses a hydrogen sample; coaxial conical anvils prevent escape of the sample during compression. One anvil contains a coaxial cable that uses alumina ceramic as an insulator; this probe allows continuous measurement of the electrical conductivity of the hydrogen. A flash x-ray radiograph exposed during the experiment records the location of the sample-tube boundaries and permits calculation of the sample density. The theoretical underpinnings of the metallic transition of hydrogen are briefly summarized, and the experimental apparatus and technique, analytical methods, and results are described. 9 figures.

  20. Nodal-chain metals

    Science.gov (United States)

    Bzdušek, Tomáš; Wu, Quansheng; Rüegg, Andreas; Sigrist, Manfred; Soluyanov, Alexey A.

    2016-10-01

    The band theory of solids is arguably the most successful theory of condensed-matter physics, providing a description of the electronic energy levels in various materials. Electronic wavefunctions obtained from the band theory enable a topological characterization of metals for which the electronic spectrum may host robust, topologically protected, fermionic quasiparticles. Many of these quasiparticles are analogues of the elementary particles of the Standard Model, but others do not have a counterpart in relativistic high-energy theories. A complete list of possible quasiparticles in solids is lacking, even in the non-interacting case. Here we describe the possible existence of a hitherto unrecognized type of fermionic excitation in metals. This excitation forms a nodal chain—a chain of connected loops in momentum space—along which conduction and valence bands touch. We prove that the nodal chain is topologically distinct from previously reported excitations. We discuss the symmetry requirements for the appearance of this excitation and predict that it is realized in an existing material, iridium tetrafluoride (IrF4), as well as in other compounds of this class of materials. Using IrF4 as an example, we provide a discussion of the topological surface states associated with the nodal chain. We argue that the presence of the nodal-chain fermions will result in anomalous magnetotransport properties, distinct from those of materials exhibiting previously known excitations.