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Sample records for properties important reaction

  1. Electro-induced reactions of biologically important molecules

    International Nuclear Information System (INIS)

    Kocisek, J.

    2010-01-01

    The thesis presents the results of research activities in the field of electron interactions with biologically relevant molecules which was carried out during my PhD studies at the Department of Experimental Physics, Comenius University in Bratislava. Electron induced interactions with biologically relevant molecules were experimentally studied using crossed electron-molecule beams experiment. The obtained results, were presented in four publications in international scientific journals. First study of deals with electron impact ionisation of furanose alcohols [see 1. in list of author publications on page 22]. It has been motivated by most important works in the field of electron induced damages of DNA bases [4]. Studied 3-hydroxytetrahydrofuran and tetrahydrofurfuryl alcohol, are important model molecules for more complex biological systems (e.g. deoxyribose).The influence of hydroxyl group on stabilisation of the positive ions of the molecules, together with the stability of furan ring in ionized form are main themes of the study. The studies of small amides and aminoacids are connected to scientific studies in the field of formation of the aminoacids and other biologically relevant molecules in space and works trying to explain electron induced processes in more complex molecules[12, 13, 24]. The most important results were obtained for aminoacid Serine [see 2. in list of author publications on page 22]. We have showed that additional OH group of Serine considerably lower the reaction enthalpy limit of reactions resulting to formation of neutral water molecules, in comparison to other amino acids. Also the study of (M-H)- reaction channel using the electron beam with FWHM under 100 meV is of high importance in the field. The last part of the thesis is focused on the electron interactions with organosilane compounds. Materials prepared from organosilane molecules in plasmas have wide range of applications in both biology and medicine. We have studied electron

  2. Bimetallic Catalysts Containing Gold and Palladium for Environmentally Important Reactions

    Directory of Open Access Journals (Sweden)

    Ahmad Alshammari

    2016-07-01

    Full Text Available Supported bimetallic nanoparticles (SBN are extensively used as efficient redox catalysts. This kind of catalysis particularly using SBN has attracted immense research interest compared to their parent metals due to their unique physico-chemical properties. The primary objective of this contribution is to provide comprehensive overview about SBN and their application as promising catalysts. The present review contains four sections in total. Section 1 starts with a general introduction, recent progress, and brief summary of the application of SBN as promising catalysts for different applications. Section 2 reviews the preparation and characterization methods of SBN for a wide range of catalytic reactions. Section 3 concentrates on our own results related to the application of SBN in heterogeneous catalysis. In this section, the oxidation of cyclohexane to adipic acid (an eco-friendly and novel approach will be discussed. In addition, the application of bimetallic Pd catalysts for vapor phase toluene acetoxylation in a fixed bed reactor will also be highlighted. Acetoxylation of toluene to benzyl acetate is another green route to synthesize benzyl acetate in one step. Finally, Section 4 describes the summary of the main points and also presents an outlook on the application of SBN as promising catalysts for the production of valuable products.

  3. The study of thermodynamic properties and transport properties of multicomponent systems with chemical reactions

    Directory of Open Access Journals (Sweden)

    Samujlov E.

    2013-04-01

    Full Text Available In case of system with chemical reaction the most important properties are heat conductivity and heat capacity. In this work we have considered the equation for estimate the component of these properties caused by chemical reaction and ionization processes. We have evaluated the contribution of this part in heat conductivity and heat capacity too. At the high temperatures contribution in heat conductivity from ionization begins to play an important role. We have created a model, which describe partial and full ionization of gases and gas mixtures. In addition, in this work we present the comparison of our result with experimental data and data from numerical simulation. We was used the data about transport properties of middle composition of Russian coals and the data of thermophysical properties of natural gas for comparison.

  4. Important physical properties of peat materials

    Science.gov (United States)

    D.H. Boelter

    1968-01-01

    Peat materials from 12 bogs in northern Minnesota, U.S.A., showed significant differences in physical properties. It is pointed out that 1) these properties can be related to the hydrology of organic soils only if the soils represent undisturbed field conditions, and 2) volumetric expressions of water content are necessary to correctly evaluate the amount of water in a...

  5. Site selectivity of specific reaction steps important for catalysis

    DEFF Research Database (Denmark)

    Nielsen, Kenneth

    ) overlayer system. In the STM study of the structure sensitivity of the CO dissociation reaction on the Ru(0 1 54) sample, it was determined that after cooling the sample from 700K to 400K in 10-8Torr of CO or in the CO that was left after a TPD, the sample displayed periodic decorations on every other...... site, is the most stable conguration after dissociation. Preliminary results where the sample was exposed to high doses of CO, at a CO pressure of 10-5 Torr and a temperature of 550K (dissociation conditions) indicated that especially every other step had a very rough appearance after 7 min exposure...

  6. Statistical properties of deep inelastic reactions

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1983-08-01

    The multifaceted aspects of deep-inelastic heavy-ion collisions are discussed in terms of the statistical equilibrium limit. It is shown that a conditional statistical equilibrium, where a number of degrees of freedom are thermalized while others are still relaxing, prevails in most of these reactions. The individual degrees of freedom that have been explored experimentally are considered in their statistical equilibrium limit, and the extent to which they appear to be thermalized is discussed. The interaction between degrees of freedom on their way towards equilibrium is shown to create complex feedback phenomena that may lead to self-regulation. A possible example of self-regulation is shown for the process of energy partition between fragments promoted by particle exchange. 35 references

  7. Probing properties of neutron stars with terrestrial nuclear reactions

    International Nuclear Information System (INIS)

    Li Baoan; Chen Liewen; Ko, C.M.; Steiner, Andrew W.; Yong Gaochan

    2006-01-01

    Heavy-ion reactions induced by neutron-rich nuclei provide the unique opportunity in terrestrial laboratories to constrain the nuclear symmetry energy Esym in a broad density range. A conservative constraint, 32(ρ/ρ0)0.7 < Esym(ρ) < 32(ρ/ρ0)1.1, around the nuclear matter saturation density ρ0 has recently been obtained from analyzing the isospin diffusion data within a transport model for intermediate energy heavy-ion reactions. This subsequently puts a stringent constraint on properties of neutron stars, especially their radii and cooling mechanisms

  8. Properties Important To Mixing For WTP Large Scale Integrated Testing

    International Nuclear Information System (INIS)

    Koopman, D.; Martino, C.; Poirier, M.

    2012-01-01

    Large Scale Integrated Testing (LSIT) is being planned by Bechtel National, Inc. to address uncertainties in the full scale mixing performance of the Hanford Waste Treatment and Immobilization Plant (WTP). Testing will use simulated waste rather than actual Hanford waste. Therefore, the use of suitable simulants is critical to achieving the goals of the test program. External review boards have raised questions regarding the overall representativeness of simulants used in previous mixing tests. Accordingly, WTP requested the Savannah River National Laboratory (SRNL) to assist with development of simulants for use in LSIT. Among the first tasks assigned to SRNL was to develop a list of waste properties that matter to pulse-jet mixer (PJM) mixing of WTP tanks. This report satisfies Commitment 5.2.3.1 of the Department of Energy Implementation Plan for Defense Nuclear Facilities Safety Board Recommendation 2010-2: physical properties important to mixing and scaling. In support of waste simulant development, the following two objectives are the focus of this report: (1) Assess physical and chemical properties important to the testing and development of mixing scaling relationships; (2) Identify the governing properties and associated ranges for LSIT to achieve the Newtonian and non-Newtonian test objectives. This includes the properties to support testing of sampling and heel management systems. The test objectives for LSIT relate to transfer and pump out of solid particles, prototypic integrated operations, sparger operation, PJM controllability, vessel level/density measurement accuracy, sampling, heel management, PJM restart, design and safety margin, Computational Fluid Dynamics (CFD) Verification and Validation (V and V) and comparison, performance testing and scaling, and high temperature operation. The slurry properties that are most important to Performance Testing and Scaling depend on the test objective and rheological classification of the slurry (i

  9. PROPERTIES IMPORTANT TO MIXING FOR WTP LARGE SCALE INTEGRATED TESTING

    Energy Technology Data Exchange (ETDEWEB)

    Koopman, D.; Martino, C.; Poirier, M.

    2012-04-26

    Large Scale Integrated Testing (LSIT) is being planned by Bechtel National, Inc. to address uncertainties in the full scale mixing performance of the Hanford Waste Treatment and Immobilization Plant (WTP). Testing will use simulated waste rather than actual Hanford waste. Therefore, the use of suitable simulants is critical to achieving the goals of the test program. External review boards have raised questions regarding the overall representativeness of simulants used in previous mixing tests. Accordingly, WTP requested the Savannah River National Laboratory (SRNL) to assist with development of simulants for use in LSIT. Among the first tasks assigned to SRNL was to develop a list of waste properties that matter to pulse-jet mixer (PJM) mixing of WTP tanks. This report satisfies Commitment 5.2.3.1 of the Department of Energy Implementation Plan for Defense Nuclear Facilities Safety Board Recommendation 2010-2: physical properties important to mixing and scaling. In support of waste simulant development, the following two objectives are the focus of this report: (1) Assess physical and chemical properties important to the testing and development of mixing scaling relationships; (2) Identify the governing properties and associated ranges for LSIT to achieve the Newtonian and non-Newtonian test objectives. This includes the properties to support testing of sampling and heel management systems. The test objectives for LSIT relate to transfer and pump out of solid particles, prototypic integrated operations, sparger operation, PJM controllability, vessel level/density measurement accuracy, sampling, heel management, PJM restart, design and safety margin, Computational Fluid Dynamics (CFD) Verification and Validation (V and V) and comparison, performance testing and scaling, and high temperature operation. The slurry properties that are most important to Performance Testing and Scaling depend on the test objective and rheological classification of the slurry (i

  10. Influence of reaction conditions and feedstock on hydrochar properties

    International Nuclear Information System (INIS)

    Guo, Shuqing; Dong, Xiangyuan; Wu, Tingting; Zhu, Caixia

    2016-01-01

    Highlights: • Models of hydrochar properties were established based on severity parameter. • Derivative methods were used to study the variation of hydrochar properties. • Water to biomass ratio has a significant effect on the hydrochar yield. • The curves of hydrochar properties can be divided into three stages. • The maximum variation rate of hydrochar properties for six samples is at severity of 5.8–6.4. - Abstract: Hydrothermal carbonization (HTC) is a biomass conversion process to produce a renewable solid fuel (hydrochar). The reaction conditions, such as temperature, time, and water/biomass ratio have key effects on hydrochar characteristics. However, it has not been fully investigated to establish and compare models of hydrochar properties (solid yield, carbon content and HHV) for different biomass HTC at different reaction conditions. These models and the corresponding analytical methods are favorable to optimize operating parameters and process design of HTC. In this work, HTC experiments from corn stalk, longan Shell and NaOH-pretreated longan Shell were carried out at 210 °C, 250 °C and 290 °C for 30 min, 240 min and 480 min with different water to biomass ratios. New models of the hydrochar properties of corn stalk, longan Shell and NaOH-pretreated longan Shell were established based on severity parameter (combined time and temperature) and dose-response function. Also, data of wood, olive stone and grape marc hydrochars (collected from literatures) were used for comparison. The first and second derivative methods were also employed to analyze and compare the variation of these hydrochar properties. The results showed that the hydrchar yield, carbon content, and HHV curves decrease monotonically and can be divided into three significant stages with increasing reaction severity. The water to biomass ratio has a significant effect on the hydrochar yield. With increasing the water to biomass ratio, both the maximum decrease rates and the

  11. Importance of the tensor interaction in the (/sup 7/Li, /sup 7/Be) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Dodd, A.C.; Clarke, N.M.; Coopersmith, J.; Griffiths, R.J.; Pearce, K.I.; Stanley, B.; Cook, J.

    1985-09-01

    Data for the /sup 28/Si(/sup 7/Li, /sup 7/Be)/sup 28/Al reaction at 72 MeV and for the /sup 26/Mg(/sup 7/Li, /sup 7/Be)/sup 26/Na reaction at 88 MeV are presented together with one-step DWBA calculations using microscopic form factors. The tensor interaction is shown to be important to explain the structureless nature of the angular distributions.

  12. The importance of the tensor interaction in the (7Li, 7Be) reaction

    International Nuclear Information System (INIS)

    Dodd, A.C.; Clarke, N.M.; Coopersmith, J.; Griffiths, R.J.; Pearce, K.I.; Stanley, B.; Cook, J.

    1985-01-01

    Data for the 28 Si( 7 Li, 7 Be) 28 Al reaction at 72 MeV and for the 26 Mg( 7 Li, 7 Be) 26 Na reaction at 88 MeV are presented together with one-step DWBA calculations using microscopic form factors. The tensor interaction is shown to be important to explain the structureless nature of the angular distributions. (author)

  13. Synthesis, Properties and Mineralogy of Important Inorganic Materials

    CERN Document Server

    Warner, Terence E

    2010-01-01

    Intended as a textbook for courses involving preparative solid-state chemistry, this book offers clear and detailed descriptions on how to prepare a selection of inorganic materials that exhibit important optical, magnetic and electrical properties, on a laboratory scale. The text covers a wide range of preparative methods and can be read as separate, independent chapters or as a unified coherent body of work. Discussions of various chemical systems reveal how the properties of a material can often be influenced by modifications to the preparative procedure, and vice versa. References to miner

  14. Environmental importance, composition and properties of pervious concrete

    Directory of Open Access Journals (Sweden)

    Topličić-Ćurčić Gordana

    2016-01-01

    Full Text Available Porous or pervious concrete was in use since the 60's of the previous century. It was first used in the USA and afterwards in Europe. The environmental importance of pervious concrete can be seen through fast collection of stormwater from the pavements, parking lots and other impervious surfaces. . Special purification systems remove the detrimental matter from the collected strormwater. As such, it can be used for other purposes. The pervious concrete has little or almost no fine aggregates. Its porosity is high, and ranges between 15 and 30 % in comparison to the concrete volume. Prior to massive usage of pervious concrete, it was necessary to prove, i.e. to examine its properties in service conditions. The paper elucidates the environmental character of pervious concrete, provides its usual composition and its properties.

  15. Insights into the importance of oxygen functional groups in carbon reactions with oxygen containing gases

    International Nuclear Information System (INIS)

    John Zhu, Max Lu

    2005-01-01

    The role of pore structure of carbon in carbon-related adsorptions and reactions has been extensively investigated. However the studies on the role of surface chemistry of carbon are limited. In this paper, we present the importance of oxygen functional groups in carbon reactions with oxygen-containing gases. It is found that there is a good correlation between the electronic structures and reactivities of carbon edge sites. Zigzag sites are more active in oxygen adsorption because of the unpaired electrons and armchair sites are less active in oxygen adsorption due to the triple character. However, the desorption of semi-quinone oxygen from zigzag sites needs a bond energy ca. 30% higher than that of o-quinone oxygen from armchair edge sites. CO 2 and H 2 O adsorb on carbon surface much less favorably than O 2 . H 2 O is first physically adsorbed on the virgin graphite surface followed by chemisorption through oxygen atom approaching the carbon edge site and the movements of two hydrogen atoms to produce H 2 . The adsorption mechanism of H 2 O is different from that for CO 2 , but the final result is quite similar, i.e. producing only semi-quinone oxygen. Based upon the above studies, a new generalized mechanism, as shown in Fig. 1, is developed and can account for all the important kinetic phenomena of carbon-gas reactions. The key point is that in CO 2 /H 2 O-carbon reaction only semi-quinone formed; while, in O 2 -carbon reaction, semi-quinone, o-quinone (at lower pressure), and off-plane epoxy oxygen (at relatively higher pressure) can be formed. This is the main reason for the different reaction kinetics of O 2 -carbon reaction and CO 2 /H 2 O-carbon reactions as observed experimentally. The oxygen functional groups of carbon can be characterized by XPS, PZC (point of zero charge), IEP (isoelectric point) and TPD (temperature-programmed desorption), which were used in our previous studies. We treated the carbon surface with different acids, finding that HNO 3

  16. Tattoo-Associated Skin Reaction: The Importance of an Early Diagnosis and Proper Treatment

    Science.gov (United States)

    Bassi, Andrea; Campolmi, Piero; Cannarozzo, Giovanni; Conti, Rossana; Bruscino, Nicola; Gola, Massimo; Ermini, Stefano; Massi, Daniela; Moretti, Silvia

    2014-01-01

    Tattoo is going to be a very common practice especially among young people and we are witnessing a gradual increase of numerous potential complications to tattoo placement which are often seen by physicians, but generally unknown to the public. The most common skin reactions to tattoo include a transient acute inflammatory reaction due to trauma of the skin with needles and medical complications such as superficial and deep local infections, systemic infections, allergic contact dermatitis, photodermatitis, granulomatous and lichenoid reactions, and skin diseases localized on tattooed area (eczema, psoriasis, lichen, and morphea). Next to these inflammatory skin reactions we have to consider also the possibility of the development of cutaneous conditions such as pseudolymphomatous reactions and pseudoepitheliomatous hyperplasia. The aim of this study is to underline the importance of an early diagnosis by performing a histological examination especially when we are in front of suspected papulonodular lesions arising from a tattoo, followed by a proper treatment, since cutaneous neoplastic evolution is known to be a rare but possible complication. PMID:25147796

  17. Fluorescent Carbon Dots Derived from Maillard Reaction Products: Their Properties, Biodistribution, Cytotoxicity, and Antioxidant Activity.

    Science.gov (United States)

    Li, Dongmei; Na, Xiaokang; Wang, Haitao; Xie, Yisha; Cong, Shuang; Song, Yukun; Xu, Xianbing; Zhu, Bei-Wei; Tan, Mingqian

    2018-02-14

    Food-borne nanoparticles have received great attention because of their unique physicochemical properties and potential health risk. In this study, carbon dots (CDs) formed during one of the most important chemical reactions in the food processing field, the Maillard reaction from the model system including glucose and lysine, were investigated. The CDs purified from Maillard reaction products emitted a strong blue fluorescence under ultraviolet light with a fluorescent quantum yield of 16.30%. In addition, they were roughly spherical, with sizes of around 4.3 nm, and mainly composed of carbon, oxygen, hydrogen, and nitrogen. Their surface groups such as hydroxyl, amino, and carboxyl groups were found to possibly enable CDs to scavenge DPPH and hydroxyl radicals. Furthermore, the cytotoxicity assessment of CDs showed that they could readily enter HepG2 cells while causing negligible cell death at low concentration. However, high CDs concentrations were highly cytotoxic and led to cell death via interference of the glycolytic pathway.

  18. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes?

    Science.gov (United States)

    Walavalkar, M P; Vijayakumar, S; Sharma, A; Rajakumar, B; Dhanya, S

    2016-06-23

    The relative yields of products of the reaction of Cl atoms with 1-alkenes (C4-C9) were determined to see whether H atom abstraction is an important channel and if it is to identify the preferred position of abstraction. The presence of all the possible positional isomers of long chain alkenones and alkenols among the products, along with chloroketones and chloroalcohols, confirms the occurrence of H atom abstraction. A consistent pattern of distribution of abstraction products is observed with oxidation at C4 (next to allyl) being the lowest and that at CH2 groups away from the double bond being the highest. This contradicts with the higher stability of allyl (C3) radical. For a better understanding of the relative reactivity, ab initio calculations at MP2/6-311+G (d,p) level of theory are carried out in the case of 1-heptene. The total rate coefficient, calculated using conventional transition state theory, was found to be in good agreement with the experimental value at room temperature. The preferred position of Cl atom addition is predicted to be the terminal carbon atom, which matches with the experimental observation, whereas the rate coefficients calculated for individual channels of H atom abstraction do not explain the observed pattern of products. The distribution of abstraction products except at C4 is found to be better explained by reported structure activity relationship, developed from experimental rate coefficient data. This implies the reactions to be kinetically dictated and emphasizes the importance of secondary reactions.

  19. A survey of selected neutron-activation reactions with short-lived products of importance to fusion reactor technology

    International Nuclear Information System (INIS)

    Ward, R.C.; Gomes, I.C.; Smith, D.L.

    1994-11-01

    The status of the cross sections for production of short-lived radioactivities in the intense high-energy neutron fields associated with D-T fusion reactors is investigated. The main concerns relative to these very radioactive isotopes are with radiation damage to sensitive components such as superconducting magnets, the decay-heat problem and the safety of personnel during operation of the facility. The present report surveys the status of nuclear data required to assess these problems. The study is limited to a few high-priority nuclear reactions which appear to be of critical concern in this context. Other reactions of lesser concern are listed but are not treated in the present work. Among the factors that were considered in defining the relevant reactions and setting priorities are: quantities of the elemental materials in a fusion reactor, isotopic abundances within elemental categories, the decay properties of the induced radioactive byproducts, the reaction cross sections, and the nature of the decay radiations. Attention has been focused on radioactive species with half lives in the range from about 1 second to 15 minutes. Available cross-section and reaction-product decay information from the literature has been compiled and included in the report. Uncertainties have been estimated by examining several sets of experimental as well as evaluated data. Comments on the general status of data for various high-priority reactions are offered. On the basis of this investigation, it has been found that the nuclear data are in reasonably good shape for some of the most important reactions but are unacceptable for others. Based on this investigation, the reactions which should be given the greatest attention are: 16 O(n,p) 16 N, 55 Mn(n,p) 55 Cr, 57 Fe(n,p) 57 Mn, 186 W(n,2n) 185m W, and 207 Pb(n,n') 207m Pb. However, the development of fusion power would benefit from an across-the-board refinement in these nuclear data so that a more accurate quantitative

  20. The 152Sm(p,n) reaction and its astrophysical importance

    International Nuclear Information System (INIS)

    Pohl, Moritz

    2014-01-01

    Within the nucleosynthetic processes of the slow neutron-capture reaction network (called the s process) the so called branching points, unstable isotopes where different nuclear reactions are competing, are important to understand. For modeling and calculating the nucleosynthesis and compare the resulting abundances to the observed ones, it is indispensable to know the branching ratios as well as the corresponding cross sections. A great challenge in measuring those rates in experiments may be the radioactivity of the isotopes involved, which can make it nearly impossible to manufacture the needed targets. In addition, in stellar environments the excited states of isotopes can be in equilibrium with the ground state, affecting the half-lives and the branching ratios significantly. The isotope 152 Eu is such a branching point, with neutron captures and β-decays competing. Those challenges were approached in the s405 experiment performed at the GSI Helmholtzzentrum fuer Schwerionenforschung GmbH: the challenge the challenge of the radioactivity can be approached by experiments carried out in inverse kinematics with radioactive beams, solving the problem of unstable targets. Also a reversed reaction was used to access the excited states of the studied isotope. The performed 152 Sm(p,n) 152 Eu is a pioneering attempt to use those methods on heavy ions. The (p,n) reaction was used as a substitute for electron capture, the focus lies on reactions with low-momentum transfers, resulting in the emission of low-energy neutrons. The new developed low-energy detector array LENA was put to test for the fist time in the s405 experiment.

  1. Neighborhood properties are important determinants of temperature sensitive mutations.

    Directory of Open Access Journals (Sweden)

    Svetlana Lockwood

    Full Text Available Temperature-sensitive (TS mutants are powerful tools to study gene function in vivo. These mutants exhibit wild-type activity at permissive temperatures and reduced activity at restrictive temperatures. Although random mutagenesis can be used to generate TS mutants, the procedure is laborious and unfeasible in multicellular organisms. Further, the underlying molecular mechanisms of the TS phenotype are poorly understood. To elucidate TS mechanisms, we used a machine learning method-logistic regression-to investigate a large number of sequence and structure features. We developed and tested 133 features, describing properties of either the mutation site or the mutation site neighborhood. We defined three types of neighborhood using sequence distance, Euclidean distance, and topological distance. We discovered that neighborhood features outperformed mutation site features in predicting TS mutations. The most predictive features suggest that TS mutations tend to occur at buried and rigid residues, and are located at conserved protein domains. The environment of a buried residue often determines the overall structural stability of a protein, thus may lead to reversible activity change upon temperature switch. We developed TS prediction models based on logistic regression and the Lasso regularized procedure. Through a ten-fold cross-validation, we obtained the area under the curve of 0.91 for the model using both sequence and structure features. Testing on independent datasets suggested that the model predicted TS mutations with a 50% precision. In summary, our study elucidated the molecular basis of TS mutants and suggested the importance of neighborhood properties in determining TS mutations. We further developed models to predict TS mutations derived from single amino acid substitutions. In this way, TS mutants can be efficiently obtained through experimentally introducing the predicted mutations.

  2. Exchange reaction between hydrogen and deuterium. I. Importance of surface reactions in the steady-state mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Marteau, C; Gaillard-Cusin, F; James, H [Centre National de la Recherche Scientifique, 45 - Orleans-la-Source (France). Centre de Recherches sur la Chimie de Combustion et des Hautes Temperatures

    1978-05-01

    Investigation of heterogeneous initiation process of gas phase linear chain reactions is carried out through the study of H/sub 2/-D/sub 2/ exchange reaction. Experimental data under study concern mainly the stationary rate of HD formation and the prestationary proceeding. Steady-state method accounts for the first one of these data; it allows to clearly compare the wall process part to the part played by the homogeneous chain reaction towards HD formation. Activation energy of exchange elementary step between chemisorbed hydrogen (on silica) and gaseous deuterium has been evaluated: Esub(e1)=52+-1 Kcal/mole.

  3. Properties important for solid–liquid separations change during the enzymatic hydrolysis of pretreated wheat straw

    DEFF Research Database (Denmark)

    Weiss, Noah Daniel; Felby, Claus; Thygesen, Lisbeth Garbrecht

    2018-01-01

    Objectives The biochemical conversion of lignocellulosic biomass into renewable fuels and chemicals provides new challenges for industrial scale processes. One such process, which has received little attention, but is of great importance for efficient product recovery, is solid–liquid separations......, which may occur both after pretreatment and after the enzymatic hydrolysis steps. Due to the changing nature of the solid biomass during processing, the solid–liquid separation properties of the biomass can also change. The objective of this study was to show the effect of enzymatic hydrolysis...... of cellulose upon the water retention properties of pretreated biomass over the course of the hydrolysis reaction. Results Water retention value measurements, coupled with 1H NMR T2 relaxometry data, showed an increase in water retention and constraint of water by the biomass with increasing levels...

  4. Analytical applications of oscillatory chemical reactions: determination of some pharmaceuticaly and biologically important compounds

    Directory of Open Access Journals (Sweden)

    Pejić Nataša D.

    2012-01-01

    Full Text Available Novel analytical methods for quantitive determination of analytes based on perturbations of oscillatory chemical reactions realized under open reactor conditions (continuosly fed well stirred tank reactor, CSTR, have been developed in the past twenty years. The proposed kinetic methods are generally based on the ability of the analyzed substances to change the kinetics of the chemical reactions matrix. The unambiguous correlation of quantitative characteristics of perturbations, and the amount (concentration of analyte expressed as a regression equation, or its graphics (calibration curve, enable the determination of the unknown analyte concentration. Attention is given to the development of these methods because of their simple experimental procedures, broad range of linear regression ( 10-7 10-4 mol L-1 and low limits of detection of analytes ( 10-6 10-8 mol L1, in some cases even lower than 10-12 mol L-1. Therefore, their application is very convenient for routine analysis of various inorganic and organic compounds as well as gases. This review summarizes progress made in the past 5 years on quantitative determination of pharmaceutically and biologically important compounds.

  5. Detection of medically important Candida species by absolute quantitation real-time polymerase chain reaction.

    Science.gov (United States)

    Than, Leslie Thian Lung; Chong, Pei Pei; Ng, Kee Peng; Seow, Heng Fong

    2015-01-01

    The number of invasive candidiasis cases has risen especially with an increase in the number of immunosuppressed and immunocom promised patients. The early detection of Candida species which is specific and sensitive is important in determining the correct administration of antifungal drugs to patients. This study aims to develop a method for the detection, identification and quantitation of medically important Candida species through quantitative polymerase chain reaction (qPCR). The isocitrate lyase (ICL) gene which is not found in mammals was chosen as the target gene of real-time PCR. Absolute quantitation of the gene copy number was achieved by constructing the plasmid containing the ICL gene which is used to generate standard curve. Twenty fungal species, two bacterial species and human DNA were tested to check the specificity of the detection method. All eight Candida species were successfully detected, identified and quantitated based on the ICL gene. A seven-log range of the gene copy number and a minimum detection limit of 10(3) copies were achieved. A one-tube absolute quantification real-time PCR that differentiates medically important Candida species via individual unique melting temperature was achieved. Analytical sensitivity and specificity were not compromised.

  6. Preparation of nano-aluminum and studies on thermo-reaction properties

    International Nuclear Information System (INIS)

    Wei Sheng; Wang Chaoyang; Huang Yong; Wu Weidong; Tang Yongjian; Wei Jianjun

    2002-01-01

    The author presents the fabrication of nano-aluminum powders by evaporation-condensation method. The thermo gravimetric-differential scanning calorimetry technique is used to characterize the thermo-reaction properties between nano-aluminum powders and N 2 or Ar. The experiment results confirm the different thermo-reaction properties between block- and nano-aluminum

  7. Reconsidering the importance of interfacial properties in foam stability

    NARCIS (Netherlands)

    Wierenga, P.A.; Norel, van L.; Basheva, E.S.

    2009-01-01

    In food industry, protein isolates are often used to help in the formation and stabilisation of food foams. Subsequently there is great interest in (1) understanding the effect of processing parameters on the functional properties of the isolate, and (2) methods and techniques that can help to

  8. The important parameters of polyurethane's properties and preparation

    International Nuclear Information System (INIS)

    Rad, A.S.

    2009-01-01

    Polyurethane (PU) is a type of plastic rind is formed by reacting a polyol (a polymeric alcohol with more than. two reactive hydroxyl groups per molecule) with diisocyanates or polymeric isocyanate in the presence of suitable catalysts and additives. Variations in the number of substitutions and the spacing between and within branch chains produce PUs ranging from linear to branched and flexible to rigid. Linear PUs are used for the manufacture of fibers and molding. The structure of polyurethane can be medley containing 'hard' and 'soft' sect, which contribute to the harmony between rigid and elastomeric properties. The chemical composition and molecular weight distribution (MWD)- of the incorporated soft block influence the macroscopic properties of the resulting coating. In modifying the backbone structure of PU coatings it is necessary to consider the end use for the coating and the cost of modification: The properties of the modified PU coating, The resistance of the coating towards mechanical and The compatibility of the coating and the substrate over the temperature range of expected application and The between the benefits to be gained and the additional cost are the parameters that must be A surface functionalization of a synthetic polyurethane was carried out by using biofunctional moieties to obtain a material with the appropriate mechanical properties and processing conditions. (author)

  9. Laser Kinetic Spectroscopic Studies of (a) The Unimolecular Reactions of Nitroalkanes and, (b) Elementary Reactions Important in Combustion.

    Science.gov (United States)

    1981-08-31

    4, and F. Reislor and C. Wittig, J. Che.:,. Phys. 69 (1978) 3729. 17. G. flerzborg, Molecular Spectra andri3 Iolcul ’r StrulCt e, Vol-. 1, Spe~ctra... emision from reaction (1) vs 02 pressure. C2 1" was gencr~ted by : C2 HCHO photolysis at 193 nm; /k C2! 2 photo~ysis at 193 ni; [J C2 fBr photolysis at

  10. Influence of additives on microstructures, mechanical properties and shock-induced reaction characteristics of Al/Ni composites

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Wei; Zhang, Xianfeng, E-mail: lynx@mail.njust.edu.cn; Wu, Yang; He, Yong; Wang, Chuanting; Guo, Lei

    2015-11-05

    Granular composites containing aluminum (Al) and nickel (Ni) are typical structural energetic materials, which possess ideal combination of both mechanical properties and energy release capability. The influence of two additives, namely Teflon (PTFE) and copper (Cu), on mechanical properties and shock-induced chemical reaction (SICR) characteristics of Al/Ni material system has been investigated. Three composites, namely Al/Ni, Al/Ni/PTFE and Al/Ni/Cu with same volumetric ratio of Al powder to Ni powder, were processed by means of static pressing. Scanning electron microscopy was used to study the microstructure of the mentioned three composites. Quasi static compression tests were also conducted to determine the mechanical properties and fracture behavior of the mentioned three composites. It was shown that the additives affected both compressive strength and fracture mode of the three composites. Impact initiation experiments on the mentioned three composites were performed to determine their shock-induced chemical reaction characteristics by considering pressure histories measured in the test chamber. The experimental results showed that the additives had significant effects on critical initiation velocity, reaction rate, reaction efficiency and post-reaction behavior. - Highlights: • .Al/Ni, Al/Ni/PTFE and Al/Ni/Cu were processed by means of static pressing. • .Microstructures, mechanical properties and shock-induced reactions were studied. • .Microstructures affect both compressive strength and fracture mode. • .Impact velocity is an important factor in shock-induced chemical characteristics. • .Each additive has significant effects on energy release behavior.

  11. Influence of additives on microstructures, mechanical properties and shock-induced reaction characteristics of Al/Ni composites

    International Nuclear Information System (INIS)

    Xiong, Wei; Zhang, Xianfeng; Wu, Yang; He, Yong; Wang, Chuanting; Guo, Lei

    2015-01-01

    Granular composites containing aluminum (Al) and nickel (Ni) are typical structural energetic materials, which possess ideal combination of both mechanical properties and energy release capability. The influence of two additives, namely Teflon (PTFE) and copper (Cu), on mechanical properties and shock-induced chemical reaction (SICR) characteristics of Al/Ni material system has been investigated. Three composites, namely Al/Ni, Al/Ni/PTFE and Al/Ni/Cu with same volumetric ratio of Al powder to Ni powder, were processed by means of static pressing. Scanning electron microscopy was used to study the microstructure of the mentioned three composites. Quasi static compression tests were also conducted to determine the mechanical properties and fracture behavior of the mentioned three composites. It was shown that the additives affected both compressive strength and fracture mode of the three composites. Impact initiation experiments on the mentioned three composites were performed to determine their shock-induced chemical reaction characteristics by considering pressure histories measured in the test chamber. The experimental results showed that the additives had significant effects on critical initiation velocity, reaction rate, reaction efficiency and post-reaction behavior. - Highlights: • .Al/Ni, Al/Ni/PTFE and Al/Ni/Cu were processed by means of static pressing. • .Microstructures, mechanical properties and shock-induced reactions were studied. • .Microstructures affect both compressive strength and fracture mode. • .Impact velocity is an important factor in shock-induced chemical characteristics. • .Each additive has significant effects on energy release behavior

  12. Spectator Ions ARE Important! A Kinetic Study of the Copper-Aluminum Displacement Reaction

    Science.gov (United States)

    Sobel, Sabrina G.; Cohen, Skyler

    2010-01-01

    Surprisingly, spectator ions are responsible for unexpected kinetics in the biphasic copper(II)-aluminum displacement reaction, with the rate of reaction dependent on the identity of the otherwise ignored spectator ions. Application of a published kinetic analysis developed for a reaction between a rotating Al disk and a Cu(II) ion solution to the…

  13. Statistical properties of multistep enzyme-mediated reactions

    OpenAIRE

    de Ronde, Wiet H.; Daniels, Bryan C.; Mugler, Andrew; Sinitsyn, Nikolai A.; Nemenman, Ilya

    2008-01-01

    Enzyme-mediated reactions may proceed through multiple intermediate conformational states before creating a final product molecule, and one often wishes to identify such intermediate structures from observations of the product creation. In this paper, we address this problem by solving the chemical master equations for various enzymatic reactions. We devise a perturbation theory analogous to that used in quantum mechanics that allows us to determine the first () and the second (variance) cumu...

  14. Characterisation of hydrocarbonaceous overlayers important in metal-catalysed selective hydrogenation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Lennon, David; Warringham, Robbie [School of Chemistry, Joseph Black Building, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Guidi, Tatiana [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Parker, Stewart F., E-mail: stewart.parker@stfc.ac.uk [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom)

    2013-12-12

    Highlights: • Inelastic neutron scattering spectroscopy of a commercial dehydrogenation catalyst. • The overlayer present on the catalyst is predominantly aliphatic. • A population of strongly hydrogen bonded hydroxyls is also present. - Abstract: The hydrogenation of alkynes to alkenes over supported metal catalysts is an important industrial process and it has been shown that hydrocarbonaceous overlayers are important in controlling selectivity profiles of metal-catalysed hydrogenation reactions. As a model system, we have selected propyne hydrogenation over a commercial Pd(5%)/Al{sub 2}O{sub 3} catalyst. Inelastic neutron scattering studies show that the C–H stretching mode ranges from 2850 to 3063 cm{sup −1}, indicating the mostly aliphatic nature of the overlayer and this is supported by the quantification of the carbon and hydrogen on the surface. There is also a population of strongly hydrogen-bonded hydroxyls, their presence would indicate that the overlayer probably contains some oxygen functionality. There is little evidence for any olefinic or aromatic species. This is distinctly different from the hydrogen-poor overlayers that are deposited on Ni/Al{sub 2}O{sub 3} catalysts during methane reforming.

  15. Synthesis, Properties and Mineralogy of Important Inorganic Materials

    DEFF Research Database (Denmark)

    Warner, Terence Edwin

    chosen so as to illustrate the large variety of physico-chemical properties encountered in inorganic materials, and to provide practical experience covering a wide range of preparative methods, with an emphasis on high-temperature techniques. The majority of the materials described in the book relate...... in extending their repertoire of teaching material into the realms of high-temperature synthesis. It is also of interest to professional chemists, physicists, materials scientists and technologists, ceramicists, mineralogists, geologists, geochemists, archaeologists, metallurgists, engineers, and non......-specialists, who are interested in learning more about how technological ceramic materials and artificial minerals are made. Finally, the author assumes that the reader is familiar with the basic principles and concepts of materials chemistry (or at least has access to such knowledge), such as; thermodynamic...

  16. Intellectual Property Rights, Parallel Imports and Strategic Behavior

    OpenAIRE

    Maskus, Keith E.; Ganslandt, Mattias

    2007-01-01

    The existence of parallel imports (PI) raises a number of interesting policy and strategic questions, which are the subject of this survey article. For example, parallel trade is essentially arbitrage within policy-integrated markets of IPR-protected goods, which may have different prices across countries. Thus, we analyze fully two types of price differences that give rise to such arbitrage. First is simple retail-level trade in horizontal markets because consumer prices may differ. Second i...

  17. [Drug surveillance and adverse reactions to drugs. The literature and importance of historical data].

    Science.gov (United States)

    Mariani, L; Minora, T; Ventresca, G P

    1996-12-01

    The authors highlight the essential role of pharmacovigilance and the need for a simple, efficient and low-cost system of adverse reaction (AR) reporting which could cover the whole population and all marketed drugs, and suggest that the only one presently viable is based on spontaneous reporting. To support their proposal the authors provide a definition of AR and of the different monitoring system, and list as many drugs as possible to find in the literature that have been associated with a specific AR, together with the active molecule, the therapeutic indication, the features of the AR and the regulatory actions (withdrawal from the market, restriction of use). Moreover, by describing the "history" behind some of these drugs the authors highlight the contribution that pharmacovigilance and spontaneous reporting have had to the development of regulations for approval and marketing of new drugs. It is also highlighted how some of these unexpected events (thalidomide, DES) have had a significant and important contribution to pharmacological and toxicological knowledge.

  18. General properties of astrophysical reaction rates in explosive nucleosynthesis

    International Nuclear Information System (INIS)

    Rauscher, Thomas

    2013-01-01

    Fundamental differences in the prediction of reaction rates with intermediate and heavy target nuclei compared to the ones with light nuclei are discussed, with special emphasis on stellar modifications of the rates. Ground and excited state contributions to the stellar rates are quantified, deriving a linear weighting of excited state contributions despite of a Boltzmann population of the nuclear states. A Coulomb suppression effect of the excited state contributions is identified, acting against the usual Q-value rule in some reactions. The proper inclusion of experimental data in revised stellar rates is shown, containing revised uncertainties. An application to the s-process shows that the actual uncertainties in the neutron capture rates are larger than would be expected from the experimental errors alone. Sensitivities of reaction rates and cross sections are defined and their application in reaction studies is discussed. The conclusion provides a guide to experiment as well as theory on how to best improve the rates used in astrophysical simulations and how to assess their uncertainties.

  19. Sensory properties of Californian and imported extra virgin olive oils.

    Science.gov (United States)

    Delgado, Claudia; Guinard, Jean-Xavier

    2011-04-01

    Production and consumption of extra-virgin olive has been increasing in the United States, particularly in California. The objective of this study was to compare the sensory characteristics of 22 extra virgin olive oils (EVOO) from California, Italy, Spain, Chile, and Australia using a generic descriptive analysis. A total of 22 sensory attributes were identified and defined by the descriptive panel. With the exception of thick and citrus, all sensory attributes were significantly different among the oils. Canonical Variate Analysis (CVA) showed that California oils differed from some imported EVOOs, mainly by their absence of defects. A second analysis, of only those attributes included in the International Olive Council (IOC) official scorecard, provided a less detailed description of the samples and did not allow for a full characterization of the oils. While the IOC attributes allowed for faster classification in terms of clean versus defective EVOOs, the more comprehensive descriptive analysis provided both more information and a more refined classification of the samples. Variety and region of origin were important factors in the classification of both Californian and imported EVOOs.   Measuring olive oil sensory quality using the IOC method-positive attributes of fruitiness, bitterness, and pungency, and defects including fusty, musty, winey, and rancid-allows for the certification of oils as extra virgin but it provides limited information on the sensory characteristics of the oils. A full descriptive profile, on the other hand, provides information that can be used by producers in the processing and marketing of their oils, and is a useful tool in the education of consumers about the wide range of (positive) sensory attributes in EVOO and the various sensory styles of EVOO.

  20. Commercially important properties of plants of the genus Plantago

    Directory of Open Access Journals (Sweden)

    Elżbieta Weryszko-Chmielewska

    2012-12-01

    Full Text Available The centuries-old experience of folk medicine, nutritional traditions, and the results of numerous research studies show that plants of the genus Plantago can be used for medicinal, cosmetic, dietetic, and ritual purposes. In the phytochemical composition of Plantago, there is an abundance of biologically active substances (among others, glycosides, flavonoids, polysaccharides, and vitamins exhibiting beneficial effects and, simultaneously, there is a low content of compounds that may exert a toxic effect. Scientific research has confirmed that Plantago plants have antioxidative, apoptosis-inhibiting, protective, healing-enhancing, spasmolytic, anthelmintic, and antimicrobial properties; they inhibit the development of some tumours, reduce the level of lipids in blood and inhibit tissue glycation. In phytotherapy, leaves, stems, and/or seeds of different plantain species are used. Plantago leaves and seeds are also used to manufacture creams, lotions, and face masks. Different parts of these plants (fresh plant material, extracts, or isolated substances are also used in human and animal nutrition. Plantain leaves can be eaten like lettuce or added to salads, fried in pastry, used to prepare a tea, juice, or wine. Its seeds are added to cakes, bread, breakfast cereals, ice cream, and drinks, or they are cooked like groats. Animals fed with plantain can live longer and are healthier, while meat derived from such animals is tastier and healthier to humans. Plantago seeds are readily eaten by cage birds. Plantain pollen, produced in large amounts (up to 20,000 pollen grains per 1 stamen of P. lancolata, can cause allergies in sensitive people. Due to a long flowering period of plants of the genus Plantago, the effect of the allergenic factor persists for many weeks. In Poland days with the maximum concentration of airborne plantain pollen most often occur in July.

  1. Importance of the support and the grade of Pt in the oxygen reduction reaction

    International Nuclear Information System (INIS)

    Enriquez M, O.; Fernandez V, S.M.

    2004-01-01

    The technology of the fuel cells type Proton Exchange Membrane (PEM), needs to define clearly the influence of the different involved parameters, this is made in general using methods of electrochemical impedance, in which the involved reactions can be presupposed. Another form of making is identifying experimentally the influence of the different parameters. In this work the obtained results are reported with for the oxygen reduction reaction using as electro catalyst platinum analytical grade and fuel cell grade and like support graphite and vulcan. It was found that as much the support as the particle size modify the over potential for the oxygen reduction reaction (Orr). (Author)

  2. 7 CFR 767.201 - Real estate inventory property with important resources.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 7 2010-01-01 2010-01-01 false Real estate inventory property with important... SERVICE AGENCY, DEPARTMENT OF AGRICULTURE SPECIAL PROGRAMS INVENTORY PROPERTY MANAGEMENT Real Estate Property With Important Resources or Located in Special Hazard Areas § 767.201 Real estate inventory...

  3. Variational nature, integration, and properties of Newton reaction path.

    Science.gov (United States)

    Bofill, Josep Maria; Quapp, Wolfgang

    2011-02-21

    The distinguished coordinate path and the reduced gradient following path or its equivalent formulation, the Newton trajectory, are analyzed and unified using the theory of calculus of variations. It is shown that their minimum character is related to the fact that the curve is located in a valley region. In this case, we say that the Newton trajectory is a reaction path with the category of minimum energy path. In addition to these findings a Runge-Kutta-Fehlberg algorithm to integrate these curves is also proposed.

  4. Variational nature, integration, and properties of Newton reaction path

    Science.gov (United States)

    Bofill, Josep Maria; Quapp, Wolfgang

    2011-02-01

    The distinguished coordinate path and the reduced gradient following path or its equivalent formulation, the Newton trajectory, are analyzed and unified using the theory of calculus of variations. It is shown that their minimum character is related to the fact that the curve is located in a valley region. In this case, we say that the Newton trajectory is a reaction path with the category of minimum energy path. In addition to these findings a Runge-Kutta-Fehlberg algorithm to integrate these curves is also proposed.

  5. Thermodynamic properties of an extremely rapid protein folding reaction.

    Science.gov (United States)

    Schindler, T; Schmid, F X

    1996-12-24

    The cold-shock protein CspB from Bacillus subtilis is a very small beta-barrel protein, which folds with a time constant of 1 ms (at 25 degrees C) in a U reversible N two-state reaction. To elucidate the energetics of this extremely fast reaction we investigated the folding kinetics of CspB as a function of both temperature and denaturant concentration between 2 and 45 degrees C and between 1 and 8 M urea. Under all these conditions unfolding and refolding were reversible monoexponential reactions. By using transition state theory, data from 327 kinetic curves were jointly analyzed to determine the thermodynamic activation parameters delta H H2O++, delta S H2O++, delta G H2O++, and delta C p H2O++ for unfolding and refolding and their dependences on the urea concentration. 90% of the total change in heat capacity and 96% of the change in the m value (m = d delta G/d[urea]) occur between the unfolded state and the activated state. This suggests that for CspB the activated state of folding is unusually well structured and almost equivalent to the native protein in its interactions with the solvent. As a consequence of this native-like activated state a strong temperature-dependent enthalpy/entropy compensation is observed for the refolding kinetics, and the barrier to refolding shifts from being largely enthalpic at low temperature to largely entropic at high temperature. This shift originates not from the changes in the folding protein chains itself, but from the changes in the protein-solvent interactions. We speculate that the absence of intermediates and the native-like activated state in the folding of CspB are correlated with the small size and the structural type of this protein. The stabilization of a small beta-sheet as in CspB requires extensive non-local interactions, and therefore incomplete sheets are unstable. As a consequence, the critical activated state is reached only very late in folding. The instability of partially folded structure is a means to

  6. Phosphorylated aminosugars: Synthesis, properties, and reactivity in enzymatic reactions

    International Nuclear Information System (INIS)

    Sem, D.S.; Cleland, W.W.

    1991-01-01

    A number of phosphorylated aminosugars have been prepared and tested as substrates for metabolic reactions. 6-Aminoglucose is a slow substrate for yeast hexokinase with a V max that is only 0.012% that of glucose. While V max is pH independent, V/K decreases below the pK of 9.0 of the amino group. 6-Aminoglucose is a competitive inhibitor vs glucose with a K i value increasing below the pK of 9 but leveling off at 33 mM below pH 7.16. Thus, protonation decreases binding affinity by 2.4 kcal/mol and only the neutral amine is catalytically competent. 6-Aminoglucose-6-P was synthesized enzymatically with hexokinase. Its pK's determined by 31 P NMR were 2.46 and 8.02 (α anomer) and 2.34 and 7.85 (β anomer), with a β:α ratio of 3.0. It is most stable at pH 12, while as a monoanion its half-life is 3 h. The 31 P NMR chemical shifts of the analogues are 8-8.5 ppm at pH 9.5. Their relative stability is 6-aminogluconate-6-P > 3-aminoglyceraldehyde-3-P > 6-aminoglucose-6-P > 6-aminofructose-1,6-bis-P≅6-aminofructose-6-P > 5-aminoribulose-5-P. These analogues were tested as substrates for their respective enzymes. Phosphorylated aminosugars are thus excellent isosteric analogues of normal metabolic intermediates, except for reactions catalyzed by kinases

  7. Redox properties of the nitronyl nitroxide antioxidants studied via their reactions with nitroxyl and ferrocyanide.

    Science.gov (United States)

    Bobko, A A; Khramtsov, V V

    2015-01-01

    Nitronyl nitroxides (NNs) are the paramagnetic probes that are capable of scavenging physiologically relevant reactive oxygen (ROS) and nitrogen (RNS) species, namely superoxide, nitric oxide (NO), and nitroxyl (HNO). NNs are increasingly considered as potent antioxidants and potential therapeutic agents. Understanding redox chemistry of the NNs is important for their use as antioxidants and as paramagnetic probes for discriminative detection of NO and HNO by electron paramagnetic resonance (EPR) spectroscopy. Here we investigated the redox properties of the two most commonly used NNs, including determination of the equilibrium and rate constants of their reduction by HNO and ferrocyanide, and reduction potential of the couple NN/hydroxylamine of nitronyl nitroxide (hNN). The rate constants of the reaction of the NNs with HNO were found to be equal to (1-2) × 10(4) M(-1)s(- 1) being close to the rate constants of scavenging superoxide and NO by NNs. The reduction potential of the NNs and iminonitroxides (INs, product of NNs reaction with NO) were calculated based on their reaction constants with ferrocyanide. The obtained values of the reduction potential for NN/hNN (E'0 ≈ 285 mV) and IN/hIN (E' ≈ 495 mV) are close to the corresponding values for vitamin C and vitamin E, correspondingly. The "balanced" scavenging rates of the NNs towards superoxide, NO, and HNO, and their low reduction potential being thermodynamically close to the bottom of the pecking order of oxidizing radicals, might be important factors contributing into their antioxidant activity.

  8. The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients.

    Science.gov (United States)

    Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

    2017-09-07

    A theoretical study, involving the calculation of reaction enthalpies, activation energies, mechanisms, and rate coefficients, was made of the reaction of hydroxyl radicals with methyl nitrate, an important process for methyl nitrate removal in the earth's atmosphere. Four reaction channels were considered: formation of H 2 O + CH 2 ONO 2 , CH 3 OOH + NO 2 , CH 3 OH + NO 3 , and CH 3 O + HNO 3 . For all channels, geometry optimization and frequency calculations were performed at the M06-2X/6-31+G** level, while relative energies were improved at the UCCSD(T*)-F12/CBS level. The major channel is found to be the H abstraction channel, to give the products H 2 O + CH 2 ONO 2 . The reaction enthalpy (ΔH 298 K RX ) of this channel is computed as -17.90 kcal mol -1 . Although the other reaction channels are also exothermic, their reaction barriers are high (>24 kcal mol -1 ), and therefore these reactions do not contribute to the overall rate coefficient in the temperature range considered (200-400 K). Pathways via three transition states were identified for the H abstraction channel. Rate coefficients were calculated for these pathways at various levels of variational transition state theory including tunneling. The results obtained are used to distinguish between two sets of experimental rate coefficients, measured in the temperature range of 200-400 K, one of which is approximately an order of magnitude greater than the other. This comparison, as well as the temperature dependence of the computed rate coefficients, shows that the lower experimental values are favored. The implications of the results to atmospheric chemistry are discussed.

  9. Cofactors in allergic reactions to food : physical exercise and alcohol are the most important

    NARCIS (Netherlands)

    Versluis, Astrid; van Os-Medendorp, Harmieke; Kruizinga, Astrid G; Blom, W Marty; Houben, Geert F; Knulst, André C

    2016-01-01

    INTRODUCTION: Involvement of cofactors, like physical exercise, alcohol consumption and use of several types of medication, are associated with more severe food allergic symptoms. However, there is limited evidence on how often cofactors play a role in food allergic reactions. The study aimed to get

  10. On the importance of hydrogen bonding in the promotion of Diels-Alder reactions of unactivated aldehydes: a computational study

    Science.gov (United States)

    Chemouri, Hafida; Mekelleche, Sidi Mohamed

    2014-03-01

    The kinetic solvent effects on the Diels-Alder (DA) reaction of N,N-dimethylamino-3-trimethylsilyl butadiene with p-anisaldehyde are studied by density functional calculations at the B3LYP/6-31C(d) level of theory. Experimentally, it has been found that the acceleration of this reaction is not due to the increase of the polarity of the solvent but it is rather due to hydrogen bonding (HB). Intrinsic reaction coordinate calculations combined with electron localisation function analysis show that this reaction follows a one-step two-stage mechanism with a highly asynchronous sigma bond formation process. The calculations, performed using an explicit solvent model based on the coordination of the carbonyl group with one molecule of the solvent, show a considerable decrease of the activation energy when going from the gas phase (ɛ = 1) to solution phase and this diminution is found to be more important in isopropyl alcohol (ɛ = 18.3) in comparison with acetonitrile (ɛ = 37.5). Our calculations also show that the acceleration of this DA reaction is due to the increase of the electrophilicity power of the solvated carbonyl compound and consequently the increase of the polarity of the reaction in the presence of protic solvents. The obtained results put in evidence the relevance of HB in the promotion of DA reactions of unactivated ketones as experimentally expected.

  11. Importance of $1n$-stripping process in the $^{6}$Li+$^{159}$Tb reaction

    OpenAIRE

    Pradhan, M. K.; Mukherjee, A.; Roy, Subinit; Basu, P.; Goswami, A.; Kshetri, R.; Palit, R.; Parkar, V. V.; Ray, M.; Sarkar, M. Saha; Santra, S.

    2013-01-01

    The inclusive cross sections of the $\\alpha$-particles produced in the reaction $^{6}$Li+$^{159}$Tb have been measured at energies around the Coulomb barrier. The measured cross sections are found to be orders of magnitude larger than the calculated cross sections of $^{6}$Li breaking into $\\alpha$ and $d$ fragments, thus indicating contributions from other processes. The experimental cross sections of $1n$-stripping and $1n$-pickup processes have been determined from an entirely different me...

  12. Effect of Chemical Reactions on the Hydrologic Properties of Fractured and Rubbelized Glass Media

    International Nuclear Information System (INIS)

    Saripalli, Prasad; Meyer, P D.; Parker, Kent E.; Lindberg, Michael J.

    2005-01-01

    Understanding the effect of chemical reactions on the hydrologic properties of geological media, such as porosity, permeability and dispersivity, is critical to many natural and engineered sub-surface systems. Influence of glass corrosion (precipitation and dissolution) reactions on fractured and rubbelized (crushed) forms HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted using fractured and rubbelized forms, before and after subjecting them to corrosion using Vapor Hydration Testing (VHT) at 200 C temperature and 200 psig pressure, causing the precipitation of alteration products. Data were analyzed using analytical expressions and CXTFIT, a transport parameter optimization code, for the estimation of the hydrologic characteristics before and after VHT. It was found that glass reactions significantly influence the hydrologic properties of ILAW glass media. Hydrologic properties of rubbelized glass decreased due to precipitation reactions, whereas those of fractured glass media increased due to reaction which led to unconfined expansion of fracture aperture. The results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured and rubbelized stony media in general and glass media in particular

  13. Child-rearing practices toward children with hemophilia: The relative importance of clinical characteristics and parental emotional reactions

    NARCIS (Netherlands)

    Banis, Hendrika; Suurmeijer, Th.P.B.M.; van Peer, D.R.

    This study addresses the relative importance of clinical characteristics of the child and parental emotional reactions, to child-rearing practices towards children who suffer from hemophilia. The variables were assessed in a Dutch sample of 108 zero-to-twelve-year-old boys with hemophilia and their

  14. Evaluation of cross sections for 14 important neutron-dosimetry reactions

    International Nuclear Information System (INIS)

    Wagner, M.; Vonach, H.; Pavlik, A.; Strohmaier, B.; Tagesen, S.; Martinez-Rico, J.

    1990-01-01

    The evaluation of the cross sections for the neutron dosimetry reactions 24 Mg(n,p) 24 Na, 27 Al(n,α) 24 Na, 58 Ni(n,2n) 57 Ni, 64 Zn(n,p) 64 Cu, 90 Zr(n,2n) 89 Zr and 93 Nb(n,n') 93m Nb carried out at the IRK about ten years ago were updated taking into account recent experimental results. Besides, new evaluations were performed for four additional dosimetry reactions, namely 52 Cr(n,2n) 51 Cr, 59 Co(n,2n) 58 Co, 93 Nb(n,2n) 92m Nb and 197 Au(n,2n) 196 Au. The deadlines for the retrieval of data for the different reactions lay between March 1989 and February 1990. The evaluations comprise the neutron energy range from threshold to 20 MeV, in a few cases this range is extended up to 21 MeV or 30 MeV. Cross sections and their uncertainties were evaluated in energy groups with widths of 0.1 MeV to 2.0 MeV, and relative correlation matrices of the evaluated cross sections at different energies were derived. The results of the evaluations are compared to the previous ones and to other recent evaluations reported in the literature. The main results of our previous evaluations for the reactiosn 19 F(n,2n) 18 F, 31 P(n,p) 31 Si, 63 Cu(n,2n) 62 Cu and 103 Rh(n,n') 103m Rh which remain unchanged are also given for completeness. The evaluations reported in this work will be included in the new version of the IRDF (International Reactor Dosimetry File) of the IAEA in ENDF/B-VI format. (orig.)

  15. Thermodynamic properties and equilibrium constant of chemical reaction in nanosystem: An theoretical and experimental study

    International Nuclear Information System (INIS)

    Du, Jianping; Zhao, Ruihua; Xue, Yongqiang

    2012-01-01

    Highlights: ► There is an obvious influence of the size on thermodynamic properties for the reaction referring nano-reactants. ► Gibbs function, enthalpy, entropy and equilibrium constant are dependent on the reactant size. ► There is an approximate linear relation between them. - Abstract: The theoretical relations of thermodynamic properties, the equilibrium constant and reactant size in nanosystem are described. The effects of size on thermodynamic properties and the equilibrium constant were studied using nanosize zinc oxide and sodium bisulfate solution as a reaction system. The experimental results indicated that the molar Gibbs free energy, the molar enthalpy and the molar entropy of the reaction decrease, but the equilibrium constant increases with decreasing reactant size. Linear trends were observed between the reciprocal of size for nano-reactant and thermodynamic variable, which are consistent with the theoretical relations.

  16. When fairness is especially important: Reactions to being inequitably paid in communal relationships

    NARCIS (Netherlands)

    Peters, Susanne Lidewij; Bos, K. van den

    This article focuses on when justice is especially important to people and, in doing so, explores the social conditions under which the importance of justice may change in social interactions. More specifically, the authors examine how different types of relationships affect evaluations of equitable

  17. Effect of the reaction medium on the properties of solid catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Boreskov, G.K.

    1980-01-01

    The effect of the reaction medium on the properties of solid catalysts, such as bulk or supported metals, alloys, or metal oxides, include variations in surface composition, structure, and catalytic properties due to catalyst interaction with the reactants. This interaction leads to the establishment of a steady state, which is determined by the composition of the reaction medium and temperature, but is independent of the initial state of the catalyst. This steady state for a catalyst of a given chemical composition is characterized by an approximately constant specific activity in most chemical reactions, which is almost independent of the preparation method, surface area, or crystal size of the catalyst. The structurally sensitive reactions, which occur only on limited segments of catalyst surface characterized by specific structures, are the exception. The effects of the variations in catalytic properties caused by the reaction medium on the steady-state and nonsteady-state reaction kinetics are also discussed based on the results obtained for oxidative dehydrogenation of 1-butene over an iron/antimony oxide catalyst.

  18. Re-examining the 26Mg(α ,α')26Mg reaction: Probing astrophysically important states in 26Mg

    Science.gov (United States)

    Adsley, P.; Brümmer, J. W.; Li, K. C. W.; Marín-Lámbarri, D. J.; Kheswa, N. Y.; Donaldson, L. M.; Neveling, R.; Papka, P.; Pellegri, L.; Pesudo, V.; Pool, L. C.; Smit, F. D.; van Zyl, J. J.

    2017-11-01

    Background: The 22Ne(α ,n )25Mg reaction is one of the neutron sources for the s process in massive stars. The properties of levels in 26Mg above the α -particle threshold control the strengths of the 22Ne(α ,n )25Mg and 22Ne(α ,γ )26Mg reactions. The strengths of these reactions as functions of temperature are one of the major uncertainties in the s process. Purpose: Information on the existence, spin, and parity of levels in 26Mg can assist in constraining the strengths of the 22Ne(α ,γ )26Mg and 22Ne(α ,n )25Mg reactions, and therefore in constraining s -process abundances. Methods: Inelastically scattered α particles from a 26Mg target were momentum-analyzed in the K600 magnetic spectrometer at iThemba LABS, South Africa. The differential cross sections of states were deduced from the focal-plane trajectory of the scattered α particles. Based on the differential cross sections, spin and parity assignments to states are made. Results: A newly assigned 0+ state was observed in addition to a number of other states, some of which can be associated with states observed in other experiments. Some of the deduced Jπ values of the states observed in the present study show discrepancies with those assigned in a similar experiment performed at RCNP Osaka. The reassignments and additions of the various states can strongly affect the reaction rate at low temperatures. Conclusion: The number, location, and assignment of levels in 26Mg that may contribute to the 22Ne+α reactions are not clear. Future experimental investigations of 26Mg must have an extremely good energy resolution to separate the contributions from different levels. Coincidence experiments of 26Mg provide a possible route for future investigations.

  19. Measurements of physical properties during transesterification of soybean oil to biodiesel for prediction of reaction progress

    International Nuclear Information System (INIS)

    Moradi, G.R.; Dehghani, S.; Ghanei, R.

    2012-01-01

    Highlights: ► Reaction progress in transesterification of soybean oil predicted using physical properties. ► Transesterification performed at 70 °C with Me/oil ratio 12:1 and 5 wt.% of BaO as catalyst. ► Viscosity and refractive index decreases nonlinearly during the progress of transesterification. ► Pour point increases linearly and cloud point increases nonlinearly during progress of reaction. ► Refractive index and pour point recommended for prediction transesterification progress. - Abstract: Biodiesel is a pure, non-toxic, biodegradable, clean-burning fuel and renewable alternative for fossil diesel fuel. In this work, a new method was introduced to determine reaction progress in transesterification of soybean oil to biodiesel by the use of physical property variation during reaction. Quantitative analysis stage for determination fatty acid methyl ester (FAME) which is expensive and time-consuming can be replaced by this method. To develop the method, in the first stage, transesterification of soybean oil at optimum conditions (70 °C with MeOH to oil molar ratio of 12:1 and 5 wt.% of BaO as catalyst) was carried out to determine how conversion and physical properties change with time. Then appropriate functions were fitted on the extracted data and were evaluated by comparison with GC results. Refractive index was selected as good physical property to predict reaction progress.

  20. Computational investigation of kinetics of cross-linking reactions in proteins: importance in structure prediction.

    Science.gov (United States)

    Bandyopadhyay, Pradipta; Kuntz, Irwin D

    2009-01-01

    The determination of protein structure using distance constraints is a new and promising field of study. One implementation involves attaching residues of a protein using a cross-linking agent, followed by protease digestion, analysis of the resulting peptides by mass spectroscopy, and finally sequence threading to detect the protein folds. In the present work, we carry out computational modeling of the kinetics of cross-linking reactions in proteins using the master equation approach. The rate constants of the cross-linking reactions are estimated using the pKas and the solvent-accessible surface areas of the residues involved. This model is tested with fibroblast growth factor (FGF) and cytochrome C. It is consistent with the initial experimental rate data for individual lysine residues for cytochrome C. Our model captures all observed cross-links for FGF and almost 90% of the observed cross-links for cytochrome C, although it also predicts cross-links that were not observed experimentally (false positives). However, the analysis of the false positive results is complicated by the fact that experimental detection of cross-links can be difficult and may depend on specific experimental conditions such as pH, ionic strength. Receiver operator characteristic plots showed that our model does a good job in predicting the observed cross-links. Molecular dynamics simulations showed that for cytochrome C, in general, the two lysines come closer for the observed cross-links as compared to the false positive ones. For FGF, no such clear pattern exists. The kinetic model and MD simulation can be used to study proposed cross-linking protocols.

  1. Chemiluminescence development after initiation of Maillard reaction in aqueous solutions of glycine and glucose: nonlinearity of the process and cooperative properties of the reaction system

    Science.gov (United States)

    Voeikov, Vladimir L.; Naletov, Vladimir I.

    1998-06-01

    Nonenzymatic glycation of free or peptide bound amino acids (Maillard reaction, MR) plays an important role in aging, diabetic complications and atherosclerosis. MR taking place at high temperatures is accompanied by chemiluminescence (CL). Here kinetics of CL development in MR proceeding in model systems at room temperature has been analyzed for the first time. Brief heating of glycine and D-glucose solutions to t greater than 93 degrees Celsius results in their browning and appearance of fluorescencent properties. Developed In solutions rapidly cooled down to 20 degrees Celsius a wave of CL. It reached maximum intensity around 40 min after the reaction mixture heating and cooling it down. CL intensity elevation was accompanied by certain decoloration of the solution. Appearance of light absorbing substances and development of CL depended critically upon the temperature of preincubation (greater than or equal to 93 degrees Celsius), initial pH (greater than or equal to 11,2), sample volume (greater than or equal to 0.5 ml) and reagents concentrations. Dependence of total counts accumulation on a system volume over the critical volume was non-monotonous. After reaching maximum values CL began to decline, though only small part of glucose and glycin had been consumed. Brief heating of such solutions to the critical temperature resulted in emergence of a new CL wave. This procedure could be repeated in one and the same reaction system for several times. Whole CL kinetic curve best fitted to lognormal distribution. Macrokinetic properties of the process are characteristic of chain reactions with delayed branching. Results imply also, that self-organization occurs in this system, and that the course of the process strongly depends upon boundary conditions and periodic interference in its course.

  2. Influence of the reaction stoichiometry on the mechanical and thermal properties of SWCNT-modified epoxy composites

    International Nuclear Information System (INIS)

    Ashrafi, Behnam; Johnston, Andrew; Martinez-Rubi, Yadienka; Kingston, Christopher T; Simard, Benoit; Khoun, Lolei; Yourdkhani, Mostafa; Hubert, Pascal

    2013-01-01

    Previous studies suggest that carbon nanotubes (CNTs) have a considerable influence on the curing behavior and crosslink density of epoxy resins. This invariably has an important effect on different thermal and mechanical properties of the epoxy network. This work focuses on the important role of the epoxy/hardener mixing ratio on the mechanical and thermal properties of a high temperature aerospace-grade epoxy (MY0510 Araldite as an epoxy and 4,4′-diaminodiphenylsulfone as an aromatic hardener) modified with single-walled carbon nanotubes (SWCNTs). The effects of three different stoichiometries (stoichiometric and off-stoichiometric) on various mechanical and thermal properties (fracture toughness, tensile properties, glass transition temperature) of the epoxy resin and its SWCNT-modified composites were obtained. The results were also supported by Raman spectroscopy and scanning electron microscopy (SEM). For the neat resin, it was found that an epoxy/hardener molar ratio of 1:0.8 provides the best overall properties. In contrast, the pattern in property changes with the reaction stoichiometry was considerably different for composites reinforced with unfunctionalized SWCNTs and reduced SWCNTs. A comparison among composites suggests that a 1:1 molar ratio considerably outperforms the other two ratios examined in this work (1:0.8 and 1:1.1). This composition at 0.2 wt% SWCNT loading provides the highest overall mechanical properties by improving fracture toughness, ultimate tensile strength and ultimate tensile strain of the epoxy resin by 40%, 34%, 54%, respectively. (paper)

  3. Reaction

    African Journals Online (AJOL)

    abp

    19 oct. 2017 ... Reaction to Mohamed Said Nakhli et al. concerning the article: "When the axillary block remains the only alternative in a 5 year old child". .... Bertini L1, Savoia G, De Nicola A, Ivani G, Gravino E, Albani A et al ... 2010;7(2):101-.

  4. The Importance of IgG Avidity and the Polymerase Chain Reaction in Treating Toxoplasmosis during Pregnancy: Current Knowledge

    Directory of Open Access Journals (Sweden)

    João Bortoletti Filho

    2013-01-01

    Full Text Available A brief report on the nature and epidemiology of T. gondii infection is firstly presented. The importance of the specific IgG avidity test and polymerase chain reaction (PCR for toxoplasmosis is discussed, along with their significance and importance as auxiliary methods for determining the most likely time for the initial infection by this coccidian and for defining the therapeutic strategy. Lastly, practical comments are made in relation to the classical therapeutic regimens, with special attention to the indications for fetal treatment, when this is necessary.

  5. Bioactive Properties of Maillard Reaction Products Generated From Food Protein-derived Peptides.

    Science.gov (United States)

    Arihara, K; Zhou, L; Ohata, M

    Food protein-derived peptides are promising food ingredients for developing functional foods, since various bioactive peptides are released from food proteins. The Maillard reaction, which plays an important role in most processed foods, generates various chemical components during processing. Although changes of amino acids or proteins and reduced sugars by the Maillard reaction have been studied extensively, such changes of peptides by the Maillard reaction are still not resolved enough. Since food protein-derived peptides are widely utilized in many processed foods, it deserves concern and research on the changes of peptides by the Maillard reaction in foods during processing or storage. This chapter initially overviewed food protein-derived bioactive peptides. Then, Maillard reaction products generated from peptides are discussed. We focused particularly on their bioactivities. © 2017 Elsevier Inc. All rights reserved.

  6. Intramolecular didehydro-Diels-Alder reaction and its impact on the structure-function properties of environmentally sensitive fluorophores.

    Science.gov (United States)

    Brummond, Kay M; Kocsis, Laura S

    2015-08-18

    Reaction discovery plays a vital role in accessing new chemical entities and materials possessing important function.1 In this Account, we delineate our reaction discovery program regarding the [4 + 2] cycloaddition reaction of styrene-ynes. In particular, we highlight our studies that lead to the realization of the diverging reaction mechanisms of the intramolecular didehydro-Diels-Alder (IMDDA) reaction to afford dihydronaphthalene and naphthalene products. Formation of the former involves an intermolecular hydrogen atom abstraction and isomerization, whereas the latter is formed via an unexpected elimination of H2. Forming aromatic compounds by a unimolecular elimination of H2 offers an environmentally benign alternative to typical oxidation protocols. We also include in this Account ongoing work focused on expanding the scope of this reaction, mainly its application to the preparation of cyclopenta[b]naphthalenes. Finally, we showcase the synthetic utility of the IMDDA reaction by preparing novel environmentally sensitive fluorophores. The choice to follow this path was largely influenced by the impact this reaction could have on our understanding of the structure-function relationships of these molecular sensors by taking advantage of a de novo construction and functionalization of the aromatic portion of these compounds. We were also inspired by the fact that, despite the advances that have been made in the construction of small molecule fluorophores, access to rationally designed fluorescent probes or sensors possessing varied and tuned photophysical, spectral, and chemical properties are still needed. To this end, we report our studies to correlate fluorophore structure with photophysical property relationships for a series of solvatochromic PRODAN analogs and viscosity-sensitive cyanoacrylate analogs. The versatility of this de novo strategy for fluorophore synthesis was demonstrated by showing that a number of functional groups could be installed at

  7. Importance of polymerase chain reaction in diagnosis of pulmonary and extra-pulmonary tuberculosis

    International Nuclear Information System (INIS)

    Iqbal, S.; Ahmed, R.; Adhami, S.U.Z.

    2011-01-01

    Pakistan ranks eighth on the list of 22 high-burden tuberculosis (TB) countries in the world according to the World Health Organisation's (WHO) Global Tuberculosis Control 2009. Including other reasons the main cause is improper and late diagnosis of the disease. PCR may play an important role to control the disease with its rapid, sensitive and specific diagnosis. But in Pakistan due to lake of knowledge about this latest technique we are not using this technique appropriately. Clinicians still trust on conventional methods of TB diagnosis, which are time consuming or insensitive. The present study was arranged to highlight the importance of PCR in TB diagnosis in pulmonary and extra-pulmonary cases and its comparison with conventional methods. Methods: Samples obtained from 290 patients of suspected TB (pulmonary or extra-pulmonary) were subjected to ZN smear examination, LJ medium culture and PCR test by amplifying 541 bp fragment of Mycobacterium tuberculosis complex genome. The present prospective study is performed at Shalamar Hospital Lahore from November 2008 to November 2010. Results: A distinctly difference was observed in the test results done by PCR and other conventional techniques in pulmonary or extra-pulmonary tuberculosis samples (p<0.001). The sensitivity of different tests was 68.62% for PCR, 26.90% for LJ medium culture, and 14.14% for ZN smear examination (p<0.05). However, there was no significant difference between different tests as for as specificity was concerned. PCR test sensitivity in pulmonary and extra-pulmonary clinical samples was 78.34 and 61.76% respectively, being significantly higher (p<0.05) when compared with sensitivity of other tests. The mean detection time for M. tuberculosis was 25 days by LJ medium culture and less than 1 day by smear examination and PCR test. Conclusion: PCR test is more sensitive than ZN smear examination and LJ medium culture for the diagnosis of TB in pulmonary and extra-pulmonary clinical samples

  8. Study of astrophysically important resonant states in 26Si by the 28Si(4He,6He)26Si reaction

    Science.gov (United States)

    Kwon, Young Kwan; Lee, C. S.; Moon, J. Y.; Lee, J. H.; Kim, J. Y.; Kubono, S.; Iwasa, N.; Inafiki, K.; Yamaguchi, H.; He, J. J.; Saito, A.; Wakabayashi, Y.; Fukijawa, H.; Amadio, G.; Khiem, L. H.; Tanaka, M.; Chen, A.; Kato, S.

    PoS(NIC-IX)024 , b, H. Yamaguchia, J. J. Hea , A. Saitoa , Y. Wakabayashia, H. Fujikawaa, G. The emission of 1.809 MeV gamma-ray from the first excited state of 26 Mg followed by beta- decay of 26 Al in its ground state (denoted as 26 Alg.s. ) has been identified by gamma-ray telescopes such the Compton Gamma-Ray Observatory (CGRO) [1]. To resolve controversy over the pos- sible sources of the observational 1.809 MeV gamma-rays, one needs accurate knowledge of the production rate of 26 Al. The 25 Al(p,γ)26Si reaction which is the competition reaction for produc- tion of 26 Alg.s. is one of the important subjects to be investigated. In this work, the astrophysically important 26 Si states above the proton threshold were studied via the 28 Si(4 He,6 He)26 Si reaction. We have preformed an angular distribution measurement using the high resolution QDD spectro- graph (PA) at Center for Nuclear Study (CNS), University of Tokyo. The experimental results and data analysis will be presented.

  9. Recoil properties of radionuclides formed in photospallation reactions on complex nuclei at intermediate energies

    International Nuclear Information System (INIS)

    Haba, Hiromitsu; Oura, Yasuji; Shibata, Seiichi; Furukawa, Michiaki; Fujiwara, Ichiro

    2001-01-01

    A short review is given on our studies of recoil properties of radionuclides formed in photospallation reactions induced by bremsstrahlung of end-point energies (E 0 ) from 600 to 1100 MeV, in which the thick-target thick-catcher method was employed. The measurements have been successful on 14, 24, 26, 31, 21 and 20 nuclides from nat V, nat Cu, 93 Nb, nat Ag, nat Ta, and 197 Au, respectively. Reflecting the resonance character in a photonuclear reaction, the mean ranges FW and BW in the forward and backward directions, respectively, are E 0 -independent at the studied energies and classified into two groups accounting for the (γ, xn) (x ≥ 1) and (γ, xnyp) (x, y ≥ 1) processes. The forward-to-backward ratios (F/B) are independent of the mass difference (ΔA) between a product (A p ) and a target (A t ) and also of A t . The kinematic properties of the product nuclei were analyzed by the two-step vector velocity model. The forward velocity ν after the first step of photon-reaction is quite different from that of proton-reaction at proton energies of E p ≤ 3 GeV, though the difference disappears at higher energies. On the other hand, the mean kinetic energy T of the residual nucleus in the second step is almost equal to that of proton-reaction irrespective of E p . A comparison with T values calculated by the PICA (Photon-Induced Intranuclear Cascade Analysis) code at E 0 =400 MeV was also performed. It was found that although the code well reproduces the experimental results of nat V and nat Cu, the same calculation for heavier targets gives T values lower than the experimental results, indicating some nuclear-structure effect, such as a medium effect notably at A t ≥ 100. An average kinetic energy carried off by the emitted particles ε s =T/(ΔA/A t ) of both photon- and proton-reactions seem to increase with an increase of A t up to around A t =100, and become almost constant at larger A t , implying some change in the nuclear structure effect in this

  10. Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yuwei [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); College of Materials Science and Engineering, Qiqihar University, Qiqihar 161006 (China); Meng, Linghui [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Fan, Liquan [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); College of Materials Science and Engineering, Qiqihar University, Qiqihar 161006 (China); Ma, Lichun; Qi, Meiwei; Yu, Jiali [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China); Huang, Yudong, E-mail: ydhuang.hit1@yahoo.com.cn [School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001 (China)

    2014-10-15

    Highlights: • Carbon fibers are grafted with phenyl amine group via aryl diazonium reaction. • Interfacial shear strength of the carbon fibers increases by 73%. • Tensile strength of the carbon fibers does not decrease distinctly. • Using water as the reaction medium can avoid pollution from organic solvents. • Grafting via aryl diazonium reaction in one step can improve modification efficiency. - Abstract: Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction “on water” to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction “on water” could be a facile green platform to functionalize carbon fibers for many interesting applications.

  11. Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

    International Nuclear Information System (INIS)

    Wang, Yuwei; Meng, Linghui; Fan, Liquan; Ma, Lichun; Qi, Meiwei; Yu, Jiali; Huang, Yudong

    2014-01-01

    Highlights: • Carbon fibers are grafted with phenyl amine group via aryl diazonium reaction. • Interfacial shear strength of the carbon fibers increases by 73%. • Tensile strength of the carbon fibers does not decrease distinctly. • Using water as the reaction medium can avoid pollution from organic solvents. • Grafting via aryl diazonium reaction in one step can improve modification efficiency. - Abstract: Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction “on water” to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction “on water” could be a facile green platform to functionalize carbon fibers for many interesting applications

  12. Study of astrophysically important resonant states in 30 S using the 32S(p,t30 S reaction

    Directory of Open Access Journals (Sweden)

    Wrede C.

    2010-03-01

    Full Text Available A small fraction (< 1% of presolar SiC grains is suggested to have been formed in the ejecta of classical novae. The 29P(p,γ30S reaction plays an important role in understanding the Si isotopic abundances in such grains, which in turn provide us with information on the nature of the probable white dwarf progenitor’s core, as well as the peak temperatures achieved during nova outbursts, and thus the nova nucleosynthetic path. The 29P(p,γ30S reaction rate at nova temperatures is determined by two low-lying 3+ and 2+ resonances above the proton threshold at 4399 keV in 30S. Despite several experimental studies in the past, however, only one of these two states has only been observed very recently. We have studied the 30S nuclear structure via the 32S(p,t 30S reaction at 5 laboratory angles between 9° to 62°. We have observed 14 states, eleven of which are above the proton threshold, including two levels at 4692.7 ± 4.5 keV and 4813.8 ± 3.4 keV that are candidates for the 3+ and the previously “issing” 2+ state, respectively.

  13. Importance of (n,xn) reactions in evaluating kinetic parameters of subcritical assemblies: from classic to modern formalism

    Energy Technology Data Exchange (ETDEWEB)

    Talamo, Alberto; Gohar, Yousry, E-mail: alby@anl.gov [Argonne National Laboratory, Lemont, IL (United States); Dulla, Sandra; Ravetto, Piero [Politecnico di Torino (Italy)

    2011-07-01

    The importance of (n,xn) reactions must be taken into consideration while calculating the kinetic parameters of subcritical assemblies driven by an external neutron source. This study is divided into two parts, the first part is dedicated to the classic definition of the neutron source multiplication factor and two alternative calculation methodologies are compared. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and generation time. This new definition has been modified to take into account the external neutron source and (n,xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly in Belarus. This facility can be driven by californium, deuterium-deuterium (D-D), or deuterium-tritium (D-T) external neutron sources. For the D-T neutron source, (n,xn) reactions must be taken into account in order to produce accurate results because the average energy of D-T source neutrons is 14.1 MeV, a value much higher than the threshold energy of the (n,2n) cross section of uranium isotopes. (author)

  14. Importance of (n,xn) reactions in evaluating kinetic parameters of subcritical assemblies: from classic to modern formalism

    International Nuclear Information System (INIS)

    Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

    2011-01-01

    The importance of (n,xn) reactions must be taken into consideration while calculating the kinetic parameters of subcritical assemblies driven by an external neutron source. This study is divided into two parts, the first part is dedicated to the classic definition of the neutron source multiplication factor and two alternative calculation methodologies are compared. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and generation time. This new definition has been modified to take into account the external neutron source and (n,xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly in Belarus. This facility can be driven by californium, deuterium-deuterium (D-D), or deuterium-tritium (D-T) external neutron sources. For the D-T neutron source, (n,xn) reactions must be taken into account in order to produce accurate results because the average energy of D-T source neutrons is 14.1 MeV, a value much higher than the threshold energy of the (n,2n) cross section of uranium isotopes. (author)

  15. Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

    Science.gov (United States)

    Wang, Yuwei; Meng, Linghui; Fan, Liquan; Ma, Lichun; Qi, Meiwei; Yu, Jiali; Huang, Yudong

    2014-10-01

    Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction "on water" to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction "on water" could be a facile green platform to functionalize carbon fibers for many interesting applications.

  16. Copolymers containing meta-pyridylvinylene and para-arylenevinylene fragments: synthesis, quaternization reaction, and photophysical properties

    Science.gov (United States)

    Barashkov, Nikolay N.; Olivos, Hernando J.; Ferraris, John P.

    1997-12-01

    We report the Wittig reaction of the diphosphonium salt of 2,6-bis(chloromethyl)pyridine with terephthaldehyde, 2.5- dioctyloxyterephthaldehyde, or 9,10-anthracenedicarbaldehyde to form conjugated copolymers with fragments of 2,6 - pyridylene and para-arylenevinylene. The protonation reaction of poly(para-arylenevinylene)-co-(meta- pyridylvinylene) with hydrochloric acid and the quaternization reaction of poly(2,5-dioctyloxy-1,4- phenylenevinylene)-co-(2,6-pyridylvinylene) with methyl triflate have been investigated by spectrophotometric and fluorescent methods. The absorption, excitation and fluorescence spectra of these copolymers as well as their corresponding model compounds were studied and compared. The photophysical properties of the investigated polymers suggest that these materials could be good candidates for the fabrication of efficient blue and green light-emitting diodes.

  17. Dependence of reaction pressure on deposition and properties of boron-doped freestanding diamond films

    International Nuclear Information System (INIS)

    Li Liuan; Li Hongdong; Lue Xianyi; Cheng Shaoheng; Wang Qiliang; Ren Shiyuan; Liu Junwei; Zou Guangtian

    2010-01-01

    In this paper, we investigate the reaction pressure-dependent growth and properties of boron-doped freestanding diamond films, synthesized by hot filament chemical vapor deposition (HFCVD) at different boron-doping levels. With the decrease in pressure, the growth feature of the films varies from mixed [1 1 1] and [1 1 0] to dominated [1 1 1] texture. The low reaction pressure, as well as high boron-doping level, results in the increase (decrease) of carrier concentration (resistivity). The high concentration of atomic hydrogen in the ambient and preferable [1 1 1] growth, due to the low reaction pressure, is available for the enhancement of boron doping. The estimated residual stress increases with increase in the introducing boron level.

  18. A real-time polymerase chain reaction method for the identification of four commercially important salmon and trout species.

    Science.gov (United States)

    Feng, Junli; Wu, Zhigang; Xie, Xiao; Dai, Zhiyuan; Liu, Shasha

    2017-01-01

    A duplex quantitative real-time PCR (qPCR) assay was developed for rapid and accurate identification of four commercially important salmon and trout species (Oncorhynchus keta, Oncorhynchus nerka, Oncorhynchus mykiss, and Salmo salar) commonly used for production process of fish in China. The assays targeting the mitochondrial control region (CR) and 16S rRNA gene were able to simultaneously discriminate four target species and the family Salmonidae from processed as well as fresh fish. The qPCR efficiency of each reaction was calculated according to the standard curve, and the method was validated by amplification DNA extracted from single or artificial mixtures prepared with the reference salmon and trout species. Testing of 11 commercial salmon and trout products by the established qPCR assay demonstrated that it was really a useful and academic technique to identify four commercially important salmon and trout species.

  19. Influence of biodiesel blending on physicochemical properties and importance of mathematical model for predicting the properties of biodiesel blend

    International Nuclear Information System (INIS)

    Wakil, M.A.; Kalam, M.A.; Masjuki, H.H.; Atabani, A.E.; Rizwanul Fattah, I.M.

    2015-01-01

    Highlights: • Short identification of selected biodiesel feedstock. • Review of physicochemical properties for blended biodiesel. • Mathematical model for predicting properties of various biodiesel blends. - Abstract: The growing demand for green world serves as one of the most significant challenges of modernization. Requirements like largest usage of energy for modern society as well as demand for friendly milieu create a deep concern in field of research. Biofuels are placed at the peak of the research arena for their underlying benefits as mentioned by multiple researches. Out of a number of vegetable oils, only a few are used commercially for biodiesel production. Due to various limitations of edible oil, non-edible oils are becoming a profitable choice. Till today, very little percentage of biodiesel is used successfully in engine. The research is still continuing for improving the biodiesel usage level. Recently, it is found that the blended biodiesel from more than one feedstock provides better performance in engine. This paper reviews the physicochemical properties of different biodiesel blends obtained from various feedstocks with a view to properly understand the fuel quality. Moreover, a short description of each feedstock is given along with graphical presentation of important properties for various blend percentages from B0 to B100. Finally, mathematical model is formed for predicting various properties of biodiesel blend with the help of different research data by using polynomial curve fitting method. The results obtained from a number of literature based on this work shows that the heating value of biodiesel is about 11% lower than diesel except coconut (14.5% lower) whereas kinematic viscosity is in the range of 4–5.4 mm 2 /s. Flash point of all biodiesels are more than 150 °C, except neem and coconut. Cold flow properties of calophyllum, palm, jatropha, moringa are inferior to others. This would help to determine important properties of

  20. Bacterial composition of activated sludge - importance for floc and sludge properties

    Energy Technology Data Exchange (ETDEWEB)

    Nielsen, Per H.; Thomsen, Trine R.; Nielsen, Jeppe L.

    2003-07-01

    Activated sludge flocs consist of numerous constituents which, together with other factors, are responsible for floc structure and floc properties. These properties largely determine the sludge properties such as flocculation, settling and dewaterability. In this paper we briefly review the present knowledge about the role of bacteria in relation to floc and sludge properties, and we present a new approach to investigate the identity and function of the bacteria in the activated sludge flocs. The approach includes identification of the important bacteria and a characterization of their physiological and functional properties. It is carried out by use of culture-independent molecular biological methods linked with other methods to study the physiology and function maintaining a single cell resolution. Using this approach it was found that floc-forming properties differed among the various bacterial groups, e.g. that different microcolony-forming bacteria had very different sensitivities to shear and that some of them deflocculated under anaerobic conditions. in our opinion, the approach to combine identity with functional analysis of the dominant bacteria in activated sludge by in situ methods is a very promising way to investigate correlations between presence of specific bacteria, and floc and sludge properties that are of interest. (author)

  1. Feshbach-Kerman-Koonin analysis of 93Nb reactions: P→Q transitions and reduced importance of multistep compound emission

    International Nuclear Information System (INIS)

    Chadwick, M.B.; Young, P.G.

    1993-01-01

    We have implemented multistep compound (MSC) and multistep direct (MSD) preequilibrium theories of Feshbach, Kerman, and Koonin (FKK) for the calculation of nucleon-induced reactions. Unlike most previous analyses, which have concentrated on just one of these multistep mechanisms, we consider both mechanisms as well as subsequent Hauser-Feshbach equilibrium emission, and describe the complete nucleon emission spectra and angular distributions quantum mechanically. We compare theoretical calculations of (n,n') and (n,p) reactions on 93 Nb at energies of 14, 20, and 25.7 MeV with experimental data. Our analysis suggests that the FKK theory should be modified to allow transitions from the MSD to MSC preequilibrium chains, and shows MSC processes to be less important than previously thought. We find that the MSD mechanism dominates preequilibrium emission even for incident neutron energies as low as 14 MeV. A model to account for preequilibrium flux cascading from the MSD to MSC chain is presented, and we check its validity with a least-squares fit to data which establishes the experimentally observed partitioning between MSD and MSC

  2. Global Controllability of Chemical Reactions

    OpenAIRE

    Drexler, Dániel András; Tóth, János

    2015-01-01

    Controllability of chemical reactions is an important problem in chemical engineering science. In control theory, analysis of the controllability of linear systems is well-founded, however the dynamics of chemical reactions is usually nonlinear. Global controllability properties of chemical reactions are analyzed here based on the Lie-algebra of the vector fields associated to elementary reactions. A chemical reaction is controllable almost everywhere if all the reaction rate coefficients can...

  3. Intellectual property enforcement at the EU border: the challenge of private imports

    DEFF Research Database (Denmark)

    Petersen, Clement Salung; Riis, Thomas; Schovsbo, Jens Hemmingsen

    2012-01-01

    commercial importers of counterfeit and pirated goods, a consumer who imports such goods for his or her private use does not infringe any intellectual property rights (IPR). This article discusses how and to what extent right holders may nonetheless use the Customs Regulation to enforce their IPR against...... private imports. After having dismissed the so-called “manufacturing fiction” following the decision of the ECJ in Philips/Nokia the article elaborates on an alternative method which is called the “infringing sale of goods-“approach and which may find support in the ECJ decision in L'Oréal and possibly...

  4. Catalyst Stability Benchmarking for the Oxygen Evolution Reaction: The Importance of Backing Electrode Material and Dissolution in Accelerated Aging Studies.

    Science.gov (United States)

    Geiger, Simon; Kasian, Olga; Mingers, Andrea M; Nicley, Shannon S; Haenen, Ken; Mayrhofer, Karl J J; Cherevko, Serhiy

    2017-09-18

    In searching for alternative oxygen evolution reaction (OER) catalysts for acidic water splitting, fast screening of the material intrinsic activity and stability in half-cell tests is of vital importance. The screening process significantly accelerates the discovery of new promising materials without the need of time-consuming real-cell analysis. In commonly employed tests, a conclusion on the catalyst stability is drawn solely on the basis of electrochemical data, for example, by evaluating potential-versus-time profiles. Herein important limitations of such approaches, which are related to the degradation of the backing electrode material, are demonstrated. State-of-the-art Ir-black powder is investigated for OER activity and for dissolution as a function of the backing electrode material. Even at very short time intervals materials like glassy carbon passivate, increasing the contact resistance and concealing the degradation phenomena of the electrocatalyst itself. Alternative backing electrodes like gold and boron-doped diamond show better stability and are thus recommended for short accelerated aging investigations. Moreover, parallel quantification of dissolution products in the electrolyte is shown to be of great importance for comparing OER catalyst feasibility. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    Surfaces of metal oxides play a vital role in many technologically important applications. The surfaces of titanium dioxide, in particular, show quite promising properties that can be utilized in solid-state gas sensing and photocatalysis applications. In the first part of this dissertation we investigate these properties of TiO2 surfaces through a vigorous surface scientific approach. In the second part, we investigate the possibilities of modifying the TiO2 surfaces by depositing multi-component transition metal oxide monolayers so that the properties of bare TiO2 surface can be influenced in a beneficial way. For instance, via formation of new surface sites or cations that have different valance states, the chemisorption and catalytic properties can be modified. We use sophisticated experimental surface science techniques that are compatible with ultra-high vacuum technology for surface characterization. All the experimental results, except for the photocatalysis experiments, were compared to and verified by supporting DFT-based theoretical results produced by our theory collaborators. TiO2 based solid-state gas sensors have been used before for detecting trace amounts of explosives such as 2,4-dinitrololuene (DNT), a toxic decomposition product of the explosive 2,4,6-trinitrotoluene (TNT) that have very low vapor pressure. However, the adsorption, desorption and reaction mechanism were not well- understood. Here, we investigate 2,4-DNT adsorption on rutile-TiO2(110) surface in order to gain insight about these mechanisms in an atomistic level and we propose an efficient way of desorbing DNT from the surface through UV-light induced photoreactions. TiO2 exists in different polymorphs and the photocatalytic activity differs from one polymorph to another. Rutile and anatase are the most famous forms of TiO2 in photocatalysis and anatase is known to show higher activity than rutile. The photoactivity also varies depending on the surface orientation for the same

  6. The Importance of Thermophysical Properties of Steels for the Numerical Simulation of a Concasting Process

    Directory of Open Access Journals (Sweden)

    Frantisek KAVICKA

    2010-12-01

    Full Text Available The thermophysical properties of steels have significant influence on the actual concasting process, and on the accuracy of its numerical simulation and optimization. The determination of these properties (heat conductivity, specific heat capacity and density in the solid and liquid states often requires more time than the actual numerical calculation of the temperature fields of a continuously cast steel billet, cylinder or slab (generally a concasting. The influence of individual properties should be neither under- nor over-estimated. Therefore, an analysis/parametric study of these thermophysical properties was conducted. The order of importance within the actual process and the accuracy of simulation and optimization were also determined. Individual properties, which, in some cases, were obtained from tables, and in others experimentally, were substituted by an approximation using orthogonal polynomials. The accuracy of each polynomial is dependent on the precision of individual values. The order of significance of individual thermophysical properties was determined with respect to the metallurgical length. The analysis was performed by means of a so-called calculation experiment, i.e. by means of the original and universal numerical concasting model developed by the authors of this paper. It is convenient to conduct such an analysis in order to facilitate the simulation of each individual case of concasting, thus enhancing the process of optimization.

  7. Kudi: A free open-source python library for the analysis of properties along reaction paths.

    Science.gov (United States)

    Vogt-Geisse, Stefan

    2016-05-01

    With increasing computational capabilities, an ever growing amount of data is generated in computational chemistry that contains a vast amount of chemically relevant information. It is therefore imperative to create new computational tools in order to process and extract this data in a sensible way. Kudi is an open source library that aids in the extraction of chemical properties from reaction paths. The straightforward structure of Kudi makes it easy to use for users and allows for effortless implementation of new capabilities, and extension to any quantum chemistry package. A use case for Kudi is shown for the tautomerization reaction of formic acid. Kudi is available free of charge at www.github.com/stvogt/kudi.

  8. Properties of the reverse transcription reaction in mRNA quantification

    DEFF Research Database (Denmark)

    Ståhlberg, Anders; Håkansson, Joakim; Xian, Xiaojie

    2004-01-01

    BACKGROUND: In most measurements of gene expression, mRNA is first reverse-transcribed into cDNA. We studied the reverse transcription reaction and its consequences for quantitative measurements of gene expression. METHODS: We used SYBR green I-based quantitative real-time PCR (QPCR) to measure...... the properties of reverse transcription reaction for the beta-tubulin, glyceraldehyde-3-phosphate dehydrogenase, Glut2, CaV1D, and insulin II genes, using random hexamers, oligo(dT), and gene-specific reverse transcription primers. RESULTS: Experimental variation in reverse transcription-QPCR (RT......-QPCR) was mainly attributable to the reverse transcription step. Reverse transcription efficiency depended on priming strategy, and the dependence was different for the five genes studied. Reverse transcription yields also depended on total RNA concentration. CONCLUSIONS: RT-QPCR gene expression measurements...

  9. Curing reaction of bisphenol-A based benzoxazine with cyanate ester resin and the properties of the cured thermosetting resin

    Directory of Open Access Journals (Sweden)

    H. Kimura

    2011-12-01

    Full Text Available Curing reaction of bisphenol-A based benzoxazine with cyanate ester resin and the properties of the cured thermosetting resin were investigated. The cure behavior of benzoxazine with cyanate ester resin was monitored by model reaction using nuclear magnetic resonance (NMR. As a result of the model reaction, the ring opening reaction of benzoxazine ring and thermal self-cyclotrimerization of cyanate ester group occurred, and then the phenolic hydoroxyl group generated by the ring opening reaction of benzoxazine ring co-reacted with cyanate ester group. The properties of the cured thermosetting resin were estimated by mechanical properties, electrical resistivity, water resistance and heat resistance. The cured thermosetting resin from benzoxazine and cyanate ester resin showed good heat resistance, high electrical resistivity and high water resistance, compared with the cured thermosetting resin from benzoxazine and epoxy resin.

  10. Antimicrobial properties of nest volatiles in red imported fire ants, Solenopsis invicta (hymenoptera: formicidae)

    Science.gov (United States)

    Wang, Lei; Elliott, Brad; Jin, Xixuan; Zeng, Ling; Chen, Jian

    2015-12-01

    The antimicrobial property of volatiles produced by red imported fire ants, Solenopsis invicta, against Beauveria bassiana, a common entomopathogenic fungus, was demonstrated. The germination rate of B. bassiana spores was significantly reduced after they were exposed to volatiles within an artificial ant nest. Since the air that contained the same level of O2 and CO2 as that in artificial fire ant nests did not suppress the germination rate of B. bassiana, the observed reduction of germination rate must be caused by the toxicity of nest volatiles. Nest fumigation may be an important component of the social immune system in S. invicta.

  11. Maillard Reaction in Natural Rubber Latex: Characterization and Physical Properties of Solid Natural Rubber

    Directory of Open Access Journals (Sweden)

    S. Montha

    2016-01-01

    Full Text Available Maillard reaction in Natural Rubber (NR latex was investigated by treating fresh NR latex with glutaraldehyde (C5H8O2 in amounts of 0, 50, 100, and 200 mmol/kg of latex. Protein cross-linking in fresh NR latex and solid NR was confirmed by using sodium dodecylsulfate polyacrylamide gel electrophoresis (SDS-PAGE and attenuated total reflection infrared (ATR-IR spectroscopy, respectively. It was found that degree of protein cross-linking in NR increased with increasing C5H8O2 concentration. Physical properties of untreated and treated NR substances in terms of gel content, initial Wallace plasticity (P0, plasticity retention index (PRI, Mooney viscosity, and tensile strength were carefully explored. Results clearly showed that the Maillard cross-linking of proteins had remarkable effect on bulk NR properties, that is, solvent resistance, hardness, resistance to oxidation, rheological behavior, and resistance to stretching out.

  12. Thermal effects of variable material properties and metamorphic reactions in a three-component subducting slab

    DEFF Research Database (Denmark)

    Chemia, Zurab; Dolejš, David; Steinle-Neumann, Gerd

    2015-01-01

    We explore the effects of variable material properties, phase transformations, and metamorphic devolatilization reactions on the thermal structure of a subducting slab using thermodynamic phase equilibrium calculations combined with a thermal evolution model. The subducting slab is divided...... into three layers consisting of oceanic sediments, altered oceanic crust, and partially serpentinized or anhydrous harzburgite. Solid-fluid equilibria and material properties are computed for each layer individually to illustrate distinct thermal consequences when chemical and mechanical homogenization...... indicate that subducting sediments and oceanic crust warm by 40 and 70°C, respectively, before the effect of wedge convection and heating is encountered at 1.7 GPa. Retention of fluid in the slab pore space plays a negligible role in oceanic crust and serpentinized peridotites. By contrast, the large...

  13. Determining the Most Important Soil Properties Affecting the Yield of Saffron in the Ghayenat Area

    Directory of Open Access Journals (Sweden)

    amir ranjbar

    2016-02-01

    Full Text Available Introduction: Saffron is one of the most important economic plants in the Khorasan province. Awareness of soil quality in agricultural lands is essential for the best management of lands and for obtaining maximum economic benefit. In general, plant growth is a function of environmental factors especially chemical and physical properties of soil (20. It has been demonstrated that there was a positive and high correlation between soil organic matter and saffron yield. Increasing the yield of saffron due to organic matter is probably due to soil nutrient, especially phosphorous and nitrogen and also improvement of soil physical quality (6, 28, 29. The yield of saffron in soils with high nitrogen as a result of vegetative growth is high (8. Shahandeh (6 found that most of the variation of saffron yield depends on soil properties. Due to the economic importance of saffron and the role of soil properties on saffron yield, this research was conducted to find the relationship between saffron yield and some soil physical and chemical properties, and to determine the contribution of soil properties that have the greatest impact on saffron yield in the Ghayenat area. Materials and Methods: This research was performed in 30 saffron fields (30 soil samples of the Ghayenat area (longitude 59° 10΄ 10.37˝ - 59° 11΄ 38.41˝ and latitude 33° 43΄ 35.08˝ - 33΄ 44΄ 02.78˝, which is located in the Khrasan province of Iran. In this research, 21 soil properties were regarded as the total data set (TDS. Then the principal component analysis (PCA was used to determine the most important soil properties affecting saffron yield as a minimum data set (MDS and the stepwise regression to estimate saffron yield. To estimate the yield of saffron in stepwise regression method, saffron yield was considered as a dependent variable and soil physical and chemical properties were considered to be independent variables. Results and Discussion: According to the PCA method

  14. Synthesising and comparing electrical properties of NTC thermistors prepared from nano powder and solid state reaction

    International Nuclear Information System (INIS)

    Azad, N.; Ghanbari Shohany, B.; Hosseini, S. M.; Kompany, A.

    2011-01-01

    In this research, NTC thermistors with composition of NiMn 2-x Co x O 4 (x = 0.4, 0.8, 1.2, 1.6) prepared by two methods: solid state reaction and sol-gel (gel-combustion). The average particle size was monitored and structure of the calcinated powders have been investigated using x-ray diffraction and tunneling electron microscopy techniques. The average particle size was estimated to be about 65 nm with the cubic and cubic + tetragonal phases for low and high cobalt concentrations, respectively. The grain size of samples verifies with scanning electron microscopy images. Upon increasing the cobalt fraction, the grain size of samples increases from about 2μm to a few μm in size. The electrical properties of these thermistors depend on the grain size. The grain size of samples made from sol-gel is smaller than from solid state reaction under the same condition. For longer sintering time of the samples prepared by gel-combustion method, the grain size was increased then the electrical parameters of nano powder improved and we obtain better results than the samples prepared from solid state reaction.

  15. Studies of Catalytic Properties of Inorganic Rock Matrices in Redox Reactions

    Directory of Open Access Journals (Sweden)

    Nikolay M. Dobrynkin

    2017-09-01

    Full Text Available Intrinsic catalytic properties of mineral matrices of various kinds (basalts, clays, sandstones were studied, which are of interest for in-situ heavy oil upgrading (i.e., underground to create advanced technologies for enhanced oil recovery. The elemental, surface and phase composition and matrix particle morphology, surface and acidic properties were studied using elemental analysis, X-ray diffraction, adsorption and desorption of nitrogen and ammonia. The data on the catalytic activity of inorganic matrices in ammonium nitrate decomposition (reaction with a large gassing, oxidation of hydrocarbons and carbon monoxide, and hydrocracking of asphaltenes into maltenes (the conversion of heavy hydrocarbons into more valuable light hydrocarbons were discussed. In order to check their applicability for the asphaltenes hydrocracking catalytic systems development, basalt and clay matrices were used as supports for iron/basalt, nickel/basalt and iron/clay catalysts. The catalytic activity of the matrices in the reactions of the decomposition of ammonium nitrate, oxidation of hydrocarbons and carbon monoxide, and hydrocracking of asphaltens was observed for the first time.

  16. Importance of Broken Gauge Symmetry in Addressing Three, Key, Unanswered Questions Posed by Low Nuclear Reactions (LENR's)

    Science.gov (United States)

    Chubb, Scott

    2003-03-01

    Three, Key, Unanswered Questions posed by LENR's are: 1. How do we explain the lack of high energy particles (HEP's)? 2. Can we understand and prioritize the way coupling can occur between nuclear- and atomic- lengthscales, and 3. What are the roles of Surface-Like (SL), as opposed to Bulk-Like (BL), processes in triggering nuclear phenomena. One important source of confusion associated with each of these questions is the common perception that the quantum mechanical phases of different particles are not correlated with each other. When the momenta p of interacting particles is large, and reactions occur rapidly (between HEP's, for example), this is a valid assumption. But when the relative difference in p becomes vanishingly small, between one charge, and many others, as a result of implicit electromagnetic coupling, each charge can share a common phase, relative to the others, modulo 2nπ, where n is an integer, even when outside forces are introduced. The associated forms of broken gauge symmetry, distinguish BL from SL phenomena, at room temperature, also explain super- and normal- conductivity in solids, and can be used to address the Three, Key, Unanswered Questions posed by LENR's.

  17. Effect of reaction temperature on structure and fluorescence properties of nitrogen-doped carbon dots

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yi [Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology), Ministry of Education, Taiyuan 030024 (China); College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Department of Chemistry and Chemical Engineering, Lyuliang University, Lyuliang 033001 (China); Research Center on Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Wang, Yaling [Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology), Ministry of Education, Taiyuan 030024 (China); Research Center on Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Feng, Xiaoting [Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology), Ministry of Education, Taiyuan 030024 (China); College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Zhang, Feng [Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology), Ministry of Education, Taiyuan 030024 (China); Research Center on Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Yang, Yongzhen, E-mail: yyztyut@126.com [Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology), Ministry of Education, Taiyuan 030024 (China); Research Center on Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Liu, Xuguang, E-mail: liuxuguang@tyut.edu.cn [Key Laboratory of Interface Science and Engineering in Advanced Materials (Taiyuan University of Technology), Ministry of Education, Taiyuan 030024 (China); College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

    2016-11-30

    Highlights: • Nitrogen-doped carbon dots (NCDs) from ammonia solution and citric acid were synthesized at different temperatures. • Quantum yield (QY) of NCDs depends largely on the amount of fluorescent polymer chains (FPC), more FPC gives higher QY. • The law of QY of NCDs first increase and then decrease with the reaction temperature increased is found and explained. • Nitrogen doping plays significant role in getting increased UV–vis absorption and QY. - Abstract: To investigate the effect of reaction temperature and nitrogen doping on the structure and fluorescence properties of carbon dots (CDs), six kinds of nitrogen-doped CDs (NCDs) were synthesized at reaction temperatures of 120, 140, 160, 180, 200 and 220 °C, separately, by using citric acid as carbon source and ammonia solution as nitrogen source. Nitrogen-free CDs (N-free CDs-180) was also prepared at 180 °C by using citric acid as the only carbon source for comparison. Results show that reaction temperature has obvious effect on carbonization degree, quantum yield (QY), ultraviolet-visible (UV–vis) absorption and photoluminescence (PL) spectra but less effect on functional groups, nitrogen doping degree and fluorescence lifetime of NCDs. Compared with N-free CDs-180, NCDs-180 possesses enchanced QY and longer fluorescence lifetime. Doping nitrogen has obvious effect on UV–vis absorption and PL spectra but less effect on particles sizes and carbonization degree. The formation mechanism of NCDs is explored: QY of NCDs depends largely on the number of fluorescent polymer chains (FPC), the competition between FPC formation on the surface of NCDs and carbon core growth leads to the change in number of FPC, and consequently to the NCDs with highest QY at appropriate hydrothermal temperature.

  18. The reaction O((3)P) + HOBr: Temperature dependence of the rate constant and importance of the reaction as an HOBr stratospheric loss process

    Science.gov (United States)

    Nesbitt, F. L.; Monks, P. S.; Payne, W. A.; Stief, L. J.; Toumi, R.

    1995-01-01

    The absolute rate constant for the reaction O((3)P) + HOBr has been measured between T = 233K and 423K using the discharge-flow kinetic technique coupled to mass spectrometric detection. The value of the rate coefficient at room temperature is (2.5 +/- 0.6) x 10(exp -11)cu cm/molecule/s and the derived Arrhenius expression is (1.4 +/- 0.5) x 10(exp -10) exp((-430 +/- 260)/T)cu cm/molecule/s. From these rate data the atmospheric lifetime of HOBr with respect to reaction with O((3)P) is about 0.6h at z = 25 km which is comparable to the photolysis lifetime based on recent measurements of the UV cross section for HOBr. Implications for HOBr loss in the stratosphere have been tested using a 1D photochemical box model. With the inclusion of the rate parameters and products for the O + HOBr reaction, calculated concentration profiles of BrO increase by up to 33% around z = 35 km. This result indicates that the inclusion of the O + HOBr reaction in global atmospheric chemistry models may have an impact on bromine partitioning in the middle atmosphere.

  19. Properties important to mixing and simulant recommendations for WTP full-scale vessel testing

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M. R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Martino, C. J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-12-01

    Full Scale Vessel Testing (FSVT) is being planned by Bechtel National, Inc., to demonstrate the ability of the standard high solids vessel design (SHSVD) to meet mixing requirements over the range of fluid properties planned for processing in the Pretreatment Facility (PTF) of the Hanford Waste Treatment and Immobilization Plant (WTP). Testing will use simulated waste rather than actual Hanford waste. Therefore, the use of suitable simulants is critical to achieving the goals of the test program. WTP personnel requested the Savannah River National Laboratory (SRNL) to assist with development of simulants for use in FSVT. Among the tasks assigned to SRNL was to develop a list of waste properties that are important to pulse-jet mixer (PJM) performance in WTP vessels with elevated concentrations of solids.

  20. Hydrolysis of Surfactants Containing Ester Bonds: Modulation of Reaction Kinetics and Important Aspects of Surfactant Self-Assembly

    Science.gov (United States)

    Lundberg, Dan; Stjerndahl, Maria

    2011-01-01

    The effects of self-assembly on the hydrolysis kinetics of surfactants that contain ester bonds are discussed. A number of examples on how reaction rates and apparent reaction orders can be modulated by changes in the conditions, including an instance of apparent zero-order kinetics, are presented. Furthermore, it is shown that the examples on…

  1. Mechanical properties of thermoelectric n-type magnesium silicide synthesized employing in situ spark plasma reaction sintering

    Science.gov (United States)

    Muthiah, Saravanan; Singh, R. C.; Pathak, B. D.; Dhar, Ajay

    2017-07-01

    Thermoelectric devices employing magnesium silicide (Mg2Si) offer an inexpensive and non-toxic solution for green energy generation compared to other existing conventional thermoelectric materials in the mid-temperature range. However, apart from the thermoelectric performance, their mechanical properties are equally important in order to avoid the catastrophic failure of their modules during actual operation. In the present study, we report the synthesis of Mg2Si co-doped with Bi and Sb employing in situ spark plasma reaction sintering and investigate its broad range of mechanical properties. The mechanical properties of the sintered co-doped Mg2Si suggest a significantly enhanced value of hardness ~5.4  ±  0.2 GPa and an elastic modulus ~142.5  ±  6 GPa with a fracture toughness of ~1.71  ±  0.1 MPa  √m. The thermal shock resistance, which is one of the most vital parameter for designing thermoelectric devices, was found to be ~300 W m-1, which is higher than most of the other existing state-of-the-art mid-temperature thermoelectric materials. The friction and wear characteristics of sintered co-doped Mg2Si have been reported for the first time, in order to realize the sustainability of their thermoelectric modules under actual hostile environmental conditions.

  2. A hydrogen-bonding network is important for oxidation and isomerization in the reaction catalyzed by cholesterol oxidase

    International Nuclear Information System (INIS)

    Lyubimov, Artem Y.; Chen, Lin; Sampson, Nicole S.; Vrielink, Alice

    2009-01-01

    The importance of active-site electrostatics for oxidative and reductive half-reactions in a redox flavoenzyme (cholesterol oxidase) have been investigated by a combination of biochemistry and atomic resolution crystallography. A detailed examination of active-site dynamics demonstrates that the oxidation of substrate and the re-oxidation of the flavin cofactor by molecular oxygen are linked by a single active-site asparagine. Cholesterol oxidase is a flavoenzyme that catalyzes the oxidation and isomerization of 3β-hydroxysteroids. Structural and mutagenesis studies have shown that Asn485 plays a key role in substrate oxidation. The side chain makes an NH⋯π interaction with the reduced form of the flavin cofactor. A N485D mutant was constructed to further test the role of the amide group in catalysis. The mutation resulted in a 1800-fold drop in the overall k cat . Atomic resolution structures were determined for both the N485L and N485D mutants. The structure of the N485D mutant enzyme (at 1.0 Å resolution) reveals significant perturbations in the active site. As predicted, Asp485 is oriented away from the flavin moiety, such that any stabilizing interaction with the reduced flavin is abolished. Met122 and Glu361 form unusual hydrogen bonds to the functional group of Asp485 and are displaced from the positions they occupy in the wild-type active site. The overall effect is to disrupt the stabilization of the reduced FAD cofactor during catalysis. Furthermore, a narrow transient channel that is shown to form when the wild-type Asn485 forms the NH⋯π interaction with FAD and that has been proposed to function as an access route of molecular oxygen, is not observed in either of the mutant structures, suggesting that the dynamics of the active site are altered

  3. Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl

    Science.gov (United States)

    Marcondes, Michel L.; Wentzcovitch, Renata M.; Assali, Lucy V. C.

    2018-05-01

    Thermal equations of state (EOS) are essential in several scientific domains. However, experimental determination of EOS parameters may be limited at extreme conditions, therefore, ab initio calculations have become an important method to obtain them. Density functional theory (DFT) and its extensions with various degrees of approximations for the exchange and correlation (XC) energy is the method of choice, but large errors in the EOS parameters are still common. The alkali halides have been problematic from the onset of this field and the quest for appropriate DFT functionals for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate vibrational properties, thermal EOS, thermodynamic properties, and the B1 to B2 phase boundary of NaCl with high precision. Our results reveal a remarkable improvement over the performance of standard local density approximation and generalized gradient approximation functionals for all these properties and phase transition boundary, as well as great sensitivity of anharmonic effects on the choice of XC functional.

  4. Properties of halloysite nanotube-epoxy resin hybrids and the interfacial reactions in the systems

    Energy Technology Data Exchange (ETDEWEB)

    Liu Mingxian; Guo Baochun; Du Mingliang; Cai Xiaojia; Jia Demin [Department of Polymer Materials and Engineering, South China University of Technology, Guangzhou 510640 (China)

    2007-11-14

    A naturally occurred microtubullar silicate, halloysite nanotubes (HNTs), was co-cured with epoxy/cyanate ester resin to form organic-inorganic hybrids. The coefficient of thermal expansion (CTE) of the hybrids with low HNT concentration was found to be substantially lower than that of the plain cured resin. The moduli of the hybrids in the glassy state and rubbery state were significantly higher than those for the plain cured resin. The dispersion of HNTs in the resin matrix was very uniform as revealed by the transmission electron microscopy (TEM) results. The interfacial reactions between the HNTs and cyanate ester (CE) were revealed by the results of Fourier transform infrared spectroscopy (FTIR) and x-ray photoelectron spectroscopy (XPS). The substantially increased properties of the hybrids were attributed to the covalent bonding between the nanotubes and the matrix.

  5. Properties of halloysite nanotube-epoxy resin hybrids and the interfacial reactions in the systems

    International Nuclear Information System (INIS)

    Liu Mingxian; Guo Baochun; Du Mingliang; Cai Xiaojia; Jia Demin

    2007-01-01

    A naturally occurred microtubullar silicate, halloysite nanotubes (HNTs), was co-cured with epoxy/cyanate ester resin to form organic-inorganic hybrids. The coefficient of thermal expansion (CTE) of the hybrids with low HNT concentration was found to be substantially lower than that of the plain cured resin. The moduli of the hybrids in the glassy state and rubbery state were significantly higher than those for the plain cured resin. The dispersion of HNTs in the resin matrix was very uniform as revealed by the transmission electron microscopy (TEM) results. The interfacial reactions between the HNTs and cyanate ester (CE) were revealed by the results of Fourier transform infrared spectroscopy (FTIR) and x-ray photoelectron spectroscopy (XPS). The substantially increased properties of the hybrids were attributed to the covalent bonding between the nanotubes and the matrix

  6. Functional properties of nisin-carbohydrate conjugates formed by radiation induced Maillard reaction

    Science.gov (United States)

    Muppalla, Shobita R.; Sonavale, Rahul; Chawla, Surinder P.; Sharma, Arun

    2012-12-01

    Nisin-carbohydrate conjugates were prepared by irradiating nisin either with glucose or dextran. Increase in browning and formation of intermediate products was observed with a concomitant decrease in free amino and reducing sugar groups indicating occurrence of the Maillard reaction catalyzed by irradiation. Nisin-carbohydrate conjugates showed a broad spectrum antibacterial activity against Gram negative bacteria (Escherichia coli, Pseudomonas fluorescence) as well as Gram positive bacteria (Staphylococcus aureus, Bacillus cereus). Results of antioxidant assays, including that of DPPH radical-scavenging activity and reducing power, showed that the nisin-dextran conjugates possessed better antioxidant potential than nisin-glucose conjugate. These results suggested that it was possible to enhance the functional properties of nisin by preparing radiation induced conjugates suitable for application in food industry.

  7. Functional properties of nisin–carbohydrate conjugates formed by radiation induced Maillard reaction

    International Nuclear Information System (INIS)

    Muppalla, Shobita R.; Sonavale, Rahul; Chawla, Surinder P.; Sharma, Arun

    2012-01-01

    Nisin–carbohydrate conjugates were prepared by irradiating nisin either with glucose or dextran. Increase in browning and formation of intermediate products was observed with a concomitant decrease in free amino and reducing sugar groups indicating occurrence of the Maillard reaction catalyzed by irradiation. Nisin–carbohydrate conjugates showed a broad spectrum antibacterial activity against Gram negative bacteria (Escherichia coli, Pseudomonas fluorescence) as well as Gram positive bacteria (Staphylococcus aureus, Bacillus cereus). Results of antioxidant assays, including that of DPPH radical-scavenging activity and reducing power, showed that the nisin–dextran conjugates possessed better antioxidant potential than nisin–glucose conjugate. These results suggested that it was possible to enhance the functional properties of nisin by preparing radiation induced conjugates suitable for application in food industry. - Highlights: ► Nisin–carbohydrate conjugates were prepared using radiation induced Maillard reaction. ► Conjugation of nisin with dextran/glucose resulted in improvement of antibacterial spectrum. ► Conjugates of nisin with dextran/glucose had significant radical scavenging activity.

  8. Oxidoreduction reactions involving the electrostatic and the covalent complex of cytochrome c and plastocyanin: Importance of the protein rearrangement for the intracomplex electron-transfer reaction

    International Nuclear Information System (INIS)

    Peerey, L.M.; Kostic, N.M.

    1989-01-01

    Horse heart cytochrome c and French bean plastocyanin are cross-linked one-to-one by a carbodiimide in the same general orientation in which they associate electrostatically. The reduction potentials of the Fe and Cu atoms in the covalent diprotein complex are respectively 245 and 385 mV vs NHE; the EPR spectra of the two metals are not perturbed by cross-linking. For isomers of the covalent diprotein complex, which probably differ slightly from one another in the manner of cross-linking, are separated efficiently by cation-exchange chromatography. Stopped-flow spectrophotometric experiments with the covalent diprotein complex show that the presence of plastocyanin somewhat inhibits oxidation of ferrocytochrome c by [Fe(CN) 6 ] 3- and somewhat promotes oxidation of this protein by [Fe(C 5 H 5 ) 2 ] + . These changes in reactivity are explained in terms of electrostatic and steric effects. Pulse-radiolysis experiments with the electrostatic diprotein complex yield association constants of ≥5 x 10 6 and 1 x 10 5 M -1 at ionic strengths of 1 and 40 mM, respectively, and the rate constant of 1.05 x 10 3 s -1 , regardless of the ionic strength, for the intracomplex electron-transfer reaction. Analogous pulse-radiolysis experiments with each of the four isomers of the covalent diprotein complex, at ionic strengths of both 2 and 200 mM, show an absence of the intracomplex electron-transfer reaction. A rearrangement of the proteins for this reaction seems to be possible (or unnecessary) in the electrostatic complex but impossible in the covalent complex

  9. Antioxidative, Antibacterial, and Food Functional Properties of the Half-Fin Anchovy Hydrolysates-Glucose Conjugates Formed via Maillard Reaction

    Directory of Open Access Journals (Sweden)

    Ru Song

    2016-06-01

    Full Text Available The antioxidative, antibacterial, and food functional properties of the half-fin anchovy hydrolysates (HAHp-glucose conjugates formed by Maillard reaction (MR were investigated, respectively. Results of sugar and amino acid contents loss rates, browning index, and molecular weight distribution indicated that the initial pH of HAHp played an important role in the process of MR between HAHp and glucose. HAHp-glucose Maillard reaction products (HAHp-G MRPs demonstrated enhanced antioxidative activities of reducing power and scavenging DPPH radicals compared to control groups. HAHp-G MRPs produced from the condition of pH 9.6 displayed the strongest reducing power. The excellent scavenging activity on DPPH radicals was found for HAHp(5.6-G MRPs which was produced at pH 5.6. Additionally, HAHp(5.6-G MRPs showed variable antibacterial activities against Escherichia coli, Pseudomonas fluorescens, Proteus vulgaris, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, Bacillus megaterium, and Sarcina lutea, with the MIC values ranging from 8.3 to 16.7 μg/mL. Result of scanning electron microscopy (SEM on E. coli suggested that HAHp(5.6-G MRPs exhibited antibacterial activity by destroying the cell integrity through membrane permeabilization. Moreover, HAHp(5.6-G MRPs had excellent foaming ability and stability at alkaline conditions of pH 8.0, and showed emulsion properties at acidic pH 4.0. These results suggested that specific HAHp-G MRPs should be promising functional ingredients used in foods.

  10. Antioxidative, Antibacterial, and Food Functional Properties of the Half-Fin Anchovy Hydrolysates-Glucose Conjugates Formed via Maillard Reaction.

    Science.gov (United States)

    Song, Ru; Yang, Peiyu; Wei, Rongbian; Ruan, Guanqiang

    2016-06-20

    The antioxidative, antibacterial, and food functional properties of the half-fin anchovy hydrolysates (HAHp)-glucose conjugates formed by Maillard reaction (MR) were investigated, respectively. Results of sugar and amino acid contents loss rates, browning index, and molecular weight distribution indicated that the initial pH of HAHp played an important role in the process of MR between HAHp and glucose. HAHp-glucose Maillard reaction products (HAHp-G MRPs) demonstrated enhanced antioxidative activities of reducing power and scavenging DPPH radicals compared to control groups. HAHp-G MRPs produced from the condition of pH 9.6 displayed the strongest reducing power. The excellent scavenging activity on DPPH radicals was found for HAHp(5.6)-G MRPs which was produced at pH 5.6. Additionally, HAHp(5.6)-G MRPs showed variable antibacterial activities against Escherichia coli, Pseudomonas fluorescens, Proteus vulgaris, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, Bacillus megaterium, and Sarcina lutea, with the MIC values ranging from 8.3 to 16.7 μg/mL. Result of scanning electron microscopy (SEM) on E. coli suggested that HAHp(5.6)-G MRPs exhibited antibacterial activity by destroying the cell integrity through membrane permeabilization. Moreover, HAHp(5.6)-G MRPs had excellent foaming ability and stability at alkaline conditions of pH 8.0, and showed emulsion properties at acidic pH 4.0. These results suggested that specific HAHp-G MRPs should be promising functional ingredients used in foods.

  11. Spectroscopic properties of reaction center pigments in photosystem II core complexes: revision of the multimer model.

    Science.gov (United States)

    Raszewski, Grzegorz; Diner, Bruce A; Schlodder, Eberhard; Renger, Thomas

    2008-07-01

    Absorbance difference spectra associated with the light-induced formation of functional states in photosystem II core complexes from Thermosynechococcus elongatus and Synechocystis sp. PCC 6803 (e.g., P(+)Pheo(-),P(+)Q(A)(-),(3)P) are described quantitatively in the framework of exciton theory. In addition, effects are analyzed of site-directed mutations of D1-His(198), the axial ligand of the special-pair chlorophyll P(D1), and D1-Thr(179), an amino-acid residue nearest to the accessory chlorophyll Chl(D1), on the spectral properties of the reaction center pigments. Using pigment transition energies (site energies) determined previously from independent experiments on D1-D2-cytb559 complexes, good agreement between calculated and experimental spectra is obtained. The only difference in site energies of the reaction center pigments in D1-D2-cytb559 and photosystem II core complexes concerns Chl(D1). Compared to isolated reaction centers, the site energy of Chl(D1) is red-shifted by 4 nm and less inhomogeneously distributed in core complexes. The site energies cause primary electron transfer at cryogenic temperatures to be initiated by an excited state that is strongly localized on Chl(D1) rather than from a delocalized state as assumed in the previously described multimer model. This result is consistent with earlier experimental data on special-pair mutants and with our previous calculations on D1-D2-cytb559 complexes. The calculations show that at 5 K the lowest excited state of the reaction center is lower by approximately 10 nm than the low-energy exciton state of the two special-pair chlorophylls P(D1) and P(D2) which form an excitonic dimer. The experimental temperature dependence of the wild-type difference spectra can only be understood in this model if temperature-dependent site energies are assumed for Chl(D1) and P(D1), reducing the above energy gap from 10 to 6 nm upon increasing the temperature from 5 to 300 K. At physiological temperature, there are

  12. Properties of ZnO Nano rods Arrays Growth via Low Temperature Hydrothermal Reaction

    International Nuclear Information System (INIS)

    Nur Syafinaz Ridhuan; Zainovia Lockman; Azlan Abdul Aziz; Azlan Abdul Aziz; Khairunisak Abdul Razak; Khairunisak Abdul Razak

    2011-01-01

    This work describes properties of 1- D ZnO nano rods (NRs) arrays growth using low temperature hydrothermal method on seeded substrate. The properties of ZnO seed were studied by varying annealed temperature from 250-450 degree Celsius. The optimum oxidation temperature to produce seeded ZnO template was 400 degree Celsius. The formations of ZnO NRs were further studied by varying hydrothermal reaction growth time from 1 to 24 hours. I-V characteristic of ZnO NRs photodetector in dark, ambient light and UV light were also studied. The change in the photoconductivity under UV illumination was found to be 1 order higher in magnitude compared to dark current and ambient light. With an incident wavelength of 370 nm and applied bias of 3V, the responsivity of photodetector was 5.0 mA/ W, which was higher compared to other reported works. The increase of photosensitivity indicated that the produced ZnO NRs were suitable for UV photodetector applications.(author)

  13. Room temperature photoluminescence properties of ZnO nanorods grown by hydrothermal reaction

    Energy Technology Data Exchange (ETDEWEB)

    Iwan, S., E-mail: iwan-sugihartono@unj.ac.id [Jurusan Fisika, FMIPA-UNJ, Rawamangun, Jakarta (Indonesia); Prodi Ilmu Material, Departemen Fisika, FMIPA, Universitas Indonesia, Kampus UI Depok (Indonesia); Fauzia, Vivi [Prodi Ilmu Material, Departemen Fisika, FMIPA, Universitas Indonesia, Kampus UI Depok (Indonesia); Umar, A. A. [Institute of Microengineering and Nanoelectronics, Universiti Kebangsaan Malaysia, UKM Bangi, Selangor (Malaysia); Sun, X. W. [School of Electrical & Electronic Engineering, Nanyang Technological University, Nanyang Avenue (Singapore)

    2016-04-19

    Zinc oxide (ZnO) nanorods were fabricated by a hydrothermal reaction on silicon (Si) substrate at 95 °C for 6 hours. The ZnO seed layer was fabricated by depositing ZnO thin films on Si substrates by ultrasonic spray pyrolisis (USP). The annealing effects on crystal structure and optical properties of ZnO nanorods were investigated. The post-annealing treatment was performed at 800 °C with different environments. The annealed of ZnO nanorods were characterized by X-ray diffraction (XRD) and photoluminescence (PL) in order to analyze crystal structure and optical properties, respectively. The results show the orientations of [002], [101], [102], and [103] diffraction peaks were observed and hexagonal wurtzite structure of ZnO nanorods were vertically grown on Si substrates. The room temperature PL spectra show ultra-violet (UV) and visible emissions. The annealed of ZnO nanorods in vacuum condition (3.8 × 10{sup −3} Torr) has dominant UV emission. Meanwhile, non-annealed of ZnO nanorods has dominant visible emission. It was expected that the annealed of ZnO in vacuum condition suppresses the existence of native defects in ZnO nanorods.

  14. Assessment of sorption properties and kinetic reaction of phosphorus reactive material to limit diffuse pollution

    Directory of Open Access Journals (Sweden)

    Bus Agnieszka

    2017-09-01

    Full Text Available Assessment of sorption properties and kinetic reaction of phosphorus reactive material to limit diffuse pollution. Polonite® is an effective reactive material (manufactured from opoka rock for removing phosphorus from aqueous solutions. In conducted experiments, Polonite® of grain size of 2–5 mm was used as a potential reactive material which can be used as a filter fulfillment to reduce phosphorus diffuse pollution from agriculture areas. Kinetic and equilibrium studies (performed as a batch experiment were carried out as a function of time to evaluate the sorption properties of the material. The obtained results show that Polonite® effectively removes such contamination. All tested concentrations (0.998, 5.213, 10.965 mg P-PO4·L−1 are characterized by a better fit to pseudo-second kinetic order. The Langmuir isotherm the best reflects the mechanism of adsorption process in case of Polonite® and based on the isotherm, calculated maximum adsorption capacity equals 96.58 mg P-PO4·g−1.

  15. Influence of the initial grain size of silicon on microstructure and mechanical properties of reaction-sintered silicon nitride

    International Nuclear Information System (INIS)

    Heinrich, J.

    1977-01-01

    The influence of the initial grain size of the silicon powder on the microstructure and the resulting mechanical properties are studied. The smaller the grain size of the silicon powders used, the higher will be the degree of reaction at the beginning of the nitridation reaction and the higher the amount of α-modification in the fully nitridated samples. Moreover, the nitrification time can be considerably shortened when fine-grained silicon powders ( [de

  16. Direct Enantioselective Reaction between Hemiacetals and Phosphorus Ylides: Important Role of a By-Product in the Asymmetric Transformation.

    Science.gov (United States)

    Wang, Rui; Wang, Linqing; Yang, Dongxu; Li, Dan; Liu, Xihong; Wang, Pengxin; Wang, Kezhou; Zhu, Haiyong; Bai, Lutao

    2018-05-16

    By employing a simple in-situ generated magnesium catalyst, the direct asymmetric reaction between hemiacetals and P-ylides is achieved via a tandem Wittig-oxa-Michael reaction sequence. Enantioenriched chromans, isochromans and tetrahydropyrans can be obtained in good chemical yields. (-)-Erythrococcamide B can be asymmetrically synthesized through this synthetic technique. In this work, the by-product, TPO, was identified as a necessary additive in this asymmetric synthetic method. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Investigations on Important Properties of the 10 cm x 10 cm GEM Prototype

    CERN Document Server

    Saenboonruang, Kiadtisak; Kulasri, Kittipong; Ritthirong, Anawat

    2015-01-01

    The Gas Electron Multiplier (GEM) detector is one of promising particle and radiation detectors that has been improved greatly from previous gas detectors. The improvement includes better spatial resolutions, higher detection rate capabilities, and flexibilities in designs. In particular, the 10 cm x 10 cm GEM prototype is designed and provided by the Gas Detectors Development group (GDD) at CERN, Switzerland. With its simplicity in operations and designs, while still maintaining high qualities, the GEM prototype is suitable for both start-up and advanced researches. This article aims to report the investigations on some important properties of the 10 cm x 10 cm GEM detector using current measurement and signal counting. Results have shown that gains of the GEM prototype exponentially increase as voltage supplied to the detector increases, while the detector reaches full efficiency (plateau region) when the voltage is greater than 4100 V. In terms of signal sharing between X and Y strips of the readout, X str...

  18. Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

    Science.gov (United States)

    Dutta, Achintya Kumar; Dar, Manzoor; Vaval, Nayana; Pal, Sourav

    2014-02-27

    We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOX chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

  19. Bacterial Reaction Centers Purified with Styrene Maleic Acid Copolymer Retain Native Membrane Functional Properties and Display Enhanced Stability**

    Science.gov (United States)

    Swainsbury, David J K; Scheidelaar, Stefan; van Grondelle, Rienk; Killian, J Antoinette; Jones, Michael R

    2014-01-01

    Integral membrane proteins often present daunting challenges for biophysical characterization, a fundamental issue being how to select a surfactant that will optimally preserve the individual structure and functional properties of a given membrane protein. Bacterial reaction centers offer a rare opportunity to compare the properties of an integral membrane protein in different artificial lipid/surfactant environments with those in the native bilayer. Here, we demonstrate that reaction centers purified using a styrene maleic acid copolymer remain associated with a complement of native lipids and do not display the modified functional properties that typically result from detergent solubilization. Direct comparisons show that reaction centers are more stable in this copolymer/lipid environment than in a detergent micelle or even in the native membrane, suggesting a promising new route to exploitation of such photovoltaic integral membrane proteins in device applications. PMID:25212490

  20. L-Selectride-Mediated Highly Diastereoselective Asymmetric Reductive Aldol Reaction: Access to an Important Subunit for Bioactive Molecules

    OpenAIRE

    Ghosh, Arun K.; Kass, Jorden; Anderson, David D.; Xu, Xiaoming; Marian, Christine

    2008-01-01

    L-Selectride reduction of a chiral or achiral enone followed by reaction of the resulting enolate with optically active α-alkoxy aldehydes proceeded with excellent diastereoselectivity. The resulting α,α-dimethyl-β-hydroxy ketones are inherent to a variety of biologically active natural products.

  1. L-selectride-mediated highly diastereoselective asymmetric reductive aldol reaction: access to an important subunit for bioactive molecules.

    Science.gov (United States)

    Ghosh, Arun K; Kass, Jorden; Anderson, David D; Xu, Xiaoming; Marian, Christine

    2008-11-06

    L-selectride reduction of a chiral or achiral enone followed by reaction of the resulting enolate with optically active alpha-alkoxy aldehydes proceeded with excellent diastereoselectivity. The resulting alpha,alpha-dimethyl-beta-hydroxy ketones are inherent to a variety of biologically active natural products.

  2. MOF derived Ni/Co/NC catalysts with enhanced properties for oxygen evolution reaction

    Science.gov (United States)

    Hu, Jiapeng; Chen, Juan; Lin, Hao; Liu, Ruilai; Yang, Xiaobing

    2018-03-01

    Designing efficient electrocatalysts for oxygen evolution reaction (OER) is very important for renewable energy storage and conversion devices. In this paper, we introduced a new strategy to synthesize Ni doped Co/NC catalysts (NC is the abbreviation of nitrogen-doped graphitic carbon), which were derived from ZIF-67. All catalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM) and oxygen evolution reaction (OER). The results show that Ni was well doped in the Ni/Co/NC catalysts and the doping of Ni has great influence on the OER activity of Ni/Co/NC catalysts. Among these catalysts, 0.50Ni/Co/NC exhibits the highest OER activity. The onset potential of 0.50Ni/Co/NC is 1.47 V, which is superior than the onset potential of Co/NC (1.54 V), 0.25Ni/Co/NC (1.48 V), 1.00Ni/Co/NC (1.53 V). The excellent OER activity of 0.50Ni/Co/NC catalyst makes its potential to be used on renewable energy storage.

  3. Effect of acid concentration and pulp properties on hydrolysis reactions of mercerized sisal.

    Science.gov (United States)

    Lacerda, Talita M; Zambon, Márcia D; Frollini, Elisabete

    2013-03-01

    The influence of sulfuric acid concentration (H2SO4 5-25%, 100°C), crystallinity and fibers size on the hydrolysis reaction of sisal pulps were investigated, with the goal of evaluating both the liquor composition, as an important step in the production of bioethanol, and the residual non-hydrolyzed pulp, to determine its potential application as materials. Aliquots were withdrawn from the reaction media, and the liquor composition was analyzed by HPLC. The residual non-hydrolyzed pulps were characterized by SEM, their average molar mass and crystallinity index, and their size distribution was determined using a fiber analyzer. Sulfuric acid 25% led to the highest glucose content (approximately 10gL(-1)), and this acid concentration was chosen to evaluate the influence of both the fiber size and crystallinity of the starting pulp on hydrolysis. The results showed that fibers with higher length and lower crystallinity favored glucose production in approximately 12%, with respect to the highly crystalline shorter fibers. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Transport Properties of a Kinetic Model for Chemical Reactions without Barriers

    International Nuclear Information System (INIS)

    Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta

    2011-01-01

    A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.

  5. Importance of d-wave contributions in the charge symmetry breaking reaction dd →4Heπ0

    Science.gov (United States)

    Adlarson, P.; Augustyniak, W.; Bardan, W.; Bashkanov, M.; Bergmann, F. S.; Berłowski, M.; Bondar, A.; Büscher, M.; Calén, H.; Ciepał, I.; Clement, H.; Czerwiński, E.; Demmich, K.; Engels, R.; Erven, A.; Erven, W.; Eyrich, W.; Fedorets, P.; Föhl, K.; Fransson, K.; Goldenbaum, F.; Goswami, A.; Grigoryev, K.; Gullström, C.-O.; Hanhart, C.; Heijkenskjöld, L.; Hejny, V.; Hüsken, N.; Jarczyk, L.; Johansson, T.; Kamys, B.; Kemmerling, G.; Khatri, G.; Khoukaz, A.; Khreptak, O.; Kirillov, D. A.; Kistryn, S.; Kleines, H.; Kłos, B.; Krzemień, W.; Kulessa, P.; Kupść, A.; Kuzmin, A.; Lalwani, K.; Lersch, D.; Lorentz, B.; Magiera, A.; Maier, R.; Marciniewski, P.; Mariański, B.; Morsch, H.-P.; Moskal, P.; Ohm, H.; Parol, W.; Perez del Rio, E.; Piskunov, N. M.; Prasuhn, D.; Pszczel, D.; Pysz, K.; Pyszniak, A.; Ritman, J.; Roy, A.; Rudy, Z.; Rundel, O.; Sawant, S.; Schadmand, S.; Schätti-Ozerianska, I.; Sefzick, T.; Serdyuk, V.; Shwartz, B.; Sitterberg, K.; Skorodko, T.; Skurzok, M.; Smyrski, J.; Sopov, V.; Stassen, R.; Stepaniak, J.; Stephan, E.; Sterzenbach, G.; Stockhorst, H.; Ströher, H.; Szczurek, A.; Trzciński, A.; Wolke, M.; Wrońska, A.; Wüstner, P.; Yamamoto, A.; Zabierowski, J.; Zieliński, M. J.; Złomańczuk, J.; Żuprański, P.; Żurek, M.; WASA-at-COSY Collaboration

    2018-06-01

    This letter reports a first quantitative analysis of the contribution of higher partial waves in the charge symmetry breaking reaction dd →4Heπ0 using the WASA-at-COSY detector setup at an excess energy of Q = 60MeV. The determined differential cross section can be parametrized as d σ /d Ω = a + bcos2 ⁡θ*, where θ* is the production angle of the pion in the center-of-mass coordinate system, and the results for the parameters are a = (1.55 ± 0.46(stat) + 0.32 - 0.8 (syst)) pb /sr and b = (13.1 ± 2.1 (stat)-2.7+1.0 (syst)) pb /sr. The data are compatible with vanishing p-waves and a sizable d-wave contribution. This finding should strongly constrain the contribution of the Δ isobar to the dd →4Heπ0 reaction and is, therefore, crucial for a quantitative understanding of quark mass effects in nuclear production reactions.

  6. Elastic properties, reaction kinetics, and structural relaxation of an epoxy resin polymer during cure

    Science.gov (United States)

    Heili, Manon; Bielawski, Andrew; Kieffer, John

    The cure kinetics of a DGEBA/DETA epoxy is investigated using concurrent Raman and Brillouin light scattering. Raman scattering allows us to monitor the in-situ reaction and quantitatively assess the degree of cure. Brillouin scattering yields the elastic properties of the system, providing a measure of network connectivity. We show that the adiabatic modulus evolves non-uniquely as a function of cure degree, depending on the cure temperature and the molar ratio of the epoxy. Two mechanisms contribute to the increase in the elastic modulus of the material during curing. First, there is the formation of covalent bonds in the network during the curing process. Second, following bond formation, the epoxy undergoes structural relaxation toward an optimally packed network configuration, enhancing non-bonded interactions. We investigate to what extent the non-bonded interaction contribution to structural rigidity in cross-linked polymers is reversible, and to what extent it corresponds to the difference between adiabatic and isothermal moduli obtained from static tensile, i.e. the so-called relaxational modulus. To this end, we simultaneously measure the adiabatic and isothermal elastic moduli as a function of applied strain and deformation rate.

  7. Microstructure, ferromagnetic and photoluminescence properties of ITO and Cr doped ITO nanoparticles using solid state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Babu, S. Harinath [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Kaleemulla, S., E-mail: skaleemulla@gmail.com [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Rao, N. Madhusudhana [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Rao, G. Venugopal [Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102, Tamilnadu (India); Krishnamoorthi, C. [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India)

    2016-11-01

    Indium-tin-oxide (ITO) (In{sub 0.95}Sn{sub 0.05}){sub 2}O{sub 3} and Cr doped indium-tin-oxide (In{sub 0.90}Sn{sub 0.05}Cr{sub 0.05}){sub 2}O{sub 3} nanoparticles were prepared using simple low cost solid state reaction method and characterized by different techniques to study their structural, optical and magnetic properties. Microstructures, surface morphology, crystallite size of the nanoparticles were studied using X-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM). From these methods it was found that the particles were about 45 nm. Chemical composition and valence states of the nanoparticles were studied using energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). From these techniques it was observed that the elements of indium, tin, chromium and oxygen were present in the system in appropriate ratios and they were in +3, +4, +3 and −2 oxidation states. Raman studies confirmed that the nanoparticle were free from unintentional impurities. Two broad emission peaks were observed at 330 nm and 460 nm when excited wavelength of 300 nm. Magnetic studies were carried out at 300 K and 100 K using vibrating sample magnetometer (VSM) and found that the ITO nanoparticles were ferromagnetic at 100 K and 300 K. Where-as the room temperature ferromagnetism completely disappeared in Cr doped ITO nanoparticles at 100 K and 300 K.

  8. Microstructure, ferromagnetic and photoluminescence properties of ITO and Cr doped ITO nanoparticles using solid state reaction

    Science.gov (United States)

    Babu, S. Harinath; Kaleemulla, S.; Rao, N. Madhusudhana; Rao, G. Venugopal; Krishnamoorthi, C.

    2016-11-01

    Indium-tin-oxide (ITO) (In0.95Sn0.05)2O3 and Cr doped indium-tin-oxide (In0.90Sn0.05Cr0.05)2O3 nanoparticles were prepared using simple low cost solid state reaction method and characterized by different techniques to study their structural, optical and magnetic properties. Microstructures, surface morphology, crystallite size of the nanoparticles were studied using X-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM). From these methods it was found that the particles were about 45 nm. Chemical composition and valence states of the nanoparticles were studied using energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). From these techniques it was observed that the elements of indium, tin, chromium and oxygen were present in the system in appropriate ratios and they were in +3, +4, +3 and -2 oxidation states. Raman studies confirmed that the nanoparticle were free from unintentional impurities. Two broad emission peaks were observed at 330 nm and 460 nm when excited wavelength of 300 nm. Magnetic studies were carried out at 300 K and 100 K using vibrating sample magnetometer (VSM) and found that the ITO nanoparticles were ferromagnetic at 100 K and 300 K. Where-as the room temperature ferromagnetism completely disappeared in Cr doped ITO nanoparticles at 100 K and 300 K.

  9. Coupled transport/reaction model of the properties of bentonite buffer in a repository

    International Nuclear Information System (INIS)

    Liu, Jinsong; Neretnieks, I.

    1996-11-01

    Two mechanisms that can affect the long-term properties of the bentonite buffer surrounding the canister in a final repository of spent nuclear fuel are studied. The two mechanisms are the oxidation of reducing minerals in the buffer by radiolytically generated oxidant, and the low-temperature alteration of Na-montmorillonite in the bentonite buffer to illite. A coupled mass transport with geochemical reaction model is used. Four cases have been considered, which differ in the assumptions of whether the radiolytically generated oxidant first oxidizes uraninite in the spent fuel, or it is directly transported to the bentonite to oxidize the pyrite. The cases also differ in the assumptions of varying initial concentrations of pyrite in the bentonite buffer. The modelling results show that, at low temperatures, the sodium montmorillonite in the bentonite buffer is chemically stable with respect to the chemical conditions of the near field. Alteration to illite and thus an increase in hydraulic conductivity and loss of swelling ability is not likely to occur. The radiolytically generated oxidant can possibly oxidize the reducing minerals in the bentonite buffer. A redox front can be generated. In all the cases considered in this study, the modelling results indicate that slightly less than 1% by weight of pyrite in the bentonite buffer will be able to ensure that the redox front does not penetrate through the bentonite buffer within 1 million years. 31 refs

  10. Importance of intellectual property generated by biomedical research at universities and academic hospitals.

    Science.gov (United States)

    Heus, Joris J; de Pauw, Elmar S; Leloux, Mirjam; Morpurgo, Margherita; Hamblin, Michael R; Heger, Michal

    2017-01-01

    Biomedical research has many different facets. Researchers and clinicians study disease biology and biochemistry to discover novel therapeutic targets, unravel biochemical pathways and identify biomarkers to improve diagnosis, or devise new approaches to clinically manage diseases more effectively. In all instances, the overall goal of biomedical research is to ensure that results thereof (such as a therapy, a device, or a method which may be broadly referred to as "inventions") are clinically implemented. Most of the researchers' efforts are centered on the advance of technical and scientific aspects of an invention. The development and implementation of an invention can be arduous and very costly. Historically, it has proven to be crucial to protect intellectual property rights (IPR) to an invention (i.e., a patent) to ensure that companies can obtain a fair return on their investment that is needed to develop an academic invention into a product for the benefit of patients. However, the importance of IPR is not generally acknowledged among researchers at academic institutions active in biomedical research. Therefore this paper aims to (1) raise IP awareness amongst clinical and translational researchers; (2) provide a concise overview of what the patenting trajectory entails; and (3) highlight the importance of patenting for research and the researcher. Adequate patent protection of inventions generated through biomedical research at academic institutions increases the probability that patients will benefit from these inventions, and indirectly enables the financing of clinical studies, mainly by opening up funding opportunities (e.g. specific grants aimed at start-ups, pre-seed and seed capital) that otherwise would not be accessible. As a consequence, patented inventions are more likely to become clinically tested and reach the market, providing patients with more treatment options.

  11. Comprehensive coordination chemistry. The synthesis, reactions, properties and applications of coordination compounds. V.3. Main group and early transition elements

    International Nuclear Information System (INIS)

    Wilkinson, Geoffrey; Gillard, R.D.; McCleverty, J.A.

    1987-01-01

    Comprehensive coordination chemistry reviews the synthesis reactions and properties of coordination compounds. Their uses in such diverse fields as nuclear fuels, toxicology, medicine and biology are discussed. Volume three concentrates on the main group and early transition element coordination compounds. (UK)

  12. Physicochemical properties of soy protein isolate/carboxymethyl cellulose blend films crosslinked by Maillard reactions: Color, transparency and heat-sealing ability

    International Nuclear Information System (INIS)

    Su Junfeng; Yuan Xiaoyan; Huang Zhen; Wang Xinyu; Lu Xuzhen; Zhang Lidan; Wang Shengbao

    2012-01-01

    Soy protein isolate (SPI) films have many potential applications in the biomaterial field as surgical dressings for burns, films for reduction of wound inflammation, and facial masks. The appearance and the sealing ability are important physicochemical properties that greatly influence consumer acceptance of such protein-based films. The aim of the present work was to investigate the chemical structure and the physical properties associated with color, transparency and heat-sealing ability for SPI/carboxymethyl cellulose (CMC) blend films prepared by solution casting, with weight proportions 90/10, 80/20, 70/30 and 60/40. Fourier transform infra-red (FTIR) and solid-state 13 C nuclear magnetic resonance (NMR) spectra confirmed that Maillard reactions occurred between SPI and CMC. The Hunter color value (L, a, b) and transparency of films were affected by varying the proportions of SPI and CMC. With increasing degree of crosslinking of SPI and CMC, the yellow color of the films was diluted and transparency was improved. Peel strength and tensile strength measurements showed that the Maillard reactions had the main effect of enhancing the heat-sealing ability above the melting temperature. These results indicated that the structure and properties of SPI-based films could be modified and improved by blending with CMC. - Highlights: ► Maillard reactions occurred in SPI/CMC films. ► The color and transparency of SPI/CMC films were affected by Maillard reactions. ► Maillard reactions enhanced the heat-sealing ability of SPI/CMC films.

  13. Theoretical and experimental methods to determine the properties of molten core components and reaction products. Pt. 2

    International Nuclear Information System (INIS)

    Nazare, S.; Ondracek, G.; Schulz, B.

    1975-10-01

    In the course of a loss of coolant accident, a sequence of events would be initiated that ultimately could lead to core melting. The course of these events and the consequences of core meltdown would in part be determined by the properties of the core materials and the products of their interaction. On the basis of available theoretical and experimental results, the report attempts an estimation of properties such as: 1) work of adhesion between UO 2 - and (U,Zr) liquid phase, 2) heat of fusion of some melts, 3) heat capacity of liquid reaction products, 4) viscosity of liquid reaction products, 5) thermal conductivity of liquid reaction products. Experimental work is suggested for those cases, where the estimates need to be improved or verified. (orig.) [de

  14. Modifying surface resistivity and liquid moisture management property of keratin fibers through thiol-ene click reactions.

    Science.gov (United States)

    Yu, Dan; Cai, Jackie Y; Church, Jeffrey S; Wang, Lijing

    2014-01-22

    This paper reports on a new method for improving the antistatic and liquid moisture management properties of keratinous materials. The method involves the generation of thiols by controlled reduction of cystine disulfide bonds in keratin with tris(2-carboxyethyl) phosphine hydrochloride and subsequent grafting of hydrophilic groups onto the reduced keratin by reaction with an acrylate sulfonate or acrylamide sulfonate through thiol-ene click chemistry. The modified substrates were characterized with Raman spectroscopy and scanning electron microscopy and evaluated for their performance changes in liquid moisture management, surface resistivity, and wet burst strength. The results have revealed that the thiol-acrylate reaction is more efficient than the thiol-acrylamide reaction, and the keratinous substrate modified with an acrylate sulfonate salt exhibits significantly improved antistatic and liquid moisture management properties.

  15. Inulin and Oligofructosis: a review about functional properties, prebiotic effects and importance for food industry

    Directory of Open Access Journals (Sweden)

    Maria Celia de Oliveira Hauly

    2002-01-01

    Full Text Available Nowadays consumers are more conscious about the relation between food and health. Therefore food industry has been looking for food that has a lot of benefits besides good flavor and appearance. Inulin and oligofructose are fructose polimers, vastly found in plants as storage carbohydrates. They present important functional for the food industry. Both inulin and oligofructose have been used as fiber bulk in food products. Differently from other fibers, they do not add flavor, allowing the food to be improved without changing its viscosity. Inulin and oligofructose have similar nutritional properties. Inulin is more indicated for obtaining products with a low fat content such as ice cream, cake and soup, while oligofructose is indicated for yogurt with a low caloric value and in order to mask the residual flavor from high intensity sweeteners used in food preparation. Research has shown that inulin and oligofructose have prebiotic effects because they are not digestible and they can develop bifidogenic effects, improving the intestinal microflora. The simultaneous use of inulin and oligofructose with probiotic agents in food is recommended for symbiotic effects.

  16. Sea Cucumber Glycosides: Chemical Structures, Producing Species and Important Biological Properties.

    Science.gov (United States)

    Mondol, Muhammad Abdul Mojid; Shin, Hee Jae; Rahman, M Aminur; Islam, Mohamad Tofazzal

    2017-10-17

    Sea cucumbers belonging to echinoderm are traditionally used as tonic food in China and other Asian countries. They produce abundant biologically active triterpene glycosides. More than 300 triterpene glycosides have been isolated and characterized from various species of sea cucumbers, which are classified as holostane and nonholostane depending on the presence or absence of a specific structural unit γ(18,20)-lactone in the aglycone. Triterpene glycosides contain a carbohydrate chain up to six monosaccharide units mainly consisting of d-xylose, 3-O-methy-d-xylose, d-glucose, 3-O-methyl-d-glucose, and d-quinovose. Cytotoxicity is the common biological property of triterpene glycosides isolated from sea cucumbers. Besides cytotoxicity, triterpene glycosides also exhibit antifungal, antiviral and hemolytic activities. This review updates and summarizes our understanding on diverse chemical structures of triterpene glycosides from various species of sea cucumbers and their important biological activities. Mechanisms of action and structural-activity relationships (SARs) of sea cucumber glycosides are also discussed briefly.

  17. Spectral properties of chlorines and electron transfer with their participation in the photosynthetic reaction center of photosystem II

    Science.gov (United States)

    Shchupak, E. E.; Ivashin, N. V.

    2014-02-01

    Structural factors that provide localization of excited states and determine the properties of primary donor and acceptor of electron in the reaction center of photosystem II (PSII RC) are studied. The results of calculations using stationary and time-dependent density functional theory indicate an important role of protein environments of chlorophylls PA, PB, BA, and BB and pheophytins HA and HB in the area with a radius of no greater than ≤10 Å in the formation of excitonic states of PSII RC. When the neighboring elements are taken into account, the wavelength of long-wavelength Q y transition of chlorophyll molecules is varied by about 10 nm. The effect is less developed for pheophytin molecules (Δλ ≅ 2 nm). The following elements strongly affect energy of the transition: HisA198 and HisD197 amino-acid residues that serve as ligands of magnesium atoms affect PA and PB, respectively; MetA183 affects PA; MetA172 and MetD198 affect BA; water molecules that are located above the planes of the BA and BB macrocycles form H bonds with carbonyl groups; and phytol chains of PA and PB affect BA, BB, HA, and HB. The analysis of excitonic states, mutual positions of molecular orbitals of electron donors and acceptors, and matrix elements of electron transfer reaction shows that (i) charge separation between BA and HA and PB and BA is possible in the active A branch of cofactors of PSII RC and (ii) electron transfer is blocked at the BB - HB fragment in inactive B branch of PSII RC.

  18. The importance of monitoring adverse drug reactions in pediatric patients: the results of a national surveillance program in Italy.

    Science.gov (United States)

    Carnovale, Carla; Brusadelli, Tatiana; Zuccotti, GianVincenzo; Beretta, Silvia; Sullo, Maria Giuseppa; Capuano, Annalisa; Rossi, Francesco; Moschini, Martina; Mugelli, Alessandro; Vannacci, Alfredo; Laterza, Marcella; Clementi, Emilio; Radice, Sonia

    2014-09-01

    To gain information on safety of drugs used in pediatrics through a 4-year post-marketing active pharmacovigilance program. The program sampled the Italian population and was termed 'Monitoring of the Adverse Effects in Pediatric population' (MEAP). Adverse drug reactions (ADRs) were collected for individuals aged 0 - 17 years treated in hospitals and territorial health services in Lombardy, Tuscany, Apulia and Campania; located to gain an appropriate sampling of the population. ADRs were evaluated using the Adverse Drug Reaction Probability Scale (Naranjo) and analyzed with respect to time, age, sex, category of ADR, seriousness, suspected medicines, type of reporter and off-label use. We collected and analyzed reports from 3539 ADRs. Vaccines, antineoplastic and psychotropic drugs were the most frequently pharmacotherapeutic subgroups involved. Seventeen percent of reported ADRs were serious; of them fever, vomiting and angioedema were the most frequently reported. Eight percent of ADRs were associated with off-label use, and 10% were unknown ADRs. Analysis of these revealed possible strategies of therapy optimization. The MEAP project demonstrated that active post-marketing pharmacovigilance programs are a valid strategy to increase awareness on pediatric pharmacology, reduce underreporting and provide information on drug actions in pediatrics. This information enhances drug therapy optimization in the pediatric patients.

  19. The influence of processing conditions on the microstructure and the mechanical properties of reaction sintered silicon nitride

    International Nuclear Information System (INIS)

    Heinrich, J.

    1979-09-01

    The microstructure of reaction sintered silicon nitride (RBSN) was changed in a wide range of varying green density, grain size of the silicon starting powder, nitriding conditions, and by introducing artificial pores. The influence of single microstructural parameters on mechanical properties like room temperature strength, creep behaviour, and resistance to thermal shock has been investigated. The essential factors influencing these properties were found to be total porosity, pore size distribution, and the fractions of α- and β-Si 3 N 4 . In view of high temperature engineering applications of RBSN possibilities to optimize the material's properties by controlled processing are discussed. (orig.) [de

  20. Importance of the Recurrent Tax on Immovable Property in the Tax Systems of EU Countries

    OpenAIRE

    Břetislav Andrlík; Lucie Formanová

    2014-01-01

    This paper deals with the issue of the recurrent tax on immovable property and its significance in the tax systems of the EU Member States. The recurrent tax on immovable property is classified as property taxes, also according to the international methodology of the classification of taxes. This tax is imposed on the owners (in some cases on the lessee or user) of the immovable property in the various tax jurisdictions and belong to the taxes that the taxpayer cannot avoid and from this pers...

  1. Coprecipitation of {sup 14}C and Sr with carbonate precipitates: The importance of reaction kinetics and recrystallization pathways

    Energy Technology Data Exchange (ETDEWEB)

    Hodkin, David J. [School of Earth and Environment, University of Leeds, Leeds LS2 9JT (United Kingdom); Stewart, Douglas I. [School of Civil Engineering, University of Leeds (United Kingdom); Graham, James T. [National Nuclear Laboratory, Sellafield, Cumbria (United Kingdom); Burke, Ian T., E-mail: I.T.Burke@leeds.ac.uk [School of Earth and Environment, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2016-08-15

    This study investigated the simultaneous removal of Sr{sup 2+} and {sup 14}CO{sub 3}{sup 2−} from pH > 12 Ca(OH){sub 2} solution by the precipitation of calcium carbonate. Initial Ca{sup 2+}:CO{sub 3}{sup 2−} ratios ranged from 10:1 to 10:100 (mM:mM). Maximum removal of {sup 14}C and Sr{sup 2+} both occurred in the system containing 10 mM Ca{sup 2+} and 1 mM CO{sub 3}{sup 2−} (99.7% and 98.6% removal respectively). A kinetic model is provided that describes {sup 14}C and Sr removal in terms of mineral dissolution and precipitation reactions. The removal of {sup 14}C was achieved during the depletion of the initial TIC in solution, and was subsequently significantly affected by recrystallization of the calcite precipitate from an elongate to isotropic morphology. This liberated > 46% of the {sup 14}C back to solution. Sr{sup 2+} removal occurred as Ca{sup 2+} became depleted in solution and was not significantly affected by the recrystallization process. The proposed reaction could form the basis for low cost remediation scheme for {sup 90}Sr and {sup 14}C in radioactively contaminated waters (<$0.25 reagent cost per m{sup 3} treated). - Highlights: • 99.7% of {sup 14}C and 98.6% of Sr removed from aqueous solution by CaCO{sub 3} precipitation. • Remobilization of {sup 14}C observed during calcium carbonate recrystallization. • Sr displayed variable distribution coefficient (possibly affected by Ca:Sr ratio). • Reagent cost of $0.22/m{sup 3} of treated groundwater.

  2. The importance of fuel properties in the formation of nitrogen oxides and in combustion

    International Nuclear Information System (INIS)

    Huotari, J.; Aho, M.; Haemaelaeinen, J.; Huotari, J.; Saastamoinen, J.; Rantanen, J.

    1995-01-01

    The goal of this work is to find new information about the effects of pressure, temperature and fuel properties (Fuel-O/Fuel-N) on the formation of nitrogen oxides through the most important intermediates (NH 3 and HCN). In addition, a single particle model for the simultaneous pyrolysis and char combustion will be improved to be used for calculating combustion under pressure. Experimental work is done with an electrically heated pressurized entrained flow reactor (PEFR) which is equipped with modern analytics (as FT-IR for the analysis of N 2 O, NO and NO 2 and FT-IR pyrometry for the measurement of particle temperatures). The experimental work is carried out in several stages: (a) Study of the formation of HCN and NH 3 during pressurized pyrolysis (b) Oxidation of HCN and NH 3 to nitrogen oxides in pressurized combustion (c) Reduction of NO by NH 3 under pressure (thermax denox) Task a is performed with fuels of various O/N ratio. Task b is performed with pure HCN and NH 3 and with more complicated gas mixtures including HCN and NH 3 . A large part of these results are utilized in kinetic modelling in Aabo Akademi University, Finland in project LIEKKI 2-201. Two kinds of modelling work is performed in VTT in this project (a) Simultaneous modelling of the composition of solid and gaseous phases in the pyrolysis and combustion of a small fuel particle (multiphase modelling) (b) Modelling of pyrolysis and combustion of a single fuel particle under pressurized conditions (single particle modelling). The results can be used in planning of pressurized combustors and in minimizing the emissions of nitrogen oxides. (author)

  3. The effect of reaction temperature on the room temperature ferromagnetic property of sol-gel derived tin oxide nanocrystal

    Science.gov (United States)

    Sakthiraj, K.; Hema, M.; Balachandra Kumar, K.

    2018-06-01

    In the present study, nanocrystalline tin oxide materials were prepared using sol-gel method with different reaction temperatures (25 °C, 50 °C, 75 °C & 90 °C) and the relation between the room temperature ferromagnetic property of the sample with processing temperature has been analysed. The X-ray diffraction pattern and infrared absorption spectra of the as-prepared samples confirm the purity of the samples. Transmission electron microscopy images visualize the particle size variation with respect to reaction temperature. The photoluminescence spectra of the samples demonstrate that luminescence process in materials is originated due to the electron transition mediated by defect centres. The room temperature ferromagnetic property is observed in all the samples with different amount, which was confirmed using vibrating sample magnetometer measurements. The saturation magnetization value of the as-prepared samples is increased with increasing the reaction temperature. From the photoluminescence & magnetic measurements we accomplished that, more amount of surface defects like oxygen vacancy and tin interstitial are created due to the increase in reaction temperature and it controls the ferromagnetic property of the samples.

  4. Calculation of total free energy yield as an alternative approach for predicting the importance of potential chemolithotrophic reactions in geothermal springs.

    Science.gov (United States)

    Dodsworth, Jeremy A; McDonald, Austin I; Hedlund, Brian P

    2012-08-01

    To inform hypotheses regarding the relative importance of chemolithotrophic metabolisms in geothermal environments, we calculated free energy yields of 26 chemical reactions potentially supporting chemolithotrophy in two US Great Basin hot springs, taking into account the effects of changing reactant and product activities on the Gibbs free energy as each reaction progressed. Results ranged from 1.2 × 10(-5) to 3.6 J kg(-1) spring water, or 3.7 × 10(-5) to 11.5 J s(-1) based on measured flow rates, with aerobic oxidation of CH(4) or NH4 + giving the highest average yields. Energy yields calculated without constraining pH were similar to those at constant pH except for reactions where H(+) was consumed, which often had significantly lower yields when pH was unconstrained. In contrast to the commonly used normalization of reaction chemical affinities per mole of electrons transferred, reaction energy yields for a given oxidant varied by several orders of magnitude and were more sensitive to differences in the activities of products and reactants. The high energy yield of aerobic ammonia oxidation is consistent with previous observations of significant ammonia oxidation rates and abundant ammonia-oxidizing archaea in sediments of these springs. This approach offers an additional lens through which to view the thermodynamic landscape of geothermal springs. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

  5. Investigation of structural properties associated with alkali-silica reaction by means of macro- and micro-structural analysis

    International Nuclear Information System (INIS)

    Mo Xiangyin; Fournier, Benoit

    2007-01-01

    Structural properties associated with alkali-silica reaction were systematically investigated by means of macro-structural accelerated mortar prism expansion levels testing, combined with micro-structural analysis. One part of this study is to determine the reactivity of the aggregate by means of accelerated mortar bar tests, and also to evaluate perlite aggregate constituents, especially the presence of deleterious components and find main causes of the alkali-silica reaction, which was based on the petrographic studies by optical microscope and the implication of X-ray diffraction on the aggregate. Results implied that the aggregate was highly alkali-silica reactive and the main micro-crystalline quartz-intermediate character and matrix that is mainly composed of chalcedony are potentially suitable for alkali-silica reaction. The other part is to study the long-term effect of lithium salts against alkali-silica reaction by testing accelerated mortar prism expansion levels. The macro-structural results were also consistent with the micro-structural mechanisms of alkali-silica reaction of mortar prisms containing this aggregate and the effect of chemical admixtures by means of the methods of scanning electron microscope-X-ray energy-dispersive spectroscopy and X-ray diffraction. It was indicated by these techniques that lithium salts, which were introduced into concrete containing reactive aggregate at the mixing stage, suppressed the alkali-silica reaction by producing non-expansive crystalline materials

  6. Perceived effectiveness of cessation advertisements: the importance of audience reactions and practical implications for media campaign planning.

    Science.gov (United States)

    Davis, Kevin C; Nonnemaker, James; Duke, Jennifer; Farrelly, Matthew C

    2013-01-01

    Cessation television ads are often evaluated with measures of perceived effectiveness (PE) that gauge smokers' reactions to the ads. Although measures of PE have been validated for other genres of public service announcements, no studies to our knowledge have demonstrated the predictive validity of PE for cessation TV ads specifically. We analyzed data from a longitudinal Web survey of smokers in the United States to assess whether measures of PE for cessation TV ads are causally antecedent to cessation-related outcomes. These data consisted of baseline and 2-week follow-up surveys of 3,411 smokers who were shown a number of cessation TV ads and were asked to provide their appraisals of PE for those messages. We found that baseline PE for the ads was associated with increased negative feelings about smoking, increased outcome expectations about the benefits of quitting, increased consideration of the benefits of quitting, increased desire to quit, and increased intentions to quit smoking at follow-up. Results suggest that measures of PE for cessation TV ads can be powerful predictors of likely ad success. Hence, our findings support the use of PE in quantitative ad pretesting as part of a standard regimen of formative research for cessation television campaigns.

  7. Study of material properties important for an optical property modulation-based radiation detection method for positron emission tomography

    OpenAIRE

    Tao, Li; Daghighian, Henry M.; Levin, Craig S.

    2017-01-01

    We compare the performance of two detector materials, cadmium telluride (CdTe) and bismuth silicon oxide (BSO), for optical property modulation-based radiation detection method for positron emission tomography (PET), which is a potential new direction to dramatically improve the annihilation photon pair coincidence time resolution. We have shown that the induced current flow in the detector crystal resulting from ionizing radiation determines the strength of optical modulation signal. A large...

  8. The importance of a single methyl group in determining the reaction chemistry of pentamethylcyclopentadienyl cyclooctatetraenyl uranium metallocenes

    Energy Technology Data Exchange (ETDEWEB)

    Takase, Michael K.; Ziller, Joseph W.; Evans, William J. [Department of Chemistry, University of California, Irvine, CA (United States)

    2011-04-18

    The steric factors that allow trivalent [(C{sub 5}Me{sub 5}){sub 3}U] (1) to function as a three-electron reductant with C{sub 8}H{sub 8} to form tetravalent [{(C_5Me_5)(C_8H_8)U}{sub 2}(μ-C{sub 8}H{sub 8})] (2) have been explored by examining the synthesis and reactivity of the intermediate, ''[(C{sub 5}Me{sub 5}){sub 2}(C{sub 8}H{sub 8})U]'' (3), and the slightly less crowded analogues, [(C{sub 5}Me{sub 5})(C{sub 5}Me{sub 4}H)(C{sub 8}H{sub 8})U] and [(C{sub 5}Me{sub 4}H){sub 2}(C{sub 8}H{sub 8})U], that have, successively one less methyl group. The reaction of [{(C_5Me_5)(C_8H_8)U(μ-OTf)}{sub 2}] (4; OTf=OSO{sub 2}CF{sub 3}) with two equivalents of KC{sub 5}Me{sub 5} in THF gave ring-opening to ''[(C{sub 5}Me{sub 5})(C{sub 8}H{sub 8})U{O(CH_2)_4(C_5Me_5)}]'' consistent with in situ formation of 3. Reaction of 4 with two and four equivalents of KC{sub 5}Me{sub 4}H generates two equivalents of [(C{sub 5}Me{sub 5})(C{sub 5}Me{sub 4}H)(C{sub 8}H{sub 8})U] (5) and [(C{sub 5}Me{sub 4}H){sub 2}(C{sub 8}H{sub 8})U] (6), respectively, which in contrast to 3 were isolable. Tetravalent 5 reduces phenazine and PhEEPh (E=S, Se, and Te) to form the tetravalent uranium reduction products, [{(C_5Me_5)(C_8H_8)U}{sub 2}(μ-C{sub 12}H{sub 8}N{sub 2})] (7), [{(C_5Me_5)(C_8H_8)U}{sub 2}(μ-SPh){sub 2}] (8), [{(C_5Me_5)(C_8H_8)U}{sub 2}(μ-SePh){sub 2}] (9), and [{(C_5Me_5)(C_8H_8)U}{sub 2}(μ-TePh){sub 2}] (10), consistent with sterically induced reduction. In contrast, the less sterically crowded 6 does not react with these substrates. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Luminescence properties of dysprosium doped calcium magnesium silicate phosphor by solid state reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Ishwar Prasad, E-mail: ishwarprasad1986@gmail.com [School of Studies in Physics & Astrophysics, Pt. Ravishankar Shukla University, Raipur, C.G. 492010 (India); Chandrakar, Priya; Baghel, R.N.; Bisen, D.P.; Brahme, Nameeta [School of Studies in Physics & Astrophysics, Pt. Ravishankar Shukla University, Raipur, C.G. 492010 (India); Tamrakar, Raunak Kumar [Department of Applied Physics, Bhilai Institute of Technology, Durg, C.G. 491001 (India)

    2015-11-15

    Dysprosium doped calcium magnesium silicate (CaMgSi{sub 2}O{sub 6}:Dy{sup 3+}) white light emitting phosphor was synthesized by solid state reaction process. The crystal structure of sintered phosphor was monoclinic structure with space group C2/c. Chemical composition of the sintered CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was confirmed by EDX. The prepared CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was excited from 352 nm and their corresponding emission spectra were recorded at blue (470 nm), yellow (570 nm) and red (675 nm) line due to the {sup 4}F{sub 9/2} → {sup 6}H{sub 15/2}, {sup 4}F{sub 9/2} → {sup 6}H{sub 13/2}, {sup 4}F{sub 9/2} → {sup 6}H{sub 11/2} transitions of Dy{sup 3+} ions. The combination of these three emissions constituted as white light confirmed by the Commission Internationale de L'Eclairage (CIE) chromatic coordinate diagram. The possible mechanism of the white light emitting long lasting CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was also investigated. Investigation on afterglow property show that phosphor held fast and slow decay process. The peak of mechanoluminescence (ML) intensity increases linearly with increasing impact velocity of the moving piston. Thus the present investigation indicates that the local piezoelectricity-induced electron bombardment model is responsible to produce ML in prepared CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor. - Highlights: • The crystal structure of CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor is consistent with standard monoclinic structure. • CIE coordinates of CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor is suitable as white light emitting phosphor. • The local piezoelectricity-induced electron bombardment model is responsible to produce ML in CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor.

  10. Effect of thermal treatment conditions on properties of vanadium molybdenum oxide catalyst in acrolein oxidation reaction to acrylic acid

    International Nuclear Information System (INIS)

    Gorshkova, T.P.; Tarasova, D.V.; Olen'kova, I.P.; Andrushkevich, T.V.; Nikoro, T.A.

    1984-01-01

    The effect of thermal treatment conditions (temperature and gas medium) on properties of vanadium molybdenum oxide catalyst in acrolein oxidation reaction to acrylic acid is investigated. It is shown that active and selective catalysts are formed in the course of thermal decomposition of the drying product of ammonium metavanadate and paramolybdate under the conditions ensuring the vanadium ion reduction up to tetravalent state with conservation of molybdenum oxidation degree equal to 6. It is possible to realize it either by treatment of the catalyst calcinated in the air flow at 300 deg by the reaction mixture at the activation stage or by gas-reducer flow treatment at 280 deg. Thermal treatment in the reducing medium of the oxidized catalyst does not lead to complete regeneration of its properties

  11. Study of the properties of the superheavy nuclei Z=117 produced in the 249Bk + 48Ca reaction

    International Nuclear Information System (INIS)

    Oganessian, Y.T.; Abdullin, F.S.; Dmitriev, S.N.; Itkis, M.G.; Polyakov, A.N.; Sagaidak, R.N.; Shirokovsky, I.V.; Shumeiko, M.V.; Subbotin, V.G.; Sukhov, A.M.; Tsyganov, Y.S.; Utyonkov, V.K.; Voinov, A.A.; Vostokin, G.K.; Alexander, C.; Binder, J.; Boll, R.A.; Ezold, J.; Felker, K.; Miernik, K.; Roberto, J.B.; Rykaczewski, K.P.; Gostic, J.M.; Henderson, R.A.; Moody, K.J.; Shaughnessy, D.H.; Stoyer, M.A.; Stoyer, N.J.; Grzywacz, R.K.; Miller, D.; Hamilton, J.H.; Ramayya, A.V.; Ryabinin, M.A.

    2014-01-01

    The reaction of 249 Bk with 48 Ca have been reinvestigated to provide new evidence for the discovery of element 117 on a larger number of events. The experiments were performed at five projectile energies and with a total beam dose of 48 Ca of about 4.6*10 19 . Two isotopes 293,294 117 were synthesized in the 249 Bk+ 48 Ca reaction, providing excitation functions and α-decay spectra of the produced isotopes that establishes these nuclei to be the products of the 4n- and 3n-evaporation channels, respectively. Decay properties of 293,294 117 and of all the daughter products agree with the data of the experiment in which these nuclei were synthesized for the first time in 2010. The new 289 115 events, populated by a decay of 293 117, demonstrate the same decay properties as those observed for 289 115 produced in the 243 Am( 48 Ca,2n) reaction thus providing cross-bombardment evidence. In addition, a single decay of 294 118 was observed from the reaction with 249 Cf - a result of the in-growth of 249 Cf in the 249 Bk target. (authors)

  12. Complexing properties of the main organic acids used in decontamination solutions and reactions involved in their degradation or elimination

    International Nuclear Information System (INIS)

    Noel, D.; Kerrec, O.; Lantes, B.; Rosset, R.; Bayri, B.; Desbarres, J.; Jardy, A.

    1994-09-01

    This paper presents a study that, parallel with the industrial development of the decontamination chemical process, has been performed more fundamentally on the chemical properties of used products: degradation reaction during process or after decontamination and during wastes treatment. In particular, results show that the organic compounds used have no interaction with resins during radioactive wastes storage and therefore they do not present leaching risk. (authors). 8 refs., 3 figs., 4 tabs

  13. Properties of PTFE tape as a semipermeable membrane in fluorous reactions

    OpenAIRE

    Brendon A. Parsons; Olivia Lin Smith; Myeong Chae; Veljko Dragojlovic

    2015-01-01

    Summary In a PTFE tape phase-vanishing reaction (PV-PTFE), a delivery tube sealed with PTFE tape is inserted into a vessel which contains the substrate. The reagent diffuses across the PTFE tape barrier into the reaction vessel. PTFE co-polymer films have been found to exhibit selective permeability towards organic compounds, which was affected by the presence of solvents. In this study, we attempted to establish general trends of permeability of PTFE tape to different compounds and to better...

  14. Importance of the Recurrent Tax on Immovable Property in the Tax Systems of EU Countries

    Directory of Open Access Journals (Sweden)

    Břetislav Andrlík

    2014-01-01

    Full Text Available This paper deals with the issue of the recurrent tax on immovable property and its significance in the tax systems of the EU Member States. The recurrent tax on immovable property is classified as property taxes, also according to the international methodology of the classification of taxes. This tax is imposed on the owners (in some cases on the lessee or user of the immovable property in the various tax jurisdictions and belong to the taxes that the taxpayer cannot avoid and from this perspective it represents a stable source of income for the public budgets of the modern market economies. This paper discusses the current state of the application of this tax in the tax systems of the Member States with an emphasis on numerical characteristics on the defined timeline. In frame of the analysis of the numerical characteristics there are use the primary sources, which are followed by the interpretation of the calculated results. The theoretical introduction is defining the theoretical basis for the application of this tax in modern tax systems and its conflict with the issue of double taxation.

  15. Crossover properties of a one-dimensional reaction-diffusion process with a transport current

    International Nuclear Information System (INIS)

    Fortin, Jean-Yves

    2014-01-01

    1D non-equilibrium models of particles subjected to a coagulation-diffusion process are important in understanding non-equilibrium dynamics, and fluctuation-dissipation relations. We consider in this paper transport properties in finite and semi-infinite one-dimensional chains. A set of particles freely hop between nearest-neighbor sites, with the additional condition that, when two particles meet, they merge instantaneously into one particle. A localized source of particle-current is imposed at the origin as well as a non-symmetric hopping rate between the left and right directions (particle drift). This model was previously studied with exact results for the particle density by Hinrichsen et al [1] in the long-time limit. We are interested here in the crossover process between a scaling regime and long-time behavior, starting with a chain filled with particles. As in the previous reference [1], we employ the empty-interval-particle method, where the probability of finding an empty interval between two given sites is considered. However a different method is developed here to treat the boundary conditions by imposing the continuity and differentiability of the interval probability, which allows for a closed and unique solution, especially for any given initial particle configuration. In the finite size case, we find a crossover between the scaling regime and two different exponential decays for the particle density as a function of the input current. Precise asymptotic expressions for the particle density and coagulation rate are given. (paper)

  16. Kinetics and mechanism of superoxide radical reactions with some biologically important compounds in aqueous solutions. Pulse radiolysis

    Science.gov (United States)

    Revina, A. A.; Amiragova, M. I.; Volod'ko, V. V.; Vannikov, A. V.

    Microsecond pulse radiolysis of oxygenated aqueous solutions containing 0.02 mol dm -3 sodium formate and 2 mmol dm -3 phosphate buffer at pH 7 was used to generate superoxide anion radicals. The influence of some biologically important compounds upon the rate of O ⨪2 decay was monitored spectrophotometrically in the range of 245-300 nm. Hematoporphyrin (HP), hemin C (HC), catalase (Cat), cobalt sulfophthalocyanine (CoTSPc) were studied. Among the investigated compounds only Cat was found to show a high catalytic efficiency towards the self-decay of O ⨪2. A red shift of O ⨪2 absorption band and slowing down of its decay were observed to take place by adding HP or CoTSPc to the solutions containing formate ions in excess. This effect is associated with the formation of a transient superoxo-complex. An appearance of an intermediate species with absorption maxima at 350 nm and half-life of about 2s was observed to accompany the superoxo-complex of CoTSPc decay. In the aerated solution of HP the intensity of absorbance at 260 nm was found to be independent of the presence of formate ions.

  17. Kinetics and mechanism of superoxide radical reactions with some biologically important compounds in aqueous solutions. Pulse radiolysis

    International Nuclear Information System (INIS)

    Revina, A.A.; Volod'ko, V.V.; Vannikov, A.V.

    1989-01-01

    Microsecond pulse radiolysis of oxygenated aqueous solutions containing 0.02 mol dm -3 sodium formate and 2 mmol dm -3 phosphate buffer at pH 7 was used to generate superoxide anion radicals. The influence of some biologically important compounds upon the rate of O 2 .-bar decay as monitored spectrophotometrically in the range of 245-300 nm. Hematoporphyrin (HP), hemin C (HC), catalase (Cat), cobalt sulfophthalocyanine (CoTSPc) were studied. Among the investigated compounds only Cat was found to show a high catalytic efficiency towards the self-decay of O 2 .-bar . A red shift of 0 2 .-bar absorption band and slowing down of its decay were observed to take place by adding HP or CoTSPc to the solutions containing formate ions in excess. This effect is associated with the formation of a transient superoxo-complex. An appearance of an intermediate species with absorption maxima at 350 nm and half-life of about 2 s was observed to accompany the superoxo-complex of CoTSPc decay. In the aerated solution of HP the intensity of absorbance at 260 nm was found to be independent of the presence of formate ions. (author)

  18. Flow network QSAR for the prediction of physicochemical properties by mapping an electrical resistance network onto a chemical reaction poset.

    Science.gov (United States)

    Ivanciuc, Ovidiu; Ivanciuc, Teodora; Klein, Douglas J

    2013-06-01

    Usual quantitative structure-activity relationship (QSAR) models are computed from unstructured input data, by using a vector of molecular descriptors for each chemical in the dataset. Another alternative is to consider the structural relationships between the chemical structures, such as molecular similarity, presence of certain substructures, or chemical transformations between compounds. We defined a class of network-QSAR models based on molecular networks induced by a sequence of substitution reactions on a chemical structure that generates a partially ordered set (or poset) oriented graph that may be used to predict various molecular properties with quantitative superstructure-activity relationships (QSSAR). The network-QSAR interpolation models defined on poset graphs, namely average poset, cluster expansion, and spline poset, were tested with success for the prediction of several physicochemical properties for diverse chemicals. We introduce the flow network QSAR, a new poset regression model in which the dataset of chemicals, represented as a reaction poset, is transformed into an oriented network of electrical resistances in which the current flow results in a potential at each node. The molecular property considered in the QSSAR model is represented as the electrical potential, and the value of this potential at a particular node is determined by the electrical resistances assigned to each edge and by a system of batteries. Each node with a known value for the molecular property is attached to a battery that sets the potential on that node to the value of the respective molecular property, and no external battery is attached to nodes from the prediction set, representing chemicals for which the values of the molecular property are not known or are intended to be predicted. The flow network QSAR algorithm determines the values of the molecular property for the prediction set of molecules by applying Ohm's law and Kirchhoff's current law to the poset

  19. Sensitive and specific identification by polymerase chain reaction of Eimeria tenella and Eimeria maxima, important protozoan pathogens in laboratory avian facilities.

    Science.gov (United States)

    Lee, Hyun-A; Hong, Sunhwa; Chung, Yungho; Kim, Okjin

    2011-09-01

    Eimeria tenella and Eimeria maxima are important pathogens causing intracellular protozoa infections in laboratory avian animals and are known to affect experimental results obtained from contaminated animals. This study aimed to find a fast, sensitive, and efficient protocol for the molecular identification of E. tenella and E. maxima in experimental samples using chickens as laboratory avian animals. DNA was extracted from fecal samples collected from chickens and polymerase chain reaction (PCR) analysis was employed to detect E. tenella and E. maxima from the extracted DNA. The target nucleic acid fragments were specifically amplified by PCR. Feces secreting E. tenella and E. maxima were detected by a positive PCR reaction. In this study, we were able to successfully detect E. tenella and E. maxima using the molecular diagnostic method of PCR. As such, we recommended PCR for monitoring E. tenella and E. maxima in laboratory avian facilities.

  20. Properties of PTFE tape as a semipermeable membrane in fluorous reactions

    Directory of Open Access Journals (Sweden)

    Brendon A. Parsons

    2015-06-01

    Full Text Available In a PTFE tape phase-vanishing reaction (PV-PTFE, a delivery tube sealed with PTFE tape is inserted into a vessel which contains the substrate. The reagent diffuses across the PTFE tape barrier into the reaction vessel. PTFE co-polymer films have been found to exhibit selective permeability towards organic compounds, which was affected by the presence of solvents. In this study, we attempted to establish general trends of permeability of PTFE tape to different compounds and to better describe the process of solvent transport in PV-PTFE bromination reactions. Though PTFE tape has been reported as impermeable to some compounds, such as dimethyl phthalate, solvent adsorption to the tape altered its permeability and allowed diffusion through channels of solvent within the PTFE tape. In this case, the solvent-filled pores of the PTFE tape are chemically more akin to the adsorbed solvent rather than to the PTFE fluorous structure. The solvent uptake effect, which was frequently observed in the course of PV-PTFE reactions, can be related to the surface tension of the solvent and the polarity of the solvent relative to the reagent. The lack of pores in bulk PTFE prevents solvents from altering its permeability and, therefore, bulk PTFE is impermeable to most solvents and reagents. However, bromine, which is soluble in liquid fluorous media, diffused through the bulk PTFE. A better understanding of the PTFE phase barrier will make it possible to further optimize the PV-PTFE reaction design.

  1. Importance of the textural characteristics of inert additives in the reduction of coal thermoplastic properties

    Energy Technology Data Exchange (ETDEWEB)

    A.M. Fernandez; C. Barriocanal; M.A. Diez; R. Alvarez [Instituto Nacional del Carbon, Oviedo (Spain)

    2010-11-15

    Seven carbonaceous materials of different origin were chosen in order to study the influence of their porous structure on the modification of the thermoplastic properties of a bituminous coal. The materials included were: two non-coking coals, a petroleum coke, coke fines, two residues from tyre recycling and a bituminous residue. The materials were heat-treated to 900{sup o}C to prevent any chemical interaction between the volatiles evolved during co-carbonization. The thermoplastic properties of blends that contained 10 wt.% of additive were measured by means of the Gieseler test. Microporosity was measured by CO{sub 2} adsorption at 273 K, whereas meso and macroporosity were determined by means of mercury porosimetry. The results of the porous structure assessment are discussed in relation to the modification of coal plasticity. 32 refs., 5 figs., 5 tabs.

  2. TECHNOLOGICAL AND FUNCTIONAL PROPERTIES OF LACTIC ACID BACTERIA: THE IMPORTANCE OF THESE MICROORGANISMS FOR FOOD

    Directory of Open Access Journals (Sweden)

    Amanda de Souza Motta

    2015-12-01

    Full Text Available Eacters of coccus or rods Gram-positive, catalase negative, non-sporulating, which produce lactic acid as the major end product during the fermentation of carbohydrates. When applied on food, provides beneficial effects to consumers through its functional and technological properties. With this the present review article, explore the potential application of lactic acid bacteria in food. The following genera are considered the principal lactic acid bacteria: Aerococcus, Carnobacterium, Enterococcus, Lactobacillus, Lactococcus, Leuconostoc, Oenococcus, Pediococcus, Streptococcus, Tetragenococcus, Vagococcus and Weissella. These cultures have been used as starter or adjunct cultures for the fermentation of foods and beverages due to their contributions to the sensorial characteristics of these products and by microbiological stability. Their probiotic properties have also been investigated. More recent studies by indigenous cultures have received increased attention in light of the search for isolated cultures of a given raw material and a certain region. These microorganisms are being investigated for its functional and technological potential that may be applied in product development with its own characteristics and designation of origin. Those properties will be discussed in the present review in order to highlight the performance of these bacteria and the high degree of control over the fermentation process and standardization of the final product. The use of autochthonous cultures will be considered due the increase of studies of new cultures of lactic acid bacteria isolated of milk and meat of distinct products.

  3. Study of material properties important for an optical property modulation-based radiation detection method for positron emission tomography.

    Science.gov (United States)

    Tao, Li; Daghighian, Henry M; Levin, Craig S

    2017-01-01

    We compare the performance of two detector materials, cadmium telluride (CdTe) and bismuth silicon oxide (BSO), for optical property modulation-based radiation detection method for positron emission tomography (PET), which is a potential new direction to dramatically improve the annihilation photon pair coincidence time resolution. We have shown that the induced current flow in the detector crystal resulting from ionizing radiation determines the strength of optical modulation signal. A larger resistivity is favorable for reducing the dark current (noise) in the detector crystal, and thus the higher resistivity BSO crystal has a lower (50% lower on average) noise level than CdTe. The CdTe and BSO crystals can achieve the same sensitivity under laser diode illumination at the same crystal bias voltage condition while the BSO crystal is not as sensitive to 511-keV photons as the CdTe crystal under the same crystal bias voltage. The amplitude of the modulation signal induced by 511-keV photons in BSO crystal is around 30% of that induced in CdTe crystal under the same bias condition. In addition, we have found that the optical modulation strength increases linearly with crystal bias voltage before saturation. The modulation signal with CdTe tends to saturate at bias voltages higher than 1500 V due to its lower resistivity (thus larger dark current) while the modulation signal strength with BSO still increases after 3500 V. Further increasing the bias voltage for BSO could potentially further enhance the modulation strength and thus, the sensitivity.

  4. Synthesis of ferrofluids based on cobalt ferrite nanoparticles: Influence of reaction time on structural, morphological and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Amirabadizadeh, Ahmad; Salighe, Zohre; Sarhaddi, Reza, E-mail: reza.sarhaddi@birjand.ac.ir; Lotfollahi, Zahra

    2017-07-15

    Highlights: • Ferrofluids based on cobalt ferrite nanoparticles were synthesized by co-precipitation method. • The crystallite and particle size of cobalt ferrite can be controlled effectively by reaction time. • The ferrofluids have lower values of saturation magnetization and coercivity as compared to nanoparticles. • By increasing the size of nanoparticles, the narrower and sharper spikes of ferrofluids are formed. - Abstract: In this work, for first time the ferrofluids based on the cobalt ferrite (CoFe{sub 2}O{sub 4}) nanoparticles were prepared by the co-precipitation method at different reaction times (0.5–6.5 h). Crystal structure, morphology and magnetic properties of the cobalt ferrite nanoparticles and the ferrofluids based on the nanoparticles were studied by X-ray diffraction (XRD), field emission scanning electron microscope (FESEM) and vibrating sample magnetometer (VSM). The XRD patterns of CoFe{sub 2}O{sub 4} nanoparticles synthesized at different reaction times indicated that all samples are single phase in accordance with inverse cubic spinel structure with space group Fd-3m, and no impurity phase was observed. By increasing the reaction time to 3.5 h, the lattice parameter and the average crystallites size increased and then afterwards decreased by increasing the reaction time. The microscopic studies indicated the formation of nanosized particles with nearly spherical in shape, whereas the average particle size for all samples is found to be less than 50 nm. The results of VSM also showed that the saturation magnetization and coercivity field of the cobalt ferrite nanoparticles and the ferrofluids were influenced by reaction time, whereas the ferrofluids have lower values of magnetic parameters than that of nanoparticles.

  5. Prediction of Mechanism and Thermochemical Properties of O3 + H2S Atmospheric Reaction

    Directory of Open Access Journals (Sweden)

    Morteza Vahedpour

    2013-01-01

    Full Text Available Ozone and hydrogen sulfide reaction mechanism including a complex was studied at the B3LYP/6-311++G(3df,3pd and CCSD/6-311++G(3df,3pd//B3LYP/6-311++G(3df,3pd levels of computation. The interaction between sulfur atom of hydrogen sulfide and terminal oxygen atom of ozone produces a stable H2S-O3 complex with no barrier. With the decomposition of this complex, four possible product channels have been found. Intrinsic reaction coordinate, topological analyses of atom in molecule, and vibrational frequency calculation have been used to confirm the suggested mechanism. Thermodynamic data at T = 298.15 K and the atmospheric pressure have been calculated. The results show that the production of H2O + SO2 is the main reaction channel with ΔG° = −645.84 kJ/mol. Rate constants of H2S + O3 reaction show two product channels, SO2 + H2O and HSO + HOO, which compete with each other based on the temperature.

  6. Influence of limestone powder on the reaction kinetics and mechanical properties of sodium carbonate activated slag

    NARCIS (Netherlands)

    Yuan, B.; Yu, Q.; Brouwers, H.J.H.

    2016-01-01

    The effects of limestone powder (LP) on the performance of Portland cement based composites have been extensively studied, considering that LP not only acts as nuclei sites, but that it is also chemically involved in the hydration process, which improves the reaction degree at the early age. In high

  7. Electrophilic properties of patulin. Adduct structures and reaction pathways with 4-bromothiophenol and other model nucleophiles.

    Science.gov (United States)

    Fliege, R; Metzler, M

    2000-05-01

    The mycotoxin patulin (PAT) is believed to exert its cytotoxic and chromosome-damaging effects by forming covalent adducts with essential cellular thiols. Since the chemical structures of such adducts are unknown to date, we have studied the reaction of PAT and its O-acetylated derivative with the monofunctional thiol model compound 4-bromothiophenol (BTP), which was chosen due to analytical advantages. By means of analytical and preparative high-performance liquid chromatography, 16 adducts of PAT and 3 adducts of acetyl-PAT were isolated and their chemical structures elucidated by (1)H and (13)C NMR, IR, and UV spectroscopy. Time course studies and analysis of daughter product formation from isolated intermediate adducts led to a detailed scheme for the reaction of PAT with BTP. The structures of adducts of PAT formed with other model nucleophiles, e. g., the aliphatic thiol 2-mercaptoethanol and the aromatic amine 4-bromoaniline, were also elucidated and found to corroborate the reaction scheme. In addition, one further reaction pathway was observed with 2-mercaptoethanol, which appears to be independent from those found for BTP. Our study with model nucleophiles provides insights into the electrophilic reactivity of PAT and proved to be useful for the structure elucidation of PAT adducts with biological nucleophiles of toxicological relevance, as will be reported by Fliege and Metzler [(2000) Chem. Res. Toxicol. 13, 373-381].

  8. Use of Isomerization and Hydroisomerization Reactions to Improve the Cold Flow Properties of Vegetable Oil Based Biodiesel

    Directory of Open Access Journals (Sweden)

    Stephen J. Reaume

    2013-01-01

    Full Text Available Biodiesel is a promising alternative to petroleum diesel with the potential to reduce overall net CO2 emissions. However, the high cloud point of biodiesel must be reduced when used in cold climates. We report on the use of isomerization and hydroisomerization reactions to reduce the cloud point of eight different fats and oils. Isomerization was carried out at 260 °C and 1.5 MPa H2 pressure utilizing beta zeolite catalyst, while hydroisomerization was carried out at 300 °C and 4.0 MPa H2 pressure utilizing 0.5 wt % Pt-doped beta zeolite catalyst. Reaction products were tested for cloud point and flow properties, in addition to catalyst reusability and energy requirements. Results showed that high unsaturated fatty acid biodiesels increased in cloud point, due to the hydrogenation side reaction. In contrast, low unsaturated fatty acid biodiesels yielded cloud point reductions and overall improvement in the flow properties. A maximum cloud point reduction of 12.9 °C was observed with coconut oil as the starting material. Results of the study have shown that branching can reduce the cloud point of low unsaturated fatty acid content biodiesel.

  9. Evaluation of the implementation of the R-matrix formalism with reference to the astrophysically important {sup 18}F(p,α){sup 15}O reaction

    Energy Technology Data Exchange (ETDEWEB)

    Mountford, D.J., E-mail: d.j.mountford86@gmail.com [SUPA, School of Physics and Astronomy, University of Edinburgh, EH9 3JZ (United Kingdom); Boer, R.J. de [Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Descouvemont, P. [Physique Nucléaire Théorique et Physique Mathématique, C.P. 229, Université Libre de Bruxelles (ULB), B 1050 Brussels (Belgium); Murphy, A. St. J. [SUPA, School of Physics and Astronomy, University of Edinburgh, EH9 3JZ (United Kingdom); Uberseder, E.; Wiescher, M. [Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States)

    2014-12-11

    Background. The R-Matrix formalism is a crucial tool in the study of nuclear astrophysics reactions, and many codes have been written to implement the relevant mathematics. One such code makes use of Visual Basic macros. A further open-source code, AZURE, written in the FORTRAN programming language is available from the JINA collaboration and a C++ version, AZURE2, has recently become available. Purpose The detailed mathematics and extensive programming required to implement broadly applicable R-Matrix codes make comparisons between different codes highly desirable in order to check for errors. This paper presents a comparison of the three codes based around data and recent results of the astrophysically important {sup 18}F(p,α){sup 15}O reaction. Methods Using the same analysis techniques as in the work of Mountford et al. parameters are extracted from the two JINA codes, and the resulting cross-sections are compared. This includes both refitting data with each code and making low-energy extrapolations. Results All extracted parameters are shown to be broadly consistent between the three codes and the resulting calculations are in good agreement barring a known low-energy problem in the original AZURE code. Conclusion The three codes are shown to be broadly consistent with each other and equally valid in the study of astrophysical reactions, although one must be careful when considering low lying, narrow resonances which can be problematic when integrating.

  10. Molar extinction coefficients and other properties of an improved reaction center preparation from Rhodopseudomonas viridis

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, R.K.; Clayton, B.J.

    1978-01-01

    Reaction centers have been purified from chromatophores of Rhodopseudomonas viridis by treatment with lauryl dimethyl amine oxide followed by hydroxyapatite chromatography and precipitation with ammonium sulfate. The absorption spectrum at low temperature shows bands at 531 and 543 nm, assigned to two molecules of bacteriopheophytin b. The 600 nm band of bacteriochlorophyll b is resolved at low temperature into components at 601 and 606.5 nm. At room temperature the light-induced difference spectrum shows a negative band centered at 615 nm, where the absorption spectrum shows only a week shoulder adjacent to the 600 nm band. The fluorescence spectrum shows a band at 1000 nm and no fluorescence corresponding to the 830 nm absorption band. Two molecules of cytochrome 558 and three of cytochrome 552 accompany each reaction center. The differential extinction coefficient (reduced minus oxidized) of cytochrome 558 nm was estimated as 20 +- 2 mM/sup -1/.cm/sup -1/ through a coupled reaction with equine cytochrome c. The extinction coefficient of reaction centers at 960 nm was determined to be 123 +- 25 mM/sup -1/.cm/sup -1/ by measuring the light-induced bleaching of P-960 and the coupled oxidation of cytochrome 558. The corresponding extinction coefficient at 830 nm is 300 +- 65 mM/sup -1/.cm/sup -1/. The absorbance ratio ..cap alpha../sub 280nm/..cap alpha../sub 830nm/ in our preparations was 2.1, and there was 190 kg protein per mol of reaction centers. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis showed three major components of apparent molecular weights 31,000, 37,000, and 41,000.

  11. Antimicrobial properties of nest volatiles in red imported fire ants, Solenopsis invicta (Hymenoptera: Formicidae)

    Science.gov (United States)

    In social insects, antimicrobial secretions are often used collectively for the benefit of the whole colony, which is an important component in social immunity. Many ant species build nests in which air circulation can be controlled. Volatile antimicrobial agents would be ideal in implementing socia...

  12. Capturing optically important constituents and properties in a marine biogeochemical and ecosystem model

    Science.gov (United States)

    Dutkiewicz, S.; Hickman, A. E.; Jahn, O.; Gregg, W. W.; Mouw, C. B.; Follows, M. J.

    2015-07-01

    We present a numerical model of the ocean that couples a three-stream radiative transfer component with a marine biogeochemical-ecosystem component in a dynamic three-dimensional physical framework. The radiative transfer component resolves the penetration of spectral irradiance as it is absorbed and scattered within the water column. We explicitly include the effect of several optically important water constituents (different phytoplankton functional types; detrital particles; and coloured dissolved organic matter, CDOM). The model is evaluated against in situ-observed and satellite-derived products. In particular we compare to concurrently measured biogeochemical, ecosystem, and optical data along a meridional transect of the Atlantic Ocean. The simulation captures the patterns and magnitudes of these data, and estimates surface upwelling irradiance analogous to that observed by ocean colour satellite instruments. We find that incorporating the different optically important constituents explicitly and including spectral irradiance was crucial to capture the variability in the depth of the subsurface chlorophyll a (Chl a) maximum. We conduct a series of sensitivity experiments to demonstrate, globally, the relative importance of each of the water constituents, as well as the crucial feedbacks between the light field, the relative fitness of phytoplankton types, and the biogeochemistry of the ocean. CDOM has proportionally more importance at attenuating light at short wavelengths and in more productive waters, phytoplankton absorption is relatively more important at the subsurface Chl a maximum, and water molecules have the greatest contribution when concentrations of other constituents are low, such as in the oligotrophic gyres. Scattering had less effect on attenuation, but since it is important for the amount and type of upwelling irradiance, it is crucial for setting sea surface reflectance. Strikingly, sensitivity experiments in which absorption by any of the

  13. Importance of intrinsic properties of dense caseinate dispersions for structure formation.

    Science.gov (United States)

    Manski, Julita M; van Riemsdijk, Lieke E; van der Goot, Atze J; Boom, Remko M

    2007-11-01

    Rheological measurements of dense calcium caseinate and sodium caseinate dispersions (> or =15%) provided insight into the factors determining shear-induced structure formation in caseinates. Calcium caseinate at a sufficiently high concentration (30%) was shown to form highly anisotropic structures during shearing and concurrent enzymatic cross-linking. In contrast, sodium caseinate formed isotropic structures using similar processing conditions. The main difference between the two types of caseinates is the counterion present, and as a consequence, the size of structural elements and their interactions. The rheological behavior of calcium caseinate and sodium caseinate reflected these differences, yielding non-monotonic and shear thinning flow behavior for calcium caseinate whereas sodium caseinate behaved only slightly shear thinning. It appears that the intrinsic properties of the dense caseinate dispersions, which are reflected in their rheological behavior, affect the structure formation that was found after applying shear. Therefore, rheological measurements are useful to obtain an indication of the structure formation potential of caseinate dispersions.

  14. Importance of non-parabolic band effects in the thermoelectric properties of semiconductors

    Science.gov (United States)

    Chen, Xin; Parker, David; Singh, David J.

    2013-01-01

    We present an analysis of the thermoelectric properties of of n-type GeTe and SnTe in relation to the lead chalcogenides PbTe and PbSe. We find that the singly degenerate conduction bands of semiconducting GeTe and SnTe are highly non-ellipsoidal, even very close to the band edges. This leads to isoenergy surfaces with a strongly corrugated shape that is clearly evident at carrier concentrations well below 0.005 e per formula unit (7–9 × 1019 cm−3 depending on material). Analysis within Boltzmann theory suggests that this corrugation may be favorable for the thermoelectric transport. Our calculations also indicate that values of the power factor for these two materials may well exceed those of PbTe and PbSe. As a result these materials may exhibit n-type performance exceeding that of the lead chalcogenides. PMID:24196778

  15. Thermal and physicochemical properties important for the long term behavior of nuclear waste glasses

    International Nuclear Information System (INIS)

    Vernaz, E.; Matzke, H.J.

    1992-01-01

    High level nuclear waste from reprocessing of spent nuclear fuel has to be solidified in a stable matrix for safe long-time storage. Vitrification in borosilicate glasses is the technique accepted worldwide. A number of different glasses was developed in different national programs. The criteria and the reasons for selecting the final compositions are briefly described. Emphasis is placed on the French product R7T7 and on thermal and physicochemical properties though glasses developed in other national projects (e.g. the German product GP 98/12 etc.) are also treated. The basic physical and mechanical properties and the chemical durability of the glass in contact with water or other aqueous solutions are described. The basic mechanisms of aqueous corrosion are discussed and the evolving modelling of the leaching process is dealt with, as well as effects of container material, backfill, etc. The thermal behavior has also been studied and extensive data exist on diffusion of glass constituents (Na) and of interesting elements of the waste such as the alkalis Rb and Cs or the actinides U and Pu, as well as on crystallization processes in the glass during storage at elevated temperatures. Emphasis is placed on the radiation stability of the glasses, based on extensive studies using short-lived actinides (e.g. Cm-244) or ion-implantation to produce the damage expected during long storage at an accelerated rate. The radiation stability is shown to be very good, if realistic damage conditions are used. The knowledge accumulated in the past years is used to evaluate and predict the long-term evolution of the glass under storage conditions

  16. Sensory properties of chile pepper heat - and its importance to food quality and cultural preference.

    Science.gov (United States)

    Guzmán, Ivette; Bosland, Paul W

    2017-10-01

    Chile peppers are one of the most important vegetable and spice crops in the world. They contain capsaicinoids that are responsible for the characteristic burning (pungency) sensation. Currently, there are 22 known naturally occurring capsaicinoids that can cause the heat sensation when consumed. Each produces a different heat sensation effect in the mouth. A need exists for a standard and new terminology to describe the complex heat sensation one feels when eating a chile pepper. A comprehensive set of descriptors to describe the sensory characteristics of chile pepper heat was developed. It was validated with trained panelists tasting samples representing the five domesticated species and 14 pod-types within these species. Five key attributes that define and reference a lexicon for describing the heat sensation of chile peppers were determined to describe the heat sensation in any product, and importantly, can be used in the food industry worldwide. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  17. Asymptotic properties of blow-up solutions in reaction-diffusion equations with nonlocal boundary flux

    Science.gov (United States)

    Liu, Bingchen; Dong, Mengzhen; Li, Fengjie

    2018-04-01

    This paper deals with a reaction-diffusion problem with coupled nonlinear inner sources and nonlocal boundary flux. Firstly, we propose the critical exponents on nonsimultaneous blow-up under some conditions on the initial data. Secondly, we combine the scaling technique and the Green's identity method to determine four kinds of simultaneous blow-up rates. Thirdly, the lower and the upper bounds of blow-up time are derived by using Sobolev-type differential inequalities.

  18. Thermal Decomposition Reaction of Acetophenone Cyclic Diperoxide in Solvents of Different Physicochemical Properties

    Directory of Open Access Journals (Sweden)

    C. M. Mateo

    2000-03-01

    Full Text Available The thermal decomposition reaction of acetophenone cyclic diperoxide (trans-3,6-dimethyl-3,6-diphenyl-1,2,4,5-tetroxane; APDP at the initial concentration of c.a. 0.01 mol kg-1 and temperature ranges of 135.5 to 185.0° C has been investigated in dioxane and acetonitrile solutions, and in an 2-propanol/benzene mixture.

  19. Effects of heat-moisture treatment reaction conditions on the physicochemical and structural properties of maize starch: moisture and length of heating.

    Science.gov (United States)

    Sui, Zhongquan; Yao, Tianming; Zhao, Yue; Ye, Xiaoting; Kong, Xiangli; Ai, Lianzhong

    2015-04-15

    Changes in the properties of normal maize starch (NMS) and waxy maize starch (WMS) after heat-moisture treatment (HMT) under various reaction conditions were investigated. NMS and WMS were adjusted to moisture levels of 20%, 25% and 30% and heated at 100 °C for 2, 4, 8 and 16 h. The results showed that moisture content was the most important factor in determining pasting properties for NMS, whereas the heating length was more important for WMS. Swelling power decreased in NMS but increased in WMS, and while the solubility index decreased for both samples, the changes were largely determined by moisture content. The gelatinisation temperatures of both samples increased with increasing moisture content but remained unchanged with increasing heating length. The Fourier transform infrared (FT-IR) absorbance ratio was affected to different extents by the moisture levels but remained constant with increasing the heating length. The X-ray intensities increased but relative crystallinity decreased to a greater extent with increasing moisture content. This study showed that the levels of moisture content and length of heating had significant impacts on the structural and physicochemical properties of normal and waxy maize starches but to different extents. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. The importance of fuel properties in the formation of nitrogen oxides and in combustion

    International Nuclear Information System (INIS)

    Aho, M.; Haemaelaeinen, J.; Rantanen, J.; Saastamoinen, J.

    1996-01-01

    Reactions of fuel nitrogen during pyrolysis and combustion of pulverized hvb coal, two peats and fir bark, thermal DeNOx-process and formation of N 2 0 from char were studied experimentally in a pressurized entrained flow reactor. Mass loss of fuel, release of C,N,H and 0, and formation of NH 3 and HCN were measured during pyrolysis (in N 2 containing O 2 vol ). Mass loss, and formation of NO, N 2 O and NO 2 through HCN and NH 3 were measured during combustion at 5-4 vol% O 2 . Thermal DeNOx process was studied at 2 and 15 bar at T= 700-950 deg C. Formation of N 2 O from peat and its char was studied in a modified thermobalance. The rate of pyrolysis of high-volatile fuels (fir bark and peat) increased with pressure. A reverse trend was found with Polish hvb coal. The HCN/NH 3 ratio in the flame was dependent on the fuel-O/fuel-N ratio and independent of pressure. Pressure did, however, increase the N 2 O/NO ratio, because the concentrations of the key radicals in NO formation are decreased by pressure. With peats, the formation of N 2 O increased slightly with pressure. The emissions of N 2 O, however, doubled with wood bark when the pressure increased from 0.2 MPa to 0.8 MPa. Formation of NO 2 increased clearly with pressure, and was fuel-dependent. One peat sample produced three times as much NO 2 as the other under identical conditions. Pressure seemed to effect on Thermal DeNOx-process by lowering the effective temperature. Experiments with entrained flow of fuel and its char in project Liekki2-301, and experiments with single char and fuel particles in this project suggested that volatile nitrogen forms much more N 2 O than char-N. Bed effects can change this situation in a real fluidized bed combustion process. (author)

  1. One–pot synthesis and electrochemical properties of polyaniline nanofibers through simply tuning acid–base environment of reaction medium

    International Nuclear Information System (INIS)

    Li, Tao; Zhou, Yi; Liang, Banglei; Jin, Dandan; Liu, Na; Qin, Zongyi; Zhu, Meifang

    2017-01-01

    Highlights: •Presenting a facile one–pot approach to prepare polyaniline nanofibers through simply tuning acid–base environment of reaction medium. •Determining the role of aniline oligomers play in the formation of polyaniline nanofibers. •Demonstrating the feasibility of polyaniline nanofibers as high–performance electrode materials for supercapacitors. -- Abstract: A facile and efficient one–pot approach was presented to prepare polyaniline (PANi) nanofibers through simply tuning acid–base environment of reaction medium without the assistance of templates or use of organic solvents, in which aniline oligomers formed in the alkaline solution were used as “seeds” for the oriented growth of PANi chains under acidic conditions. The as–prepared PANi nanofibers were investigated by field–emission scanning electron microscopy, ultraviolet–visible spectroscopy, Fourier transform infrared spectroscopy and X–ray diffraction technology. Furthermore, the electrochemical properties were evaluated by cyclic voltammetry, galvanostatic charge–discharge test, and electrochemical impedance spectroscopy. More attentions were paid to the influence of aniline concentrations in alkaline and acidic reaction medium on the morphology, microstructure and properties of PANi nanofibers. It can be found that aniline concentration in alkaline medium has a stronger impact on the electrical and electrochemical properties of final products, however, their morphologies obviously depend on aniline concentration in acidic solution. Moreover, PANi nanofibers prepared at aniline concentrations of 48 mM in alkaline medium and 0.2 M in acidic medium exhibits the largest specific capacitance of 857.2 F g −1 at the scan rate of 5 mV s −1 , and capacitance retention of 63.8% after 500 cycles. It is demonstrated that such one–pot approach can present a low cost and environmental friendly route to fabricate PANi nanofibers in fully aqueous solution as high

  2. Investigation on Mechanical Properties and Reaction Characteristics of Al-PTFE Composites with Different Al Particle Size

    Directory of Open Access Journals (Sweden)

    Jia-xiang Wu

    2018-01-01

    Full Text Available Al-PTFE (aluminum-polytetrafluoroethylene serves as one among the most promising reactive materials (RMs. In this work, six types of Al-PTFE composites with different Al particle sizes (i.e., 50 nm, 1∼2 μm, 6∼7 μm, 12∼14 μm, 22∼24 μm, and 32∼34 μm were prepared, and quasistatic compression and drop weight tests were conducted to characterize the mechanical properties and reaction characteristics of Al-PTFE composites. The reaction phenomenon and stress-strain curves were recorded by a high-speed camera and universal testing machine. The microstructure of selected specimens was anatomized through adopting a scanning electron microscope (SEM to correlate the mesoscale structural characteristics to their macroproperties. As the results indicated, in the case of quasistatic compression, the strength of the composites was decreased (the yield strength falling from 22.7 MPa to 13.6 MPa and the hardening modulus declining from 33.3 MPa to 25 MPa with the increase of the Al particle size. The toughness rose firstly and subsequently decreased and peaked as 116.42 MJ/m3 at 6∼7 μm. The reaction phenomenon occurred only in composites with the Al particle size less than 10 μm. In drop weight tests, six types of specimens were overall reacted. As the Al particle size rose, the ignition energy of the composites enhanced and the composites turned out to be more insensitive to reaction. In a lower strain rate range (10−2·s−1∼102·s−1, Al-PTFE specimens take on different mechanical properties and reaction characteristics in the case of different strain rates. The formation of circumferential open cracks is deemed as a prerequisite for Al-PTFE specimens to go through a reaction.

  3. How important are scaffolds and their surface properties in regenerative medicine

    Energy Technology Data Exchange (ETDEWEB)

    Idaszek, J.; Kijeńska, E.; Łojkowski, M.; Swieszkowski, W., E-mail: wojciech.swieszkowski@inmat.pw.edu.pl

    2016-12-01

    Highlights: • Cell performance on AM scaffolds can be controlled by modification of surface chemistry as well as their architecture. • Introduction of chemical groups/particles increasing surface wettability and surface energy has a positive effect on cell retention and adhesion. • The properties of nanofiber scaffold like fibers orientation, wettability, roughness and chemical composition direct spreading, proliferation, maturation and differentiation of the cells promoting tissue re-growth. - Abstract: The ability of cells to sense various cues present within their natural habitat gives a tremendous opportunity to steer their fate in vitro within artificial matrices (scaffolds). However, the variety of signals and their chemical and physical origin makes engineering of the scaffolds quite challenging and requires careful design in order to obtained the desired outcome. Herein, we discuss the effect of architecture and surface of scaffolds fabricated by means of additive manufacturing and electrospinning on cell retention, spreading, proliferation and differentiation. Additionally, we present some of the reported surface and bulk modifications of the scaffolds, which positively affected cell performance. Finally, in the last part we discuss application of multicellular spheroids as a useful tool to study cell performance within three-dimensional and porous structures.

  4. Phytochemical and Pharmacological Properties of Gymnema sylvestre: An Important Medicinal Plant

    Directory of Open Access Journals (Sweden)

    Pragya Tiwari

    2014-01-01

    Full Text Available Gymnema sylvestre (Asclepiadaceae, popularly known as “gurmar” for its distinct property as sugar destroyer, is a reputed herb in the Ayurvedic system of medicine. The phytoconstituents responsible for sweet suppression activity includes triterpene saponins known as gymnemic acids, gymnemasaponins, and a polypeptide, gurmarin. The herb exhibits a broad range of therapeutic effects as an effective natural remedy for diabetes, besides being used for arthritis, diuretic, anemia, osteoporosis, hypercholesterolemia, cardiopathy, asthma, constipation, microbial infections, indigestion, and anti-inflammatory. G. sylvestre has good prospects in the treatment of diabetes as it shows positive effects on blood sugar homeostasis, controls sugar cravings, and promotes regeneration of pancreas. The herbal extract is used in dietary supplements since it reduces body weight, blood cholesterol, and triglyceride levels and holds great prospects in dietary as well as pharmacological applications. This review explores the transition of a traditional therapeutic to a modern contemporary medication with an overview of phytochemistry and pharmacological activities of the herb and its phytoconstituents.

  5. How important are scaffolds and their surface properties in regenerative medicine

    International Nuclear Information System (INIS)

    Idaszek, J.; Kijeńska, E.; Łojkowski, M.; Swieszkowski, W.

    2016-01-01

    Highlights: • Cell performance on AM scaffolds can be controlled by modification of surface chemistry as well as their architecture. • Introduction of chemical groups/particles increasing surface wettability and surface energy has a positive effect on cell retention and adhesion. • The properties of nanofiber scaffold like fibers orientation, wettability, roughness and chemical composition direct spreading, proliferation, maturation and differentiation of the cells promoting tissue re-growth. - Abstract: The ability of cells to sense various cues present within their natural habitat gives a tremendous opportunity to steer their fate in vitro within artificial matrices (scaffolds). However, the variety of signals and their chemical and physical origin makes engineering of the scaffolds quite challenging and requires careful design in order to obtained the desired outcome. Herein, we discuss the effect of architecture and surface of scaffolds fabricated by means of additive manufacturing and electrospinning on cell retention, spreading, proliferation and differentiation. Additionally, we present some of the reported surface and bulk modifications of the scaffolds, which positively affected cell performance. Finally, in the last part we discuss application of multicellular spheroids as a useful tool to study cell performance within three-dimensional and porous structures.

  6. Antimicrobial Activity – The Most Important Property of Probiotic and Starter Lactic Acid Bacteria

    Directory of Open Access Journals (Sweden)

    Blaženka Kos

    2010-01-01

    Full Text Available The antimicrobial activity of industrially important lactic acid bacteria as starter cultures and probiotic bacteria is the main subject of this review. This activity has been attributed to the production of metabolites such as organic acids (lactic and acetic acid, hydrogen peroxide, ethanol, diacetyl, acetaldehyde, acetoine, carbon dioxide, reuterin, reutericyclin and bacteriocins. The potential of using bacteriocins of lactic acid bacteria, primarily used as biopreservatives, represents a perspective, alternative antimicrobial strategy for continuously increasing problem with antibiotic resistance. Another strategy in resolving this problem is an application of probiotics for different gastrointestinal and urogenital infection therapies.

  7. Constraining the EOS of Neutron-Rich Nuclear Matter and Properties of Neutron Stars with Heavy-Ion Reactions

    International Nuclear Information System (INIS)

    Li Baoan; Worley, Aaron; Chen, L.-W.; Ko, Che Ming; Krastev, Plamen G.; Wen Dehua; Xiao Zhigang; Zhang Ming; Xu Jun; Yong Gaochan

    2009-01-01

    Heavy-ion reactions especially those induced by radioactive beams provide useful information about the density dependence of the nuclear symmetry energy, thus the Equation of State of neutron-rich nuclear matter, relevant for many astrophysical studies. The latest developments in constraining the symmetry energy at both sub- and supra-saturation densities from analyses of the isopsin diffusion and the π - /π + ratio in heavy-ion collisions using the IBUU04 transport model are discussed. Astrophysical ramifications of the partially constrained symmetry energy on properties of neutron star crusts, gravitational waves emitted by deformed pulsars and the w-mode oscillations of neutron stars are presented briefly.

  8. Study on the properties of leading protons and antiprotons from exclusive anti pp reactions at 32 GeV/c

    International Nuclear Information System (INIS)

    Bogolyubskij, M.Yu.; Borovikov, A.A.; Boos, Eh.G.

    1986-01-01

    The leading properties of protons and antiprotons from the nondiffractive events are studied for p-barp-exclusive reactions at 32 GeV/c. It is found that the relative leading effect of protons and antiprotons does not depend on the final-state multiplicity and that the longitudinal moments of the leading hadrons are uncorrelated, but a significant part of the transverse momentum of a leading hadron is compensated by the transverse momentum of another leading hadron. It is shown that these experimental facts are described well by a statistical jet-independent model but contradict the Lund string-fragmentation model

  9. Importance of gradients in membrane properties and electrical coupling in sinoatrial node pacing.

    Directory of Open Access Journals (Sweden)

    Shin Inada

    Full Text Available The sinoatrial node (SAN is heterogeneous in terms of cell size, ion channels, current densities, connexins and electrical coupling. For example, Nav1.5 (responsible for INa and Cx43 (responsible for electrical coupling are absent from the centre of the SAN (normally the leading pacemaker site, but present in the periphery (at SAN-atrial muscle junction. To test whether the heterogeneity is important for the functioning of the SAN, one- and two-dimensional models of the SAN and surrounding atrial muscle were created. Normal functioning of the SAN (in terms of cycle length, position of leading pacemaker site, conduction times, activation and repolarization sequences and space constants was observed when, from the centre to the periphery, (i cell characteristics (cell size and ionic current densities were changed in a gradient fashion from a central-type (lacking INa to a peripheral-type (possessing INa and (ii coupling conductance was increased in a gradient fashion. We conclude that the heterogeneous nature of the node is important for its normal functioning. The presence of Nav1.5 and Cx43 in the periphery may be essential for the node to be able to drive the atrial muscle: Nav1.5 provides the necessary depolarizing current and Cx43 delivers it to the atrial muscle.

  10. Therapy against organophosphate poisoning: The importance of anticholinergic drugs with antiglutamatergic properties

    International Nuclear Information System (INIS)

    Weissman, Ben Avi; Raveh, Lily

    2008-01-01

    Potent cholinesterase inhibitors (e.g., soman, sarin), induce a wide range of deleterious effects including convulsions, behavioral impairments and ultimately, death. Due to the likelihood of various scenarios of military or terrorist attacks by these and other chemical weapons, research has to be aimed at finding optimal therapies. Early accumulation of acetylcholine in synaptic clefts was suggested to trigger an array of toxic events including an excessive release of glutamate, culminating in the activation of its receptors. Stimulation of the N-Methyl-D-Aspartate (NMDA) subtype of these receptors was associated with the neuronal injury that initiates organophosphate-induced brain damage. The notion of a stepwise mechanism yielded treatments based on a combination of an immediate administration of enzyme reactivators and anticholinergic drugs. This strategy dramatically increased survival rates but did not abolish convulsions and failed to prevent the ensuing cognitive dysfunction. Efforts to improve this paradigm by adding anticonvulsants or antiglutamatergic drugs with anti-epileptic characteristics produced dubious results. Under these conditions, benactyzine and caramiphen, agents with anticholinergic and antiglutamatergic properties, provided improved protection when introduced as adjunct agents to oximes, reversible cholinesterase inhibitors and/or specific antimuscarinic drugs such as atropine. In contrast, the specific antimuscarinic drug scopolamine failed to block soman-induced changes in glutamatergic and behavioral parameters even when given prophylactically. These findings along with a large number of additional reports led towards the conclusion that the therapeutic advantage of drugs such as benactyzine and caramiphen could derive from their ability to modulate central cholinergic and glutamate neurotransmission

  11. The Importance of Hurricane Research to Life, Property, the Economy, and National Security.

    Science.gov (United States)

    Busalacchi, A. J.

    2017-12-01

    The devastating 2017 Atlantic hurricane season has brought into stark relief how much hurricane forecasts have improved - and how important it is to make them even better. Whereas the error in 48-hour track forecasts has been reduced by more than half, according to the National Hurricane Center, intensity forecasts remain challenging, especially with storms such as Harvey that strengthened from a tropical depression to a Category 4 hurricane in less than three days. The unusually active season, with Hurricane Irma sustaining 185-mph winds for a record 36 hours and two Atlantic hurricanes reaching 150-mph winds simultaneously for the first time, also highlighted what we do, and do not, know about how tropical cyclones will change as the climate warms. The extraordinary toll of Hurricanes Harvey, Irma, and Maria - which may ultimately be responsible for hundreds of deaths and an estimated $200 billion or more in damages - underscores why investments into improved forecasting must be a national priority. At NCAR and UCAR, scientists are working with their colleagues at federal agencies, the private sector, and the university community to advance our understanding of these deadly storms. Among their many projects, NCAR researchers are making experimental tropical cyclone forecasts using an innovative Earth system model that allows for variable resolution. We are working with NOAA to issue flooding, inundation, and streamflow forecasts for areas hit by hurricanes, and we have used extremely high-resolution regional models to simulate successfully the rapid hurricane intensification that has proved so difficult to predict. We are assessing ways to better predict the damage potential of tropical cyclones by looking beyond wind speed to consider such important factors as the size and forward motion of the storm. On the important question of climate change, scientists have experimented with running coupled climate models at a high enough resolution to spin up a hurricane

  12. Effect of important operating parameters on product properties and operation of HDPE slurry reactor

    International Nuclear Information System (INIS)

    Soltanieh, M.; Remezani Saadat Abadi, A.; Dashti, A.; Mokhtari, J.

    2007-01-01

    In this article, a complete model for the mixed flow slurry reactor for polymerization of ethylene to high density polyethylene in the presence of Ziegler-Natta catalyst is presented. In addition to the effects of the multiple active sites, the effect of other important parameters such as the catalyst concentration, co-catalyst, hydrogen, monomer, impurities and pressure on the mass-average and number-average polymer product chain length, the average product distribution index and the required residence time for the reactor were investigated. The simulation results show that as the catalyst, hydrogen and solvent concentrations increase, the mass and number-average polymer chain length decrease, whereas with increasing monomer concentration and pressure, the average molecular weight increases. The effects of these parameters on the polydispersity index and residence time do not follow the same trend and their relationship changes in some of these variables

  13. Thermal effects on the mechanical properties of SiC fibre reinforced reaction-bonded silicon nitride matrix composites

    Science.gov (United States)

    Bhatt, R. T.; Phillips, R. E.

    1990-01-01

    The elevated temperature four-point flexural strength and the room temperature tensile and flexural strength properties after thermal shock were measured for ceramic composites consisting of 30 vol pct uniaxially aligned 142 micron diameter SiC fibers in a reaction bonded Si3N4 matrix. The elevated temperature strengths were measured after 15 min of exposure in air at temperatures to 1400 C. Thermal shock treatment was accomplished by heating the composite in air for 15 min at temperatures to 1200 C and then quenching in water at 25 C. The results indicate no significant loss in strength properties either at temperature or after thermal shock when compared with the strength data for composites in the as-fabricated condition.

  14. Spectroscopic and Electrochemical Properties of Lithium-Rich LiFePO4 Cathode Synthesized by Solid-State Reaction

    Science.gov (United States)

    Rosaiah, P.; Hussain, O. M.; Zhu, Jinghui; Qiu, Yejun

    2017-08-01

    Lithium iron phosphate (Li x FePO4) is synthesized by a solid-state reaction method. The structural, electrical and electrochemical properties are studied in detail. It is found that the increment of lithium concentration (up to x = 1.05) does not affect the structure of LiFePO4 but improves its electrical conductivity as well as electrochemical performance. Surface morphological studies exhibited the formation of rod-like nanoparticles with small size. Electric and dielectric properties are also investigated over a frequency range of 1 Hz-1 MHz at different temperatures. The conductivity increased with increasing temperature, which follows the Arrhenius relation with the activation energy of about 0.31 eV. And the electrochemical tests found that the Li1.05FePO4 cathode possessed improved discharge capacity with better cycling performance.

  15. Stability of operational taxonomic units: an important but neglected property for analyzing microbial diversity.

    Science.gov (United States)

    He, Yan; Caporaso, J Gregory; Jiang, Xiao-Tao; Sheng, Hua-Fang; Huse, Susan M; Rideout, Jai Ram; Edgar, Robert C; Kopylova, Evguenia; Walters, William A; Knight, Rob; Zhou, Hong-Wei

    2015-01-01

    The operational taxonomic unit (OTU) is widely used in microbial ecology. Reproducibility in microbial ecology research depends on the reliability of OTU-based 16S ribosomal subunit RNA (rRNA) analyses. Here, we report that many hierarchical and greedy clustering methods produce unstable OTUs, with membership that depends on the number of sequences clustered. If OTUs are regenerated with additional sequences or samples, sequences originally assigned to a given OTU can be split into different OTUs. Alternatively, sequences assigned to different OTUs can be merged into a single OTU. This OTU instability affects alpha-diversity analyses such as rarefaction curves, beta-diversity analyses such as distance-based ordination (for example, Principal Coordinate Analysis (PCoA)), and the identification of differentially represented OTUs. Our results show that the proportion of unstable OTUs varies for different clustering methods. We found that the closed-reference method is the only one that produces completely stable OTUs, with the caveat that sequences that do not match a pre-existing reference sequence collection are discarded. As a compromise to the factors listed above, we propose using an open-reference method to enhance OTU stability. This type of method clusters sequences against a database and includes unmatched sequences by clustering them via a relatively stable de novo clustering method. OTU stability is an important consideration when analyzing microbial diversity and is a feature that should be taken into account during the development of novel OTU clustering methods.

  16. Modelling explicit tides in the Indonesian seas: An important process for surface sea water properties.

    Science.gov (United States)

    Nugroho, Dwiyoga; Koch-Larrouy, Ariane; Gaspar, Philippe; Lyard, Florent; Reffray, Guillaume; Tranchant, Benoit

    2017-06-16

    Very intense internal tides take place in Indonesian seas. They dissipate and affect the vertical distribution of temperature and currents, which in turn influence the survival rates and transports of most planktonic organisms at the base of the whole marine ecosystem. This study uses the INDESO physical model to characterize the internal tides spatio-temporal patterns in the Indonesian Seas. The model reproduced internal tide dissipation in agreement with previous fine structure and microstructure observed in-situ in the sites of generation. The model also produced similar water mass transformation as the previous parameterization of Koch-Larrouy et al. (2007), and show good agreement with observations. The resulting cooling at the surface is 0.3°C, with maxima of 0.8°C at the location of internal tides energy, with stronger cooling in austral winter. The cycle of spring tides and neap tides modulates this impact by 0.1°C to 0.3°C. These results suggest that mixing due to internal tides might also upwell nutrients at the surface at a frequency similar to the tidal frequencies. Implications for biogeochemical modelling are important. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Study on Microstructures and Mechanical Properties of Foam Titanium Carbide Ceramics Fabricated by Reaction Sintering Process

    Science.gov (United States)

    Ma, Yana; Bao, Chonggao; Chen, Jie; Song, Suocheng; Han, Longhao

    2018-05-01

    Foam titanium carbide (TiC) ceramics with a three-dimensional network structure were fabricated by the reaction sintering process, in which polyurethane foam was taken as the template, and TiO2 and phenolic resin were used as the reactants. Phase, microstructures and fracture morphologies of foam TiC ceramics were characterized by x-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The results show that when the mass ratios of phenolic resin and TiO2 (F/T) are (0.8-1.2): 1, foam TiC ceramics with pure TiC phase can be formed. As the F/T ratios increase, crystal lattice parameters of fabricated foam TiC ceramics become bigger. When the value of F/T decreases from 1.2 to 0.8, grain size of TiC grows larger and microstructures get denser; meanwhile, the compressive strength increases from 0.10 to 1.05 MPa. Additionally, either raising the sintering temperatures or extending holding time can facilitate the completion of the reaction process and increase the compressive strength.

  18. Gas-Solid Reaction Properties of Fluorine Compounds and Solid Adsorbents for Off-Gas Treatment from Semiconductor Facility

    Directory of Open Access Journals (Sweden)

    Shinji Yasui

    2012-01-01

    Full Text Available We have been developing a new dry-type off-gas treatment system for recycling fluorine from perfluoro compounds present in off-gases from the semiconductor industry. The feature of this system is to adsorb the fluorine compounds in the exhaust gases from the decomposition furnace by using two types of solid adsorbents: the calcium carbonate in the upper layer adsorbs HF and converts it to CaF2, and the sodium bicarbonate in the lower layer adsorbs HF and SiF4 and converts them to Na2SiF6. This paper describes the fluorine compound adsorption properties of both the solid adsorbents—calcium carbonate and the sodium compound—for the optimal design of the fixation furnace. An analysis of the gas-solid reaction rate was performed from the experimental results of the breakthrough curve by using a fixed-bed reaction model, and the reaction rate constants and adsorption capacity were obtained for achieving an optimal process design.

  19. Effect of reaction time and polyethylene glycol monooleate-isocyanate composition on the properties of polyurethane-polysiloxane modified epoxy

    Science.gov (United States)

    Triwulandari, Evi; Ramadhan, Mohammad Kemilau; Ghozali, Muhammad

    2017-11-01

    Polyurethane-polysiloxane modified epoxy based on polyethylene glycol monooleate (PSME-PEGMO) was synthesized. Polyethylene glycol monooleate (PEGMO) for the synthesis of PSME-GMO was synthesized via esterification between oleic acid and polyethylene glycol by using sodium hydroxide as catalyst. Synthesis of PSME-PEGMO was conducted by reacting epoxy, isocyanate, PEGMO, and polysiloxane (hydrolyzed and condensable 3-glycidyloxypropyltrimethoxysilane) simultaneously in one step. This synthesis was carried out by varied the reaction time (1, 2, 3 hours), PEGMO-isocyanate composition (PI composition: 10 and 20 % toward epoxy), and isocyanate/PEGMO ratio (NCO/OH ratio: 1.5 and 2.5). Characterization of PSME-PEGMO was conducted by determining the isocyanate conversion, viscosity analysis, mechanical properties (tensile strength and elongation at break) and thermal analysis using thermogravimetric analysis (TGA). The data show that the PI composition and NCO/OH ratio does not affect the isocyanate conversion linearly. The viscosity of PSME-PEGMO product at ratio and composition variation show has tended to increase with increasing of reaction time. The highest tensile strength and elongation at break PSME-PEGMO was shown by PI composition 20%, NCO/OH ratio 2.5 and reaction time 3 hours.

  20. 41 CFR 102-75.75 - What is the most important consideration in evaluating a proposed transfer of excess real property?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What is the most... Guidelines § 102-75.75 What is the most important consideration in evaluating a proposed transfer of excess real property? In every case of a proposed transfer of excess real property, the most important...

  1. Novel heterometallic metal–azido complex synthesized by “one-step” reaction: synthetic strategy and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Yong-Kun [School of Chemistry and Chemical Engineering, Tianjin University of Technology, Tianjin 300384 (China); Li, Xiu-Ping [Technical center for safety of industrial products of Tianjin entry-exit inspection and quarantine bureau, Tianjin 300201 (China); Zhao, Cui; Wang, Hai-Chao; Xue, Min [School of Chemistry and Chemical Engineering, Tianjin University of Technology, Tianjin 300384 (China); Zhao, Jiong-Peng, E-mail: horryzhao@yahoo.com [School of Chemistry and Chemical Engineering, Tianjin University of Technology, Tianjin 300384 (China); Liu, Fu-Chen, E-mail: fuchenliutj@yahoo.com [School of Chemistry and Chemical Engineering, Tianjin University of Technology, Tianjin 300384 (China); Lanzhou Petrochemical College of Vocational Technology, Lanzhou 730060 (China)

    2013-06-15

    A novel heterometallic complex, [Ni{sub 2}Mn(N{sub 3}){sub 2}(nic){sub 4}·(H{sub 2}O){sub 2}]{sub n} (1) (nic=nicotinate), was obtained by assembling MnCl{sub 2}·4H{sub 2}O, Ni(NO{sub 3}){sub 2}·6H{sub 2}O, NaN{sub 3} and nicotinic acid with a “one step” synthetic strategy—hydrothermal reaction. The 3D structure of the complex can be described as end-on (EO) azido and syn,syn carboxylates mixed bridged by alternate Ni–Mn–Ni trimers linked by the nicotinate. Dominant ferromagnetic interactions were observed between the Ni{sup II} and Mn{sup II} ions in the trimer. - Graphical abstract: A novel heterometallic 3D complex [Ni{sub 2}Mn(N{sub 3}){sub 2}(nic){sub 4}·(H{sub 2}O){sub 2}]{sub n} (1) (nic=nicotinate) was synthesized by hydrothermal reaction. This complex exhibits interesting structural and magnetic properties. - Highlights: • It is difficult to construct simple coordination complexes with azide as “ligands” to obtain heterometallic metal–azido compounds. • A “one-step” method—hydrothermal reaction— was introduced to avoid the disadvantages of azide mentioned above. • The magnetic property is different with the isostructural homometal–azido complex due to the changed metal center.

  2. Microstructure and electrical-optical properties of cesium tungsten oxides synthesized by solvothermal reaction followed by ammonia annealing

    International Nuclear Information System (INIS)

    Liu Jingxiao; Ando, Yoshihiko; Dong Xiaoli; Shi Fei; Yin Shu; Adachi, Kenji; Chonan, Takeshi; Tanaka, Akikazu; Sato, Tsugio

    2010-01-01

    Cesium tungsten oxides (Cs x WO 3 ) were synthesized by solvothermal reactions using ethanol and 57.1 vol% ethanol aqueous solution at 200 o C for 12 h, and the effects of post annealing in ammonia atmosphere on the microstructure and electrical-optical properties were investigated. Agglomerated particles consisting of disk-like nanoparticles and nanorods of Cs x WO 3 were formed in the pure ethanol and ethanol aqueous solutions, respectively. The samples retained the original morphology and crystallinity after annealing in ammonia atmosphere up to 500 o C, while a small amount of nitrogen ion were incorporated in the lattice. The as-prepared Cs x WO 3 sample showed excellent near infrared (NIR) light shielding ability as well as high transparency in the visible light region. The electrical resistivity of the pressed pellets of the powders prepared in pure ethanol and 57.1 vol% ethanol aqueous solution greatly decreased after ammonia annealing at 500 o C, i.e., from 734 to 31.5 and 231 to 3.58 Ω cm, respectively. - Graphical abstract: Cesium tungsten oxides (Cs x WO 3 ) with different morphology were synthesized by solvothermal reaction, and the effects of post-ammonia annealing on the microstructure and electrical-optical properties were investigated.

  3. Novel heterometallic metal–azido complex synthesized by “one-step” reaction: synthetic strategy and magnetic properties

    International Nuclear Information System (INIS)

    Jiao, Yong-Kun; Li, Xiu-Ping; Zhao, Cui; Wang, Hai-Chao; Xue, Min; Zhao, Jiong-Peng; Liu, Fu-Chen

    2013-01-01

    A novel heterometallic complex, [Ni 2 Mn(N 3 ) 2 (nic) 4 ·(H 2 O) 2 ] n (1) (nic=nicotinate), was obtained by assembling MnCl 2 ·4H 2 O, Ni(NO 3 ) 2 ·6H 2 O, NaN 3 and nicotinic acid with a “one step” synthetic strategy—hydrothermal reaction. The 3D structure of the complex can be described as end-on (EO) azido and syn,syn carboxylates mixed bridged by alternate Ni–Mn–Ni trimers linked by the nicotinate. Dominant ferromagnetic interactions were observed between the Ni II and Mn II ions in the trimer. - Graphical abstract: A novel heterometallic 3D complex [Ni 2 Mn(N 3 ) 2 (nic) 4 ·(H 2 O) 2 ] n (1) (nic=nicotinate) was synthesized by hydrothermal reaction. This complex exhibits interesting structural and magnetic properties. - Highlights: • It is difficult to construct simple coordination complexes with azide as “ligands” to obtain heterometallic metal–azido compounds. • A “one-step” method—hydrothermal reaction— was introduced to avoid the disadvantages of azide mentioned above. • The magnetic property is different with the isostructural homometal–azido complex due to the changed metal center

  4. Electrical and Dielectric Properties of Polyaniline and Polyaniline/Montmorillonite Nanocomposite Prepared by Solid Reaction Using Spectroscopy Impedance

    Directory of Open Access Journals (Sweden)

    Imene Bekri-Abbes

    2015-01-01

    Full Text Available The combination of two components with uniform distribution in nanoscale is expected to facilitate wider applications of the material. In this study, polyaniline (PAn and polyaniline/montmorillonite (Mt nanocomposite were prepared by solid reaction using persulfate of ammonium as oxidant. The phase composition and morphology of the nanocomposite were characterized by FTIR, UV-visible spectroscopy, X-ray diffractometer, thermal gravimetric analysis, and scanning electron microscopy. The electrical and dielectric properties were determined using spectroscopy impedance. The analysis of UV-visible and FTIR spectroscopy demonstrated that aniline chloride has been polymerized into PAn in its conducting emeraldine form. Thermogravimetric analysis suggested that PAn chains intercalated in the clay host are more thermally stable than those of free PAn prepared by solid-solid reaction. Electrical measurements were carried out using the complex impedance technique in the frequency range of 10−2 to 104 Hz at different temperatures. The ac conductivity data of different nanocomposites were analyzed as a function of frequency and temperature. It has been found that the incorporation of inorganic clay phase into polyaniline matrix has an effect on the electrical and dielectric properties of the nanomaterial.

  5. The importance of a hot-sequential mechanism in triplet-state formation by charge recombination in reaction centers of bacterial photosynthesis

    International Nuclear Information System (INIS)

    Saito, K.; Mukai, K.; Sumi, H.

    2006-01-01

    In photosynthesis, pigment-excitation energies in the antenna system produced by light harvesting are transferred among antenna pigments toward the core antenna, where they are captured by the reaction center and initially fixed in the form of a charge separation. Primary charge separation between an oxidized special pair (P + ) and a reduced bacteriopheohytin (H - ) is occasionally intervened by recombination, and a spin-triplet state ( 3 P*) is formed on P in the bacterial reaction center. The 3 P* state is harmful to bio-organisms, inducing the formation of the highly damaging singlet oxygen species. Therefore, understanding the 3 P*-formation mechanism is important. The 3 P* formation is mediated by a state |m> of intermediate charge separation between P and the accessory chlorophyll, which is located between P and H. It will be shown theoretically in the present work that at room temperature, not only the mechanism of superexchange by quantum-mechanical virtual mediation at |m>, but also a hot-sequential mechanism contributes to the mediation. In the latter, although |m> is produced as a real state, the final state 3 P* is quickly formed during thermalization of phonons in the protein matrix in |m>. In the former, the final state is formed more quickly before dephasing-thermalization of phonons in |m>. 3 P* is unistep formed from the charge-separated state in the both mechanisms

  6. Mineralogical and chemical assessment of concrete damaged by the oxidation of sulfide-bearing aggregates: Importance of thaumasite formation on reaction mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, A. [Centre de Recherche sur les Infrastructures en Beton (CRIB), Universite Laval, 1065 ave de la Medecine, Quebec, QC, Canada G1V 0A6 (Canada); Duchesne, J., E-mail: josee.duchesne@ggl.ulaval.ca [Centre de Recherche sur les Infrastructures en Beton (CRIB), Universite Laval, 1065 ave de la Medecine, Quebec, QC, Canada G1V 0A6 (Canada); Fournier, B. [Centre de Recherche sur les Infrastructures en Beton (CRIB), Universite Laval, 1065 ave de la Medecine, Quebec, QC, Canada G1V 0A6 (Canada); Durand, B. [Institut de recherche d' Hydro-Quebec (IREQ), 1740 boul. Lionel-Boulet, Varennes, QC, Canada J3X 1S1 (Canada); Rivard, P. [Universite de Sherbrooke, Sherbrooke, QC, Canada J1K 2R1 (Canada); Shehata, M. [Ryerson University, 350 Victoria Street, Toronto, ON, Canada M5B 2K3 (Canada)

    2012-10-15

    Damages in concrete containing sulfide-bearing aggregates were recently observed in the Trois-Rivieres area (Quebec, Canada), characterized by rapid deterioration within 3 to 5 years after construction. A petrographic examination of concrete core samples was carried out using a combination of tools including: stereomicroscopic evaluation, polarized light microscopy, scanning electron microscopy, X-ray diffraction and electron microprobe analysis. The aggregate used to produce concrete was an intrusive igneous rock with different metamorphism degrees and various proportions of sulfide minerals. In the rock, sulfide minerals were often surrounded by a thin layer of carbonate minerals (siderite). Secondary reaction products observed in the damaged concrete include 'rust' mineral forms (e.g. ferric oxyhydroxides such as goethite, limonite (FeO (OH) nH{sub 2}O) and ferrihydrite), gypsum, ettringite and thaumasite. In the presence of water and oxygen, pyrrhotite oxidizes to form iron oxyhydroxides and sulphuric acid. The acid then reacts with the phases of the cement paste/aggregate and provokes the formation of sulfate minerals. Understanding both mechanisms, oxidation and internal sulfate attack, is important to be able to duplicate the damaging reaction in laboratory conditions, thus allowing the development of a performance test for evaluating the potential for deleterious expansion in concrete associated with sulfide-bearing aggregates.

  7. Mineralogical and chemical assessment of concrete damaged by the oxidation of sulfide-bearing aggregates: Importance of thaumasite formation on reaction mechanisms

    International Nuclear Information System (INIS)

    Rodrigues, A.; Duchesne, J.; Fournier, B.; Durand, B.; Rivard, P.; Shehata, M.

    2012-01-01

    Damages in concrete containing sulfide-bearing aggregates were recently observed in the Trois-Rivières area (Quebec, Canada), characterized by rapid deterioration within 3 to 5 years after construction. A petrographic examination of concrete core samples was carried out using a combination of tools including: stereomicroscopic evaluation, polarized light microscopy, scanning electron microscopy, X-ray diffraction and electron microprobe analysis. The aggregate used to produce concrete was an intrusive igneous rock with different metamorphism degrees and various proportions of sulfide minerals. In the rock, sulfide minerals were often surrounded by a thin layer of carbonate minerals (siderite). Secondary reaction products observed in the damaged concrete include “rust” mineral forms (e.g. ferric oxyhydroxides such as goethite, limonite (FeO (OH) nH 2 O) and ferrihydrite), gypsum, ettringite and thaumasite. In the presence of water and oxygen, pyrrhotite oxidizes to form iron oxyhydroxides and sulphuric acid. The acid then reacts with the phases of the cement paste/aggregate and provokes the formation of sulfate minerals. Understanding both mechanisms, oxidation and internal sulfate attack, is important to be able to duplicate the damaging reaction in laboratory conditions, thus allowing the development of a performance test for evaluating the potential for deleterious expansion in concrete associated with sulfide-bearing aggregates.

  8. The synthesis and properties of the phases obtained by solid-solid reactions

    Directory of Open Access Journals (Sweden)

    Blonska-Tabero A.

    2008-01-01

    Full Text Available The presented work encompasses the subject of the studies and the results obtained over the last years by the research workers of the Department of Inorganic Chemistry. They include mainly the studies on the reactivity of metal oxides, searching for new phases in binary and ternary systems of metal oxides as well as describing phase relations establishing in such systems. They also encompass works on the extensive characteristics of physico-chemical properties of the newly obtained compounds.

  9. Zeolite synthesis from the pyrrolidine containing system and their catalytic properties in the methanol conversion reaction

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Kunio; Kiyozumi, Yoshimichi; Shin, Shigemitsu; Ogawa, Kiyoshi; Yamazaki, Yasuyoshi; Watanabe, Hideo

    1987-12-18

    Systhesis of zeolite from a system containing cheaper pyrrolidine as a crystallization regulator than quaternary ammonium ion was carried out and the methanol conversion reaction was studied over the systhesized zeolite to get C/sub 2/ and C/sub 3/ olefins. Hydrous gels were prepared by adding and agitating pyrrolidine, water glass and sulfuric acid to aluminum sulfate solution; and aluminum nitrate, colloidal silica and pyrrolidine to NaOH solution. Five zeolite, that is, ZSM-5, ZSM-35, ZSM-39, ZSM-48 and KZ-1 were synthesized by changing gel components. X-ray powder diffraction, BET specific surface areas, micropore diameters, micropore volumes, oxygen contents by scanning electron photomicrographs and infra-red spectra were examined. The organic base in hydrous gels influenced greatly on the zeolite composition and structure. The ZSM-5 zeolite exhibited the superior performance as to a high selectivity of light olefins over the target of development. (12 figs, 1 tab, 20 refs)

  10. Patch test reactions associated with sunscreen products and the importance of testing to an expanded series: retrospective analysis of North American Contact Dermatitis Group data, 2001 to 2010.

    Science.gov (United States)

    Warshaw, Erin M; Wang, Michael Z; Maibach, Howard I; Belsito, Donald V; Zug, Kathryn A; Taylor, James S; Mathias, C G Toby; Sasseville, Denis; Zirwas, Matthew J; Fowler, Joseph F; DeKoven, Joel G; Fransway, Anthony F; DeLeo, Vincent A; Marks, James G; Pratt, Melanie D; Storrs, Frances J

    2013-01-01

    Both active and inactive ingredients in sunscreen may cause contact dermatitis. This study aimed to describe allergens associated with a sunscreen source. A cross-sectional analysis of patients patch tested by the North American Contact Dermatitis Group between 2001 and 2010 was performed. Of 23,908 patients patch tested, 219 (0.9%) had sunscreen coded as an allergen source. Patients who were male, with occupational dermatitis, or older (older than 40 years) had significantly lower rates of allergic reactions to sunscreens; the most commonly affected areas were the face and exposed sites (P Contact Dermatitis Group screening series of 65 to 70 allergens. A supplemental antigen series is important in detecting allergy to sunscreens.

  11. Preparation, characterization and toxicology properties of α- and β-chitosan Maillard reaction products nanoparticles.

    Science.gov (United States)

    Zhang, Hongcai; Zhang, Yiwen; Bao, Erjaing; Zhao, Yanyun

    2016-08-01

    In this study, β-chitosan (CS) Maillard reaction (MR) NPs was prepared to improve the water solubility of CS NPs. The α- and β-CS MR was firstly induced by high intensity ultrasound-assisted (UA) water-bath heating at 80°C for 8h. The α- and β-CS Maillard reaction products (MRPs NPs were then prepared by ionic gelation method between the positively charged primary amino groups of CS and the negatively charged groups of sodium tripolyphosphate (TPP). The α- and β-CS MRPs NPs had particle size of 42.49 and 61.74nm, and Zeta-potential of 27.43 and 35.13mV, respectively. The prepared α- and β-CS MRPs NPs was characterized by transmission electron microscope (TEM), Fourier transform infrared spectrometer (FT-IR), X-ray diffraction (XRD) and thermogravimetric analysis (TGA)-differential scanning calorimetry (DSC) to verify whether α- and β-CS MRPs has been incorporated into the CS NPs. The α- and β-CS MRPs NPs exhibited no significant difference (p>0.05) in antioxidant activity compared with α- and β-CS MRPs at the same concentration based on reducing power, DPPH radical scavenging activity, and ORAC values. The cytotoxicity test of α- and β-CS MRPs NPs showed good cell viability (70.86-99.16%) of human pulmonary microvascular endothelial cells (HLMVEC) at the concentration range from 0.12 to 1mg/mL, and fluorescein-5-isothiocyanate (FITC)-α- and β-CS MRPs NPs maintained the morphological characteristics of living cells. These results showed that α- and β-CS MRPs NPs can be used as water-soluble antioxidant substances for applications in food and other fields. Copyright © 2016. Published by Elsevier B.V.

  12. A compilation of information on the {sup 31}P(p,{alpha}){sup 28}Si reaction and properties of excited levels in the compound nucleus {sup 32}S

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.E.; Smith, D.L. [Argonne National Lab., IL (United States). Technology Development Div.

    1997-11-01

    This report documents a survey of the literature, and provides a compilation of data contained therein, for the {sup 31}P(p,{alpha}){sup 28}Si reaction. Attention is paid here to resonance states in the compound-nuclear system {sup 32}S formed by {sup 31}P + p, with emphasis on the alpha-particle decay channels, {sup 28}Si + {alpha} which populate specific levels in {sup 28}Si. The energy region near the proton separation energy for {sup 32}S is especially important in this context for applications in nuclear astrophysics. Properties of the excited states in {sup 28}Si are also considered. Summaries of all the located references are provided and numerical data contained in them are compiled in EXFOR format where applicable.

  13. Standardization of a two-step real-time polymerase chain reaction based method for species-specific detection of medically important Aspergillus species.

    Science.gov (United States)

    Das, P; Pandey, P; Harishankar, A; Chandy, M; Bhattacharya, S; Chakrabarti, A

    2017-01-01

    Standardization of Aspergillus polymerase chain reaction (PCR) poses two technical challenges (a) standardization of DNA extraction, (b) optimization of PCR against various medically important Aspergillus species. Many cases of aspergillosis go undiagnosed because of relative insensitivity of conventional diagnostic methods such as microscopy, culture or antigen detection. The present study is an attempt to standardize real-time PCR assay for rapid sensitive and specific detection of Aspergillus DNA in EDTA whole blood. Three nucleic acid extraction protocols were compared and a two-step real-time PCR assay was developed and validated following the recommendations of the European Aspergillus PCR Initiative in our setup. In the first PCR step (pan-Aspergillus PCR), the target was 28S rDNA gene, whereas in the second step, species specific PCR the targets were beta-tubulin (for Aspergillus fumigatus, Aspergillus flavus, Aspergillus terreus), gene and calmodulin gene (for Aspergillus niger). Species specific identification of four medically important Aspergillus species, namely, A. fumigatus, A. flavus, A. niger and A. terreus were achieved by this PCR. Specificity of the PCR was tested against 34 different DNA source including bacteria, virus, yeast, other Aspergillus sp., other fungal species and for human DNA and had no false-positive reactions. The analytical sensitivity of the PCR was found to be 102 CFU/ml. The present protocol of two-step real-time PCR assays for genus- and species-specific identification for commonly isolated species in whole blood for diagnosis of invasive Aspergillus infections offers a rapid, sensitive and specific assay option and requires clinical validation at multiple centers.

  14. The contribution of nature to people: Applying concepts of values and properties to rate the management importance of natural elements.

    Science.gov (United States)

    Smith, Michael J; Wagner, Christian; Wallace, Ken J; Pourabdollah, Amir; Lewis, Loretta

    2016-06-15

    An important, and yet unresolved question in natural resource management is how best to manage natural elements and their associated values to ensure human wellbeing. Specifically, there is a lack of measurement tools to assess the contribution of nature to people. We present one approach to overcome this global issue and show that the preferred state of any system element, in terms of realising human values, is a function of element properties. Consequently, natural resource managers need to understand the nature of the relationships between element properties and values if they are to successfully manage for human wellbeing. In two case studies of applied planning, we demonstrate how to identify key element properties, quantify their relationships to priority human values, and combine this information to model the contribution of elements to human wellbeing. In one of the two case studies we also compared the modelling outputs with directly elicited stakeholder opinions regarding the importance of the elements for realising the given priority values. The two, largely congruent outputs provide additional support for the approach. The study shows that rating sets of elements on their relative overall value for human wellbeing, or utility, provides critical information for subsequent management decisions and a basis for productive new research. We consider that the described approach is broadly applicable within the domain of natural resource management. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  15. Dielectric properties, impedance analysis and modulus behavior of CaTiO{sub 3} ceramic prepared by solid state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Wong, Y.J., E-mail: yjeng_86@hotmail.com [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Hassan, J., E-mail: jumiah@science.upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Hashim, M., E-mail: mansor@science.upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia)

    2013-09-15

    Highlights: •A single phase orthorhombic CaTiO{sub 3} structure with sub-micron grains is produced. •The frequency exponent ‘s’ is temperature dependent and explained by CBH model. •The dielectric constant and loss tangent are frequency and temperature dependent. •The modulus plot reveals the presence of thermally activated dielectric relaxation. •Cole-cole plot reveals two primary relaxation processes exist in the sample. -- Abstract: Calcium titanate (CaTiO{sub 3}) with the general formula for perovskites, ABO{sub 3}, is of technological importance, particularly with regard to dielectric properties. In this work, CaTiO{sub 3} ceramic material was prepared by the conventional solid state reaction method. The dielectric properties, impedance characteristics and modulus behavior of the CaTiO{sub 3} ceramic material sintered at 1240 °C were investigated in the frequency range of 10{sup −2}–10{sup 6} Hz and temperature range of 100–250 °C. The XRD analysis of the sintered CaTiO{sub 3} shows that it is an orthorhombic structure with lattice parameters a = 5.4398 Å, b = 7.6417 Å, and c = 5.3830 Å. The FESEM micrograph shows a significant difference in grain size distribution ranging from 0.26 to 2.32 μm. The AC conductivity, σ{sub AC}, is found to increase with increasing temperature within the frequency range of 10{sup −2}–10{sup 6} Hz confirming the hopping of electrons to be the conduction mechanism. Due to the decreasing values of the frequency exponent s with increasing temperature, the results of the σ{sub AC} are discussed using the correlated barrier height (CBH) model. For dielectric studies, the dielectric constant, ε′ is found to decrease with increasing frequency. In the whole temperature range of 100–250 °C, high and low frequency plateau are observed. Each converges at high frequency (>10{sup 5} Hz) for all the temperatures. The frequency dependence of loss tangent, tan δ, decreases with rise in temperature, with the

  16. High temperature magnetic properties of Co(FeY){sub 2}O{sub 4} synthesized by combustion reaction

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Thiago Eduardo Pereira, E-mail: thiago.ifgo@gmail.com [Instituto Federal de Educacao, Ciencia e Tecnologia de Goias (IFGO), Goiania (Brazil); Franco Junior, Adolfo [Universidade Federal de Goias (UFG), Goiania (Brazil)

    2016-07-01

    Full text: Cobalt ferrite is widely studied due to its interesting magnetic behavior at room temperature. However, many technical applications require temperatures that are above that. Thus, it is necessary to understand how some magnetic properties, such as saturation magnetization (Ms), remanent magnetization (Mr), and coercivity (Hc), may behave at high temperatures [1]. Among several methods to synthesize cobalt ferrites, combustion reaction method is intensively used because it is inexpensive, fast and has good control on the stoichiometry. This method is based on the chemistry of propellants and explosives [2]. Therefore, we have prepared a series of nanoparticles of CoFe{sub (2-x)}Y{sub x}O{sub 4}, with x ranging from 0.00 to 0.04, by combustion reaction method. The crystal structure and morphology were characterized by X-ray diffraction (XRD) using Rietveld refinement and transmission electron microscopy (TEM), respectively. Nanocrystalline particles structures in the typical phase of spinel were observed on diffractograms. Micrographies showed high crystalline powders for the particles and particles size within nanoscale range. The magnetic properties were measured by vibrating sample magnetometry (VSM) in broad range of temperature (300-850K). Saturation magnetization (Ms) decreases with Y doping increase, while Hc increases, being about 1.8 higher than the undoped sample. Furthermore, Curie temperature increases with Y doping increase. These magnetic properties were discussed in terms of the particle interactions induced by the thermal fluctuations, cation distribution, and ions exchange between yttrium and cobalt atoms in A-B sites in the cubic structure [3]. References: [1] A. Franco, Jr. and F. C. e Silva, Applied Physics Letters 96, 172505, (2010). 525 [2] S.R. Jain, et al, Combustion and flame 40, 71-79, (1981). [3] A. Franco Jr. et al. Journal of Alloys and Compounds 680, 198-205, (2016). (author)

  17. Inducer expulsion in Streptococcus pyogenes: properties and mechanism of the efflux reaction

    International Nuclear Information System (INIS)

    Sutrina, S.L.; Reizer, J.; Saier, M.H Jr.

    1988-01-01

    Expulsion of preaccumulated methyl-β-D-thiogalactoside-phosphate (TMG-P) from Streptococcus pyogenes is a two-step process comprising intracellular dephosphorylation of TMG-P followed by rapid efflux of the intracellularly formed free galactoside. The present study identifies the mechanism and the order and characterizes the temperature dependency of the efflux step. Unidirectional efflux of the intracellularly formed [ 14 C]TMG was only slightly affected when measured in the presence of unlabeled TMG (25 to 400 mM) in the extracellular medium. In contrast, pronounced inhibition of net efflux was observed in the presence of relatively low concentrations (1 to 16 mM) of extracellular [ 14 C]TMG. Since net efflux was nearly arrested when the external concentration of [ 14 C]TMG approached the intracellular concentration of this sugar, we propose that a facilitated diffusion mechanism is responsible for efflux and equilibration of TMG between the intracellular and extracellular milieus. The exit reaction was markedly dependent upon temperature, exhibited a high energy of activation (23 kcal [ca. 96 kJ] per mol), and followed first-order kinetics, indicating that the permease mediating this efflux was not saturated under the conditions of expulsion employed

  18. The effects of baseball bat mass properties on swing mechanics, ground reaction forces, and swing timing.

    Science.gov (United States)

    Laughlin, Walter A; Fleisig, Glenn S; Aune, Kyle T; Diffendaffer, Alek Z

    2016-01-01

    Swing trajectory and ground reaction forces (GRF) of 30 collegiate baseball batters hitting a pitched ball were compared between a standard bat, a bat with extra weight about its barrel, and a bat with extra weight in its handle. It was hypothesised that when compared to a standard bat, only a handle-weighted bat would produce equivalent bat kinematics. It was also hypothesised that hitters would not produce equivalent GRFs for each weighted bat, but would maintain equivalent timing when compared to a standard bat. Data were collected utilising a 500 Hz motion capture system and 1,000 Hz force plate system. Data between bats were considered equivalent when the 95% confidence interval of the difference was contained entirely within ±5% of the standard bat mean value. The handle-weighted bat had equivalent kinematics, whereas the barrel-weighted bat did not. Both weighted bats had equivalent peak GRF variables. Neither weighted bat maintained equivalence in the timing of bat kinematics and some peak GRFs. The ability to maintain swing kinematics with a handle-weighted bat may have implications for swing training and warm-up. However, altered timings of kinematics and kinetics require further research to understand the implications on returning to a conventionally weighted bat.

  19. Properties of 112Cd from the (n,n'γ) reaction: Levels and level densities

    International Nuclear Information System (INIS)

    Garrett, P. E.; Lehmann, H.; Jolie, J.; McGrath, C. A.; Yeh, Minfang; Younes, W.; Yates, S. W.

    2001-01-01

    Levels in 112 Cd have been studied through the (n,n'γ) reaction with monoenergetic neutrons. An extended set of experiments that included excitation functions, γ-ray angular distributions, and γγ coincidence measurements was performed. A total of 375 γ rays were placed in a level scheme comprising 200 levels (of which 238 γ-ray assignments and 58 levels are newly established) up to 4 MeV in excitation. No evidence to support the existence of 47 levels as suggested in previous studies was found, and these have been removed from the level scheme. From the results, a comparison of the level density is made with the constant temperature and back-shifted Fermi gas models. The back-shifted Fermi gas model with the Gilbert-Cameron spin cutoff parameter provided the best overall fit. Without using the neutron resonance information and only fitting the cumulative number of low-lying levels, the level density parameters extracted are a sensitive function of the maximum energy used in the fit

  20. Effect of castor oil enrichment layer produced by reaction on the properties of PLA/HDI-g-starch blends.

    Science.gov (United States)

    Xiong, Zhu; Zhang, Lisheng; Ma, Songqi; Yang, Yong; Zhang, Chuanzhi; Tang, Zhaobin; Zhu, Jin

    2013-04-15

    Blends of entirely bio-sourced polymers, namely polylactide (PLA) and starch, have been melt-compounded by lab-scale co-extruder with castor oil (CO) as a plasticizer. The enrichment of castor oil on starch had great effect on the properties of the blends. If the castor oil was mainly dispersed in PLA matrix, the properties of the blends were poor, but when the hexamethylenediisocyanate (HDI) was grafted on starch granules the ready reactions between the hydroxyl on CO and the isocyante on the HDI-grafted starch (HGSTs) brought CO molecules enriched on starch particles. DSC analysis shows that the CO layer on starch has a positive effect on the crystallization of PLA in the ternary blend. The accumulation of CO on starch greatly improves the toughness and impact strength of PLA/starch blends. The grafting content of HDI on the starch granules primarily determined the compatibility and properties of the resulted blends. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Improved physicochemical properties and hepatic protection of Maillard reaction products derived from fish protein hydrolysates and ribose.

    Science.gov (United States)

    Yang, Sung-Yong; Lee, Sanghoon; Pyo, Min Cheol; Jeon, Hyeonjin; Kim, Yoonsook; Lee, Kwang-Won

    2017-04-15

    High amounts of waste products generated from fish-processing need to be disposed of despite their potential nutritional value. A variety of methods, such as enzymatic hydrolysis, have been developed for these byproducts. In the current study, we investigated the physicochemical, biological and antioxidative properties of fish protein hydrolysates (FPH) conjugated with ribose through the Maillard reaction. These glycated conjugates of FPH (GFPH) had more viscous rheological properties than FPH and exhibited higher heat, emulsification and foaming stability. They also protected liver HepG2 cells against t-BHP-induced oxidative stress with enhanced glutathione synthesis in vitro. Furthermore, it was shown that GFPH induced upregulation of phase II enzyme expression, such as that of HO-1 and γ-GCL, via nuclear translocation of Nrf2 and phosphorylation of ERK. Taken together, these results demonstrate the potential of GFPH for use as a functional food ingredient with improved rheological and antioxidative properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Multifunctional Hydrogel with Good Structure Integrity, Self-Healing, and Tissue-Adhesive Property Formed by Combining Diels-Alder Click Reaction and Acylhydrazone Bond.

    Science.gov (United States)

    Yu, Feng; Cao, Xiaodong; Du, Jie; Wang, Gang; Chen, Xiaofeng

    2015-11-04

    Hydrogel, as a good cartilage tissue-engineered scaffold, not only has to possess robust mechanical property but also has to have an intrinsic self-healing property to integrate itself or the surrounding host cartilage. In this work a double cross-linked network (DN) was designed and prepared by combining Diels-Alder click reaction and acylhydrazone bond. The DA reaction maintained the hydrogel's structural integrity and mechanical strength in physiological environment, while the dynamic covalent acylhydrazone bond resulted in hydrogel's self-healing property and controlled the on-off switch of network cross-link density. At the same time, the aldehyde groups contained in hydrogel further promote good integration of the hydrogel to surrounding tissue based on aldehyde-amine Schiff-base reaction. This kind of hydrogel has good structural integrity, autonomous self-healing, and tissue-adhesive property and simultaneously will have a good application in tissue engineering and tissue repair field.

  3. Improvements and important considerations for the 5-choice serial reaction time task-An effective measurement of visual attention in rats.

    Science.gov (United States)

    Bhandari, Jayant; Daya, Ritesh; Mishra, Ram K

    2016-09-01

    The 5-choice serial reaction time task (5-CSRTT) is an automated operant conditioning task that measures rodent attention. The task allows the measurement of several parameters such as response accuracy, speed of processing, motivation, and impulsivity. The task has been widely used to investigate attentional processes in rodents for attention deficit and hyperactivity disorder and has expanded to other illnesses such as Alzheimer's disease, depression, and schizophrenia. The 5-CSRTT is accompanied with two significant caveats: a time intensive training period and largely varied individual rat capability to learn and perform the task. Here we provide a regimented acquisition protocol to enhance training for the 5-CSRTT and discuss important considerations for researchers using the 5-CSRTT. We offer guidelines to ensure that inferences on performance in the 5-CSRTT are in fact a result of experimental manipulation rather than training differences, or individual animal capability. According to our findings only rats that have been trained successfully within a limited time frame should be used for the remainder of the study. Currently the 5-CSRTT employs a training period of variable duration and procedure, and its inferences on attention must overcome heterogeneous innate animal differences. The 5-CSRTT offers valuable and valid insights on various rodent attentional processes and their translation to the underpinnings of illnesses such as schizophrenia. The recommendations made here provide important criteria to ensure inferences made from this task are in fact relevant to the attentional processes being measured. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Preparation of Nb3Ge films by chemical transport reaction and their critical properties

    International Nuclear Information System (INIS)

    Oya, G.; Saur, E.J.

    1979-01-01

    Niobium-germanium films have been deposited on sapphire substrates at 900 0 C by a chemical transport reaction method. The highest superconducting transition onset temperature T/sub C,on/ of 22.4K is observed for a nearly stoichiometric Nb 3 Ge film with the A15-type structure (thickness approx.93.5 μm). Lattice constants for the Nb 3 Ge phase formed in the Nb-Ge films with both T/sub C,on/ above 22 K and T/sub C,midpoint/ above 21 K are found to extend from 5.143 to 5.153 A. Deposition rates for the obtained films are in the range of 2-10 μm/min. Critical current densities for the Nb 3 Ge film with the highest T/sub C,on/ value are observed to be relatively low (approx.10 3 A/cm 2 at 19 K at self-field). This is due to the coarse grain structure of the film or the low density of effectual pinning centers in the film. Field variations of the pinning forces operating in this film in magnetic fields both parallel to the film surface and perpendicular to the film surface are found to follow closely b/sup 1/2/ (1-b) 2 , to which the pinning force for flux pinning at the surface of normal regions, such as grain boundaries, film surfaces, etc., is proportional, and where b is the reduced magnetic induction (B/B/sub C2/). A small increase in J/sub C/ at low fields is caused by the presence of a small amount of the Nb 5 Ge 3 phase in a Nb 3 Ge film, and seems attributable to additional flux pinning on Nb 5 Ge 3 -phase particles in the film

  5. Synthesis of Aluminum-Aluminum Nitride Nanocomposites by a Gas-Liquid Reaction II. Microstructure and Mechanical Properties

    Science.gov (United States)

    Borgonovo, Cecilia; Makhlouf, Makhlouf M.

    2016-04-01

    In situ fabrication of the reinforcing particles in the metal matrix is an answer to many of the challenges encountered in manufacturing aluminum matrix nanocomposites. In this method, the nanoparticles are formed directly within the melt by means of a chemical reaction between a specially designed aluminum alloy and a gas. In this publication, we describe a process for synthesizing aluminum-aluminum nitride nanocomposites by reacting a nitrogen-containing gas with a molten aluminum-lithium alloy. We quantify the effect of the process parameters on the average particle size and particle distribution, as well as on the tendency of the particles to cluster in the alloy matrix, is quantified. Also in this publication, we present the measured room temperature and elevated temperature tensile properties of the nanocomposite material as well as its measured room temperature impact toughness.

  6. Effect of Gd{sup 3+} doping and reaction temperature on structural and optical properties of CdS nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Gajanan, E-mail: pandeygajanan@rediffmail.com [Department of Applied Chemistry, Babasaheb Bhimrao Ambedkar University, Lucknow, 226025, (U.P.) (India); Dixit, Supriya; Shrivastava, A.K. [School of Studies in Physics, Jiwaji University, Gwalior, 474011, (M.P.) (India)

    2015-10-15

    Graphical abstract: - Highlights: • Cd{sub 1−x}Gd{sub x}S nanoparticles have been prepared in aqueous medium in presence of CTAB. • From XRD, EDX and ICP-OES study, successful doping of Gd{sup 3+} in CdS has been proved. • Gd{sup 3+} doping reduced size of NCs, while temperature increased size and altered shape. • Gd{sup 3+} doping and reaction temperature influenced the optical properties of NCs. - Abstract: CdS and Gd{sup 3+} ions doped CdS nanoparticles have been prepared at two reaction temperatures 90 and 120 °C in aqueous medium in presence of cationic surfactant cetyltrimethylammonium bromide. X-ray diffraction study revealed predominant formation of zinc blend CdS and Gd:CdS at 90 °C, while at 120 °C, phase pure wurtzite CdS and Gd:CdS were formed. From EDX spectra and ICP-OES analysis, successful doping of Gd{sup 3+} ions in CdS host has been proved. Fourier transform infrared spectroscopy results show the interaction of CTAB through headgroup at the nanoparticles surface. In the transmission electron microscopy images, it has been observed that the reaction temperature and Gd{sup 3+} doping played critical role on size and shape of nanocrystals. In UV–visible absorption as well as photoluminescence emission spectra, size and shape-dependent quantum confinement effect has been observed. On Gd{sup 3+} doping, surface states related emission peak shifted to higher wavelength, while intensity of peaks increased on increasing temperature.

  7. Influence of Mg O and B2O3 addition on reaction sintering, properties and microstructure of Aluminum titanate

    International Nuclear Information System (INIS)

    Ajami, R.; Sarpoolaki, H.; Akbari, G. H.

    2007-01-01

    The effect of Mg O and B 2 O 3 on the formation, physical properties, phase analysis and microstructure of aluminum titanate was investigated. Density results showed the sample containing of 1 wt percent B 2 O 3 and 2 wt percent Mg O leads to the highest density while the lowest density was seen in samples containing 1 wt percent B 2 O 3 compared to pure aluminum titanate. Regarding the phase analysis of samples, Mg O was found most effective additive on reaction sintering of aluminum titanate through the intermediate phases. Furthermore at the temperatures above 1350 d eg C , B 2 O 3 promote the formation reaction of aluminum titanate. Microstructural analysis showed the samples containing Mg O are fine grain and homogeneous. Thermal expansion coefficient of samples with additives is greater than pure aluminum titanate. Pure aluminum titanate samples and one containing B 2 O 3 additive decompose to Al 2 O 3 and TiO 2 after 5 hours heat treatment at 1150 d eg C while the samples containing 2 wt percent Mg O was stable even after 25 hours

  8. Grafting methyl acrylic onto carbon fiber via Diels-Alder reaction for excellent mechanical and tribological properties of phenolic composites

    Science.gov (United States)

    Fei, Jie; Duan, Xiao; Luo, Lan; Zhang, Chao; Qi, Ying; Li, Hejun; Feng, Yongqiang; Huang, Jianfeng

    2018-03-01

    Carbon fibers (CFs) were grafted with methyl acrylic via Diels-Alder reaction at the different oil bath temperature effectively creating a carboxyl functionalized surface. The effect of grafting temperature on the surface morphology and functional groups of carbon fibers were investigated by FTIR, Raman spectroscopy, XPS and SEM respectively. The results showed that the optimal grafting temperature was 80 °C, and the relative surface coverage by carboxylic acid groups increased from an initial 5.16% up to 19.30% significantly improved the chemical activity without damaging the skin and core region of the carbon fibers. Mechanical property tests indicated that the shear and tensile strength of the sample with the grafting temperature of 80 °C (CFRP-3) increased obviously by 90.3% and 78.7%, respectively, compared with the pristine carbon fibers reinforced composite. Further, the sample CFRP-3 exhibited higher and more stable friction coefficient and improved wear resistance, while the wear rate decreased 52.7%, from 10.8 × 10-6 to 5.1 × 10-6 mm3/N m. The present work shows that grafting methyl acrylic via Diels-Alder reaction could be a highly efficient and facile method to functionalize carbon fibers for advanced composites.

  9. Oxidation effects on the mechanical properties of SiC fiber-reinforced reaction-bonded silicon nitride matrix composites

    Science.gov (United States)

    Bhatt, Ramakrishna T.

    1989-01-01

    The room temperature mechanical properties of SiC fiber reinforced reaction bonded silicon nitride composites were measured after 100 hrs exposure at temperatures to 1400 C in nitrogen and oxygen environments. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers in a reaction bonded Si3N4 matrix. The results indicate that composites heat treated in a nitrogen environment at temperatures to 1400 C showed deformation and fracture behavior equivalent to that of the as-fabricated composites. Also, the composites heat treated in an oxidizing environment beyond 400 C yielded significantly lower tensile strength values. Specifically in the temperature range from 600 to 1000 C, composites retained approx. 40 percent of their as-fabricated strength, and those heat treated in the temperatures from 1200 to 1400 C retained 70 percent. Nonetheless, for all oxygen heat treatment conditions, composite specimens displayed strain capability beyond the matrix fracture stress; a typical behavior of a tough composite.

  10. Characterization and emulsifying properties of β-lactoglobulin-gum Acacia Seyal conjugates prepared via the Maillard reaction.

    Science.gov (United States)

    Bi, Binwei; Yang, Hao; Fang, Yapeng; Nishinari, Katsuyoshi; Phillips, Glyn O

    2017-01-01

    Gum Acacia Seyal (ASY) is less valued than is gum Acacia Senegal, due to its poor emulsifying ability. The present study investigated the Maillard reaction between ASY and β-lactoglobulin (BLG) and its impact on the emulsifying properties of ASY. The reaction products of BLG/ASY mixture (r=1/4), prepared by dry-heating at 60°C and a relative humidity of 79%, as a function of incubation time, were characterized by SDS-PAGE, GPC-MALLS and DSC. The results showed that 12-24h of dry-heating under the given conditions was sufficient for conjugation, meanwhile avoiding the formation of deeply coloured and insoluble melanoidins. More than 64% of the protein was incorporated into ASY, resulting in a two-fold increase in arabinogalactan-protein (AGP) content and 3.5 times increase in weight-average molecular mass of ASY. The conjugation with BLG markedly improved the stability of ASY-stabilized emulsions and their resistance against severe conditions, such as low pH and high saline conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Morphology-Dependent Properties of Cu/CeO2 Catalysts for the Water-Gas Shift Reaction

    Directory of Open Access Journals (Sweden)

    Zhibo Ren

    2017-02-01

    Full Text Available CeO2 nanooctahedrons, nanorods, and nanocubes were prepared by the hydrothermal method and were then used as supports of Cu-based catalysts for the water-gas shift (WGS reaction. The chemical and physical properties of these catalysts were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, N2 adsorption/desorption, UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS, hydrogen temperature-programmed reduction (H2-TPR and in situ diffuse reflectance infra-red fourier transform spectroscopy (DRIFTS techniques. Characterization results indicate that the morphology of the CeO2 supports, originating from the selective exposure of different crystal planes, has a distinct impact on the dispersion of Cu and the catalytic properties. The nanooctahedron CeO2 catalyst (Cu-CeO2-O showed the best dispersion of Cu, the largest amount of moderate copper oxide, and the strongest Cu-support interaction. Consequently, the Cu-CeO2-O catalyst exhibited the highest CO conversion at the temperature range of 150–250 °C when compared with the nanocube and nanorod Cu-CeO2 catalysts. The optimized Cu content of the Cu-CeO2-O catalysts is 10 wt % and the CO conversion reaches 91.3% at 300 °C. A distinctive profile assigned to the evolution of different types of carbonate species was observed in the 1000–1800 cm−1 region of the in situ DRIFTS spectra and a particular type of carbonate species was identified as a potential key reaction intermediate at low temperature.

  12. Cyclization Reaction of Acyl Thiourea Chitosan: Enhanced Antifungal Properties via Structural Optimization.

    Science.gov (United States)

    Qin, Yukun; Liu, Weixiang; Xing, Ronge; Liu, Song; Li, Kecheng; Li, Pengcheng

    2018-03-06

    In this study, 3-methyl-1,2,4-triazolyl chitosan (MTACS) and 3-chloromethyl-1,2,4-triazolyl chitosan (CMTACS) were prepared via cyclization of acyl thiourea chitosan (TUCS). Their structures were confirmed by FT-IR, ¹H-NMR, elemental analysis, DSC, XRD, and SEM. The conformations were predicted using the Gaussian 09 program. Additionally, the antifungal properties of MTACS and CMTACS against Stemphylium solani weber ( S. solani ), Alternaria porri ( A. porri ), and Gloeosporium theae-sinensis ( G. theae-sinensis ) were assayed in vitro and ranged from 250 μg/mL to 1000 μg/mL. The results showed that MTACS and CMTACS exhibited enhanced inhibitory effect on the selected fungi compared to the original chitosan and TUCS. In particular, they displayed better antifungal activities against A. porri and G. theae-sinensis than that of the positive control, Triadimefon. The findings described here may lead to them being used as antifungal agents for crop protection.

  13. Cyclization Reaction of Acyl Thiourea Chitosan: Enhanced Antifungal Properties via Structural Optimization

    Directory of Open Access Journals (Sweden)

    Yukun Qin

    2018-03-01

    Full Text Available In this study, 3-methyl-1,2,4-triazolyl chitosan (MTACS and 3-chloromethyl-1,2,4-triazolyl chitosan (CMTACS were prepared via cyclization of acyl thiourea chitosan (TUCS. Their structures were confirmed by FT-IR, 1H-NMR, elemental analysis, DSC, XRD, and SEM. The conformations were predicted using the Gaussian 09 program. Additionally, the antifungal properties of MTACS and CMTACS against Stemphylium solani weber (S. solani, Alternaria porri (A. porri, and Gloeosporium theae-sinensis (G. theae-sinensis were assayed in vitro and ranged from 250 μg/mL to 1000 μg/mL. The results showed that MTACS and CMTACS exhibited enhanced inhibitory effect on the selected fungi compared to the original chitosan and TUCS. In particular, they displayed better antifungal activities against A. porri and G. theae-sinensis than that of the positive control, Triadimefon. The findings described here may lead to them being used as antifungal agents for crop protection.

  14. Correlation of Growth and Surface Properties of Poly(\\(p\\-xylylenes to  Reaction Conditions

    Directory of Open Access Journals (Sweden)

    Andreas Reichel

    2015-05-01

    Full Text Available Parylene, a non-critical, non-toxic layer material, which is not only a candidate for low-\\(K\\ dielectrics, but also well suited for long-term applications in the human body, has been deposited by (plasma-enhanced chemical vapor deposition of the monomeric species. To that end, a specially-designed reactor exhibiting a cracker tube at its entrance, which serves as the upstream control, and a cooling trap in front of the downstream control has been applied. The process of polymerization has been traced and is explained by evaporating the dimeric species followed by dissociation in the cracker at elevated temperatures and, eventually, to the coating of the polymeric film in terms of thermodynamics. Alternatively, the process of dissociation has been accomplished applying a microwave plasma. In both cases, the monomerization is controlled by mass spectrometry. The window for surface polymerization could be clearly defined in terms of a factor of dilution by an inert gas for the chemical vapor deposition (CVD case and in the case of plasma-enhanced chemical vapor deposition (PECVD, additionally by the power density. The characterization of the layer parameters has been carried out by several analytical tools: scanning electron microscopy and atomic force microscopy to determine the surface roughness and density and depth of voids in the film, which influence the layer capacitance and deteriorate the breakdown voltage, a bulk property. The main issue is the conduct against liquids between the two borders' hydrophilic and hydrophobic conduct, but also the super-hydrophobic character, which is the condition for the Lotus effect. The surface tension has been evaluated by contact angle measurements. Fourier-transform infrared spectroscopy has proven the conservation of all of the functional groups during polymerization.

  15. The relative importance of climate and vegetation properties on patterns of North American breeding bird species richness

    International Nuclear Information System (INIS)

    Goetz, Scott J; Sun, Mindy; Zolkos, Scott; Hansen, Andy; Dubayah, Ralph

    2014-01-01

    Recent advances in remote sensing and ecological modeling warrant a timely and robust investigation of the ecological variables that underlie large-scale patterns of breeding bird species richness, particularly in the context of intensifying land use and climate change. Our objective was to address this need using an array of bioclimatic and remotely sensed data sets representing vegetation properties and structure, and other aspects of the physical environment. We first build models of bird species richness across breeding bird survey (BBS) routes, and then spatially predict richness across the coterminous US at moderately high spatial resolution (1 km). Predictor variables were derived from various sources and maps of species richness were generated for four groups (guilds) of birds with different breeding habitat affiliation (forest, grassland, open woodland, scrub/shrub), as well as all guilds combined. Predictions of forest bird distributions were strong (R 2 = 0.85), followed by grassland (0.76), scrub/shrub (0.63) and open woodland (0.60) species. Vegetation properties were generally the strongest determinants of species richness, whereas bioclimatic and lidar-derived vertical structure metrics were of variable importance and dependent upon the guild type. Environmental variables (climate and the physical environment) were also frequently selected predictors, but canopy structure variables were not as important as expected based on more local to regional scale studies. Relatively sparse sampling of canopy structure metrics from the satellite lidar sensor may have reduced their importance relative to other predictor variables across the study domain. We discuss these results in the context of the ecological drivers of species richness patterns, the spatial scale of bird diversity analyses, and the potential of next generation space-borne lidar systems relevant to vegetation and ecosystem studies. This study strengthens current understanding of bird species

  16. Densification and mechanical properties of ZrO2-CaAl4O7 composites obtained by reaction sintering

    International Nuclear Information System (INIS)

    Bruni, Yesica; Aglietti, Esteban

    2016-01-01

    Composites of the ZrO 2 -CaO-Al 2 O 3 system exhibit high corrosion resistance and high chemical stability, these being suitable properties for enhanced performance as refractories. In this work composites based on ZrO 2 -CaAl 4 O 7 (CA 2 ) were developed by reaction sintering of two pure ZrO 2 powders with different particle size (d 50 = 0.44 μm and d 50 = 8 μm) mixed with high-alumina cement. The effects of CaO to ZrO 2 molar ratio, particle size of ZrO 2 and sintering temperature on densification, c-ZrO 2 formation, microstructure and mechanical properties (Vickers hardness, dynamic Young's modulus and compressive strength) were determined. Porosity and mean pore size of composites reduced with decreasing both particle size of ZrO 2 and CaO content. The highest compression strength of ∝350 MPa and hardness of 6 GPa corresponded to dense ZrO 2 -based composite with 15 vol.% CA 2 sintered at 1400 C.

  17. Preparation of CdS nanoparticels with spin-coating assisted successive ionic layer reaction and their photoelectrochemical properties

    Directory of Open Access Journals (Sweden)

    Bao SUN

    2017-10-01

    Full Text Available In order to settle the problems in the traditional SILAR method for CdS deposition, such as smaller particles and being difficult to enhance the sensitive layers, an improved spin-coating assisted successive ionic layer reaction method (S-SILR substituted for the traditional SILAR method is used to deposit the CdS nanocrystals. The comparison between the improved and traditional methods is studied after depositing the CdS nanocrystals onto the ZnO nanorod arrays with the two approaches. Different analysis methods, SEM, XRD, UV-vis and the transit photocurrent measurement are conducted to characterize the morphologies and structures of the samples, as well as investigating the light absorption properties, and the photoelectric conversion performance of the electrodes. The results indicate that the CdS nanocrystals photosensitive layers could be totally coated onto the ZnO nanorod arrays more easily by the improved S-SILR method; the light absorption properties and the photoelectric conversion performance of the electrodes prepared by the improved S-SILR method are more excellent compared with those electrodes prepared by the traditional SILAR method. The improvement of the CdS deposition method has certain guiding significance in enhancing the operability of the preparation technology and the photovoltaic performance of the solar cells.

  18. An ICR study of ion-molecule reactions of PH(n)+ ions. [of importance to interstellar chemistry, using ion cyclotron resonance techniques

    Science.gov (United States)

    Thorne, L. R.; Anicich, V. G.; Huntress, W. T.

    1983-01-01

    The reactions of PH(n)+ ions (n = 0-3) were examined with a number of neutrals using ion-cyclotron-resonance techniques. The reactions examined have significance for the distribution of phosphorus in interstellar molecules. The results indicate that interstellar molecules containing the P-O bond are likely to be more abundant than those containing the P-H bond.

  19. Willingness to Use Microbicides Is Affected by the Importance of Product Characteristics, Use Parameters, and Protective Properties

    Science.gov (United States)

    Morrow, Kathleen M.; Fava, Joseph L.; Rosen, Rochelle K.; Vargas, Sara; Barroso, Candelaria; Christensen, Anna L.; Woodsong, Cynthia; Severy, Lawrence

    2008-01-01

    Background Along with efficacy, a microbicide’s acceptability will be integral to its impact on the pandemic. Understanding Product Characteristics that users find most acceptable and determining who will use which type of product are key to optimizing use effectiveness. Objectives To evaluate psychometrically the Important Microbicide Characteristics (IMC) instrument and examine its relationship to willingness to use microbicides. Results Exploratory and confirmatory factor analyses revealed 2 IMC subscales (Cronbach’s coefficient α: Product Characteristics subscale (α = 0.84) and Protective Properties subscale (α = 0.89)). Significant differences on Product Characteristics subscale scores were found for history of douching (P = 0.002) and employment status (P = 0.001). Whether a woman used a method to prevent pregnancy or sexually transmitted disease (STD) in the last 3 months (P IMC instrument serves as a template for future studies of candidate microbicides. PMID:17325607

  20. In vitro antioxidant and cytoprotective properties of Maillard reaction products from phloridzin-amino acid model systems.

    Science.gov (United States)

    Han, Linna; Li, Feng; Yu, Qijian; Li, Dapeng

    2018-01-01

    The aim of this study was to investigate in vitro antioxidant activities and cytoprotective effect of Maillard reaction products (MRPs) from phloridzin (Pz)-amino acid model systems. Their structures were also characterised by Fourier transform-infrared spectroscopy (FTIR). MRPs were prepared from the Pz-methionine (Met), Pz-lysine (Lys), Pz-isoleucine (Ile), Pz-histidine (His) or Pz-glutamic acid (Glu) model system. The Pz-Lys MRPs, rich in antioxidant potency, were subjected to ultrafiltration to yield four MRPs fractions with different molecular weights (Mw). The fraction with Mw 30-50 kDa had significantly (P Maillard reaction. The results obtained in this study may provide some basis for the purported health-promoting effects of MRPs and their potential application as antioxidant agents in food industry. Also, it is important for our understanding of the variation of bioactive substances in food during thermal processing. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  1. Measurement of Effect of Chemical Reactions on the Hydrologic Properties of Fractured Glass Media Using a Tri-axial Flow and Transport Apparatus

    International Nuclear Information System (INIS)

    Saripalli, Prasad; Lindberg, Michael J.; Meyer, P. D.

    2006-01-01

    Understanding the effect of chemical reactions on the hydrologic properties of sub-surface media is critical to many natural and engineered sub-surface systems. Methods and information for such characterization of fractured media are severely lacking. Influence of glass corrosion (precipitation and dissolution) reactions on fractured glass blocks HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted in such randomly and multiply fractured ILAW glass blocks, before and after subjecting them to corrosion using Vapor Hydration Testing (VHT) at 200 C temperature and 200 psig (1379 KPa) pressure, causing the precipitation of alteration products. A tri-axial fractured media flow and transport experimental apparatus, which allows the simultaneous measurement of flow and transport properties and their anisotropy, has been designed and built for this purpose. Such apparatus for fractured media characterization are being reported in the literature only recently. Hydraulic properties of fractured blocks were measured in different orientations and along different cardinal directions, before and after glass corrosion reactions. Miscible displacement experiments using a non-reactive dye were also conducted, before and after glass corrosion reactions, to study the tracer transport behavior through such media. Initial efforts to analyze breakthrough curve (BTC) data using a 1D Advection Dispersion Equation (ADE) solution revealed that a different fractured media transport model may be necessary for such interpretation. It was found that glass reactions can have a significant influence on the hydrologic properties of fractured ILAW glass media. The methods and results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured geomedia in general and glass media in

  2. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

    KAUST Repository

    Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank; Cavallo, Luigi

    2017-01-01

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes

  3. A review of reaction rates and thermodynamic and transport properties for the 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

    Science.gov (United States)

    Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.

    1989-01-01

    Reaction rate coefficients and thermodynamic and transport properties are provided for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in such environments.

  4. EFFECT OF THE REACTION CONDITIONS OVER THE YIELD AND PROPERTIES OF METHYLCELLULOSE OBTAINED FROM PINUS RADIATA KRAFT BLEACHED CELLULOSE

    OpenAIRE

    TAPIA, C.; SAPAG-HAGAR, J.; ANDRADE, C.T.; HASSÓN, J.; VALENZUELA, F.; BASUALTO, C.

    2002-01-01

    Kraft bleached cellulose from Pinus radiata was submitted to methylation reactions in heterogeneous media. After activation with 29% (w/w) NaOH solution, methylation reactions were carried out both with dimethyl sulfate (DMS) and methyl iodide (MI). The effects of the pressing ratio, reaction time and type of methylation agent were studied. The better yields were obtained with dimethylsulphate and the pressing ratio and reaction time were not signficant over the yield. Methylcellulose (MC) of...

  5. Gas-Phase Functionalization of Macroscopic Carbon Nanotube Fiber Assemblies: Reaction Control, Electrochemical Properties, and Use for Flexible Supercapacitors.

    Science.gov (United States)

    Iglesias, Daniel; Senokos, Evgeny; Alemán, Belén; Cabana, Laura; Navío, Cristina; Marcilla, Rebeca; Prato, Maurizio; Vilatela, Juan J; Marchesan, Silvia

    2018-02-14

    The assembly of aligned carbon nanotubes (CNTs) into fibers (CNTFs) is a convenient approach to exploit and apply the unique physico-chemical properties of CNTs in many fields. CNT functionalization has been extensively used for its implementation into composites and devices. However, CNTF functionalization is still in its infancy because of the challenges associated with preservation of CNTF morphology. Here, we report a thorough study of the gas-phase functionalization of CNTF assemblies using ozone which was generated in situ from a UV source. In contrast with liquid-based oxidation methods, this gas-phase approach preserves CNTF morphology, while notably increasing its hydrophilicity. The functionalized material is thoroughly characterized by Raman spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and scanning electron microscopy. Its newly acquired hydrophilicity enables CNTF electrochemical characterization in aqueous media, which was not possible for the pristine material. Through comparison of electrochemical measurements in aqueous electrolytes and ionic liquids, we decouple the effects of functionalization on pseudocapacitive reactions and quantum capacitance. The functionalized CNTF assembly is successfully used as an active material and a current collector in all-solid supercapacitor flexible devices with an ionic liquid-based polymer electrolyte.

  6. The Nitrite-Scavenging Properties of Catechol, Resorcinol, and Hydroquinone: A Comparative Study on Their Nitration and Nitrosation Reactions.

    Science.gov (United States)

    Lu, Yunhao; Dong, Yanzuo; Li, Xueli; He, Qiang

    2016-10-14

    The nitration and nitrosation reactions of catechol, resorcinol, and hydroquinone (0.05 mmol/L) with sodium nitrite (0.05 mmol/L) at pH 3 and 37 °C were studied by using liquid chromatography and mass spectrometry (LC-MS) and atom charge analysis, which was aimed to provide chemical insight into the nitrite-scavenging behavior of polyphenols. The 3 benzenediols showed different mechanisms to scavenge nitrite due to their differences in hydroxyl position. Catechol was nitrated with 1 NO 2 group at the hydroxyl oxygen, and resorcinol was nitrosated with 2 NO groups at the C 2 and C 4 (or C 6 ) positions of the benzene ring. Hydroquinone could scavenge nitrite through both nitration and nitrosation mechanisms. The nitrated hydroquinone had 1 NO 2 group at the hydroxyl oxygen in the molecule, while the nitrosated 1 containing 2 NO groups at the benzene ring might have 3 structure probabilities. The results may provide a structure-activity understanding on the nitrite-scavenging property of polyphenols, so as to promote their application in the food industry for the removal of possibly toxic nitrites found in many vegetables and often in processed meat products. © 2016 Institute of Food Technologists®.

  7. Sub-2 nm SnO2 nanocrystals: A reduction/oxidation chemical reaction synthesis and optical properties

    International Nuclear Information System (INIS)

    Zhang Hui; Du Ning; Chen Bindi; Cui Tianfeng; Yang Deren

    2008-01-01

    A simple reduction/oxidation chemical solution approach at room temperature has been developed to synthesize ultrafine SnO 2 nanocrystals, in which NaBH 4 is used as a reducing agent instead of mineralizers such as sodium hydroxide, ammonia, and alcohol. The morphology, structure, and optical property of the ultrafine SnO 2 nanocrystals have been characterized by high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction (XRD), differential scanning calorimetry and thermogravimetric analysis (DSC-TGA), X-ray photoelectron spectroscopy (XPS) and UV-vis absorption spectroscopy. It is indicated that the uniform tetragonal ultrafine SnO 2 nanocrystals with the size below 2 nm have been fabricated at room temperature. The band gap of the ultrafine SnO 2 nanocrystals is about 4.1 eV, exhibiting 0.5 eV blue shift from that of the bulk SnO 2 (3.6 eV). Furthermore, the mechanism for the reduction/oxidation chemical reaction synthesis of the ultrafine SnO 2 nanocrystals has been preliminary presented

  8. Is Intellectual Property Theft? BI's Hidden Ideology...And Two Reactions [and] In Defense of the Bibliographic Process [and] In Defense of Instruction Librarians.

    Science.gov (United States)

    Duff, Alistair S.; And Others

    1995-01-01

    Discusses the "hidden" ideology in traditional bibliographic instruction's treatment of intellectual property rights and copyright laws, and suggests that protection of these rights constitutes a form of stealing thoughts and ideas that should belong to the public. Reactions from two librarians who defend the current bibliographic…

  9. Analysis of a Mathematical Model of Lithium-Sulfur Cells Part III: Electrochemical Reaction Kinetics, Transport Properties and Charging

    International Nuclear Information System (INIS)

    Ghaznavi, Mahmoudreza; Chen, P.

    2014-01-01

    Highlights: • The discharge behavior of Li-S cells in wide range of exchange current densities of electrochemical reactions is studied. • Among all reduction reactions, 1/2 S 8(l) +e − ⇌1/2 S 8 2− and 1/2 S 2 2− +e − ⇌2S 2− play the most important role in capacity performance. • Low diffusion increases the precipitation of polysulfides in separator which may block the anode surface. • Large solubility of Li 2 S is needed for the model to be able to simulate the charging process. - Abstract: Sensitivity analysis of a mathematical model of a lithium-sulfur (Li-S) battery was performed by investigating the response of the model to variation of the exchange current densities, diffusion coefficients, and cathode thickness over a wide range; the results of the analysis were used to explain the some aspects of the behavior of the system which may be seen in experiments. In particular, among all the exchange current densities, the exchange current density of the elemental sulfur reduction has the most significant effect on the discharge capacity of the cell. The variation of the diffusion coefficients was also analyzed, providing information on the non-uniformity of precipitants in the cell after discharge. An optimum cathode thickness was presented to gain the highest capacity of the cell. Finally, the simulation of charging was studied, showing that the model needs a large solubility product of di-lithium sulfide to be able to simulate the charge process of a cell

  10. The evolutionary pathway from anoxygenic to oxygenic photosynthesis examined by comparison of the properties of photosystem II and bacterial reaction centers.

    Science.gov (United States)

    Allen, J P; Williams, J C

    2011-01-01

    In photosynthetic organisms, such as purple bacteria, cyanobacteria, and plants, light is captured and converted into energy to create energy-rich compounds. The primary process of energy conversion involves the transfer of electrons from an excited donor molecule to a series of electron acceptors in pigment-protein complexes. Two of these complexes, the bacterial reaction center and photosystem II, are evolutionarily related and structurally similar. However, only photosystem II is capable of performing the unique reaction of water oxidation. An understanding of the evolutionary process that lead to the development of oxygenic photosynthesis can be found by comparison of these two complexes. In this review, we summarize how insight is being gained by examination of the differences in critical functional properties of these complexes and by experimental efforts to alter pigment-protein interactions of the bacterial reaction center in order to enable it to perform reactions, such as amino acid and metal oxidation, observable in photosystem II.

  11. Property investigations of proton-proton reaction in dependence of the transverse momentum of a single particle for a beam momentum of 24 GeV/c

    International Nuclear Information System (INIS)

    Geist, W.M.

    1976-01-01

    This study is based on data produced in an experiment for the investigation of proton-proton reactions at a beam momentum of 24 GeV/c. In particular, the dependence of final state properties on the transverse momentum of a chosen secondary particle (trigger particle) is considered. The study has four parts: First, experimental procedures of selection, cleaning and correction of the data are developed and applied for exclusive and inclusive reactions. Then the description of a model with minimum correlation between two particles is given. In the third section, the mean charged multiplicities of inclusive reactions are measured and interpreted as a function of the transverse momentum of the trigger particle. A complete event structure for quasi-inclusive reactions is given in the last section. Much emphasis is placed on the investigation of events comprising the production of a particle with high transverse momentum (more than 1 GeV/c). (orig./WL) [de

  12. The importance of nuclear quantum effects in spectral line broadening of optical spectra and electrostatic properties in aromatic chromophores

    Science.gov (United States)

    Law, Y. K.; Hassanali, A. A.

    2018-03-01

    In this work, we examine the importance of nuclear quantum effects on capturing the line broadening and vibronic structure of optical spectra. We determine the absorption spectra of three aromatic molecules indole, pyridine, and benzene using time dependent density functional theory with several molecular dynamics sampling protocols: force-field based empirical potentials, ab initio simulations, and finally path-integrals for the inclusion of nuclear quantum effects. We show that the absorption spectrum for all these chromophores are similarly broadened in the presence of nuclear quantum effects regardless of the presence of hydrogen bond donor or acceptor groups. We also show that simulations incorporating nuclear quantum effects are able to reproduce the heterogeneous broadening of the absorption spectra even with empirical force fields. The spectral broadening associated with nuclear quantum effects can be accounted for by the broadened distribution of chromophore size as revealed by a particle in the box model. We also highlight the role that nuclear quantum effects have on the underlying electronic structure of aromatic molecules as probed by various electrostatic properties.

  13. Importance of soil-water relation in assessment endpoint in bioremediated soils: Plant growth and soil physical properties

    International Nuclear Information System (INIS)

    Li, X.; Sawatsky, N.

    1995-01-01

    Much effort has been focused on defining the end-point of bioremediated soils by chemical analysis (Alberta Tier 1 or CCME Guideline for Contaminated Soils) or toxicity tests. However, these tests do not completely assess the soil quality, or the capability of soil to support plant growth after bioremediation. This study compared barley (Hordeum vulgare) growth on: (i) non-contaminated, agricultural topsoil, (2) oil-contaminated soil (4% total extractable hydrocarbons, or TEH), and (3) oil-contaminated soil treated by bioremediation (< 2% TEH). Soil physical properties including water retention, water uptake, and water repellence were measured. The results indicated that the growth of barley was significantly reduced by oil-contamination of agricultural topsoil. Furthermore, bioremediation did not improve the barley yield. The lack of effects from bioremediation was attributed to development of water repellence in hydrocarbon contaminated soils. There seemed to be a critical water content around 18% to 20% in contaminated soils. Above this value the water uptake by contaminated soil was near that of the agricultural topsoil. For lower water contents, there was a strong divergence in sorptivity between contaminated and agricultural topsoil. For these soils, water availability was likely the single most important parameter controlling plant growth. This parameter should be considered in assessing endpoint of bioremediation for hydrocarbon contaminated soils

  14. Magnetic properties of ZnFe2O4 nanoparticles produced by a low-temperature solid-state reaction method

    International Nuclear Information System (INIS)

    Li Fashen; Wang Haibo; Wang Li; Wang Jianbo

    2007-01-01

    ZnFe 2 O 4 nanoparticles with average grain size ranging from 40 to 60 nm behaving superparamagnetic at room temperature have been produced using a low-temperature solid-state reaction (LTSSR) method without ball-milling process. Abnormal magnetic properties such as S-shape hysteresis loops and non-zero magnetic moments were observed. ZnFe 2 O 4 nanoparticles were also synthesized using a NaOH coprecipitation method and a PVA sol-gel method to study the relationship between the preparation processes and the magnetic properties. Spin-glass behavior was observed in the low temperature solid-state reaction produced Zn ferrite in the zero-field cooled (ZFC) measurement. Our work proves that the various preparation methods will to some extent determine the properties of magnetic nanoparticles

  15. Effect of Nuclear Reactions on the Properties of Al-Mg-Si Alloys after Long-Time Exploitation in Research Reactors

    CERN Document Server

    Hofmann, A; Szteke, W; Hajewska, E; Wagner, T; Semina, V K

    2004-01-01

    Effect of fast neutron ($E>$ 0.1~?eV) irradiation on the mechanical properties and fracture morphology of the Al-Mg-Si alloys (PAR-1 and ???-1) after 40 years of exploitation in research nuclear reactors has been studied. Tested specimens were cut from structural elements of reactor EWA ($\\acute{\\rm S}$wierk, Poland). Irradiation induces degradation in mechanical properties, namely yield strength and ultimate strength increase, but elongation reduces. The mechanical property changes are caused by ageing of Al--Mg--Si alloy. During irradiation Si is formed from Al by the Al($n, \\gamma $)Si reaction. The presence of Si might cause strengthening of the Al--Mg--Si alloys by increasing precipitation of Mg$_{2}$Si or pure Si in the Al matrix. Post-irradiation activity studies of EWA reactor structural elements show that the high-activity $^{60}$Co and $^{65}$Zn isotopes have been formed by the nuclear reactions.

  16. Effect of nuclear reactions on the properties of Al-Mg-Si alloys after long-time exploitation in research reactors

    International Nuclear Information System (INIS)

    Hofman, A.; Didyk, A.Yu.; Semina, V.K.; Szteke, W.; Hajewska, E.; Wagner, T.

    2004-01-01

    Effect of fast neutron (E > 0.1 MeV) irradiation on the mechanical properties and fracture morphology of the Al-Mg-Si alloys (PAR-1 and CAB-1) after 40 years of exploitation in research nuclear reactors has been studied. Tested specimens were cut from structural elements of reactor EWA (Swierk, Poland). Irradiation induces degradation in mechanical properties, namely yield strength and ultimate strength increase, but elongation reduces. The mechanical property changes are caused by ageing of Al-Mg-Si alloys. During irradiation Si is formed from Al by the Al(n, γ)Si reaction. The presence of Si might cause strengthening of the Al-Mg-Si alloys by increasing precipitation of Mg 2 Si or pure Si in the Al matrix. Post-irradiation activity studies of EWA reactor structural elements show that the high-activity 60 Co and 65 Zn isotopes have been formed by the nuclear reactions

  17. A study of the atmospherically important reactions between dimethyl selenide (DMSe) and molecular halogens (X2 = Cl2, Br2, and I2) with ab initio calculations.

    Science.gov (United States)

    Rhyman, Lydia; Armata, Nerina; Ramasami, Ponnadurai; Dyke, John M

    2012-06-14

    The atmospherically relevant reactions between dimethyl selenide (DMSe) and the molecular halogens (X(2) = Cl(2), Br(2), and I(2)) have been studied with ab initio calculations at the MP2/aug-cc-pVDZ level of theory. Geometry optimization calculations showed that the reactions proceed from the reagents to the products (CH(3)SeCH(2)X + HX) via three minima, a van der Waals adduct (DMSe:X(2)), a covalently bound intermediate (DMSeX(2)), and a product-like complex (CH(3)SeCH(2)X:HX). The computed potential energy surfaces are used to predict what molecular species are likely to be observed in spectroscopic experiments such as gas-phase photoelectron spectroscopy and infrared matrix isolation spectroscopy. It is concluded that, for the reactions of DMSe with Cl(2) and Br(2), the covalent intermediate should be seen in spectroscopic experiments, whereas, in the DMSe + I(2) reaction, the van der Waals adduct DMSe:I(2) should be observed. Comparison is made with previous related calculations and experiments on dimethyl sulfide (DMS) with molecular halogens. The relevance of the results to atmospheric chemistry is discussed. The DMSeX(2) and DMSe:X(2) intermediates are likely to be reservoirs of molecular halogens in the atmosphere which will lead on photolysis to ozone depletion.

  18. Evaluation of a polymerase chain reaction reverse hybridization line probe assay for the detection and identification of medically important fungi in bronchoalveolar lavage fluids.

    NARCIS (Netherlands)

    Meletiadis, J.; Melchers, W.J.G.; Meis, J.F.G.M.; Hurk, P.J.J.C. van den; Jannes, G.; Verweij, P.E.

    2003-01-01

    An assay system in which polymerase chain reaction (PCR) amplification of the ITS-1 region of ribosomal DNA (rDNA) is combined with a reverse-hybridization line probe assay (LiPA) was used for the identification of six Candida species and four Aspergillus species in pure cultures of clinical

  19. A study of the atmospherically important reactions of dimethylsulfide (DMS) with I2 and ICl using infrared matrix isolation spectroscopy and electronic structure calculations.

    Science.gov (United States)

    Beccaceci, Sonya; Armata, Nerina; Ogden, J Steven; Dyke, John M; Rhyman, Lydia; Ramasami, Ponnadurai

    2012-02-21

    The reactions of dimethylsulfide (DMS) with molecular iodine (I(2)) and iodine monochloride (ICl) have been studied by infrared matrix isolation spectroscopy by co-condensation of the reagents in an inert gas matrix. Molecular adducts of DMS + I(2) and DMS + ICl have also been prepared using standard synthetic methods. The vapour above each of these adducts trapped in an inert gas matrix gave the same infrared spectrum as that recorded for the corresponding co-condensation reaction. In each case, the infrared spectrum has been interpreted in terms of a van der Waals adduct, DMS : I(2) and DMS : ICl, with the aid of infrared spectra computed for their minimum energy structures at the MP2 level. Computed relative energies of minima and transition states on the potential energy surfaces of these reactions were used to understand why they do not proceed further than the reactant complexes DMS : I(2) and DMS : ICl. The main findings of this research are compared with results obtained earlier for the DMS + Cl(2) and DMS + Br(2) reactions, and the atmospheric implications of the conclusions are also considered.

  20. Structure and properties of porous TiNi(Co, Mo)-based alloy produced by the reaction sintering

    Science.gov (United States)

    Artyukhova, Nadezda; Yasenchuk, Yuriy; Chekalkin, Timofey; Gunther, Victor; Kim, Ji-Soon; Kang, Ji-Hoon

    2016-10-01

    Modern medical technologies have developed many new devices that can be implanted into humans to repair, assist or take the place of diseased or defective bones, arteries and even organs. The materials, especially porous ones, used for these devices have evolved steadily over the past twenty years with TiNi-based alloys replacing stainless steels and titanium. The aim of the paper is to presents results for examination of porous TiNi(Co,Mo)-based alloys intended further to be used in clinical practice. The structure and properties of porous TiNi-based alloys obtained by reaction sintering of Ti and Ni powders with additions of Co and Mo have been studied. It has been shown that alloying additions both Co and Mo inhibit the compaction of nickel powders in the initial stage of sintering. The maximum irreversible strain of porous samples under loading in the austenitic state is fixed with the Co addition, and the minimum one is fixed with the Mo addition. The Co addition leads to the fact that the martensite transformation in the TiNi phase becomes close to a one-step, and the Mo addition leads to the fact that the martensite transformation becomes more uniform. Both Co and Mo lead to an increase in the maximum accumulated strain as a result of the formation of temperature martensite. The additional increase in the maximum accumulated strain of the Ti50Ni49Co1 alloy is caused by decreased resistance of the porous Ni γ -based mass during the load.

  1. Effect of Maillard reaction products on the physical and antimicrobial properties of edible films based on ε-polylysine and chitosan.

    Science.gov (United States)

    Wang, Yingying; Liu, Fuguo; Liang, Chunxuan; Yuan, Fang; Gao, Yanxiang

    2014-11-01

    Edible films based on Maillard reaction products (MRPs) of ε-polylysine and chitosan, without the use of any plasticiser, were prepared by solution casting. The effect of Maillard reaction parameters (reaction time and the ratio of polylysine/chitosan) of ε-polylysine and chitosan on the structure, moisture content, water solubility, total colour difference and mechanical properties of edible films formed by MRPs were systematically evaluated. Scanning electron microscopy confirmed that edible films prepared by the MRPs of ε-polylysine and chitosan through the Maillard reaction exhibited a more compact and dense structure than those from the mixture of biopolymers without the presence of MRPs. The tensile strength and % elongation values of films from the mixture were decreased significantly with the rise of ε-polylysine (P Maillard reaction, whereas water solubility was decreased and total colour difference was increased significantly (P Maillard reaction time. In addition, antimicrobial activity of chitosan films against E. coli and S. aureus. could be achieved by incorporating ε-polylysine into chitosan. These films can ensure food quality and safety, especially for coating highly perishable foods, such as meat products. © 2014 Society of Chemical Industry. © 2014 Society of Chemical Industry.

  2. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

    KAUST Repository

    Minenkov, Yury

    2017-03-07

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol-1) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol-1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol-1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol-1, indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  3. Recent cross-section measurements of neutron-induced reactions of importance for background estimates in 0νββ searches

    Science.gov (United States)

    Tornow, W.; Bhike, M.; Finch, S. W.; Krishichayan

    2017-09-01

    We report on cross-section measurements for the reactions 76Ge(n,2n)75Ge, 76Ge(n,n'γ)76Ge, 126,127,128Te(n,γ)127,129,131Te, and 136Xe(n,n'γ)136Xe in the neutron energy range between 0.5 MeV and 15 MeV.

  4. Recent cross-section measurements of neutron-induced reactions of importance for background estimates in 0νββ searches

    Directory of Open Access Journals (Sweden)

    Tornow W.

    2017-01-01

    Full Text Available We report on cross-section measurements for the reactions 76Ge(n,2n75Ge, 76Ge(n,n′γ76Ge, 126,127,128Te(n,γ127,129,131Te, and 136Xe(n,n′γ136Xe in the neutron energy range between 0.5 MeV and 15 MeV.

  5. Quasielastic reactions

    International Nuclear Information System (INIS)

    Henning, W.

    1979-01-01

    Quasielastic reaction studies, because of their capability to microscopically probe nuclear structure, are still of considerable interest in heavy-ion reactions. The recent progress in understanding various aspects of the reaction mechanism make this aim appear closer. The relation between microscopic and macroscopic behavior, as suggested, for example, by the single proton transfer data to individual final states or averaged excitation energy intervals, needs to be explored. It seems particularly useful to extend measurements to higher incident energies, to explore and understand nuclear structure aspects up to the limit of the energy range where they are important

  6. The importance of the toxicological analysis in newborns: clearing the case of a tetralogy of Fallot with a paradoxical reaction to 1-hydroxymidazolam

    Directory of Open Access Journals (Sweden)

    Cristiano Ialongo

    2016-01-01

    Full Text Available Short half-life benzodiazepines like midazolam are used as premedication to relieve intra-partum pain, and are known to have no adverse effects to the newborn. However, such short-acting drugs are known to induce paradoxical reactions when their concentration is abnormally elevated respect to the age of the subject. In a 1 day-old newborn, admitted to the Cardiology Unit of the “Bambino Gesù” Children Hospital of Rome due to a prenatal diagnosis of tetralogy of Fallot, a paradoxical reaction with a spontaneous resolution was observed. The analysis of urines, performed by gas chromatography/mass spectrometry after a drug screening, showed the presence of the active metabolite 1-hydroxymidazolam at 9.7 µg/mL with no detectable trace of its precursor midazolam and of the alternative metabolite 4-hydroxymidazolam. On the basis of these evidences, we speculated that 1-hydroxymidazolam, produced by the mother’s liver enzymes, passed to the newborn whose reduced volume of distribution (for the shunted circulation favoured the onset of such a reaction. Hence, the toxicological approach should be carried out on both mother and child wherever the clinical picture may appear unexplainable or does not match with the other findings collected.

  7. The importance of the biomimetic composites components for recreating the optical properties and molecular composition of intact dental tissues.

    Science.gov (United States)

    Seredin, P. V.; Goloshchapov, D. L.; Gushchin, M. S.; Ippolitov, Y. A.; Prutskij, T.

    2017-11-01

    The objective of this paper was to investigate whether it is possible to obtain biomimetic materials recreating the luminescent properties and molecular composition of intact dental tissues. Biomimetic materials were produced and their properties compared with native dental tissues. In addition, the overall contribution of the organic and non-organic components in the photoluminescence band was investigated. The results showed that it is possible to develop biomimetic materials with similar molecular composition and optical properties to native dental tissues for the early identification of dental caries.

  8. Reactions of tritium atoms with amino acids, deuterated amino acids and mixtures of amino acids. Additivity property and isotope effect

    International Nuclear Information System (INIS)

    Badun, G.A.; Filatov, Eh.S.

    1988-01-01

    Interaction of tritium atoms with glycine (1) and leucine (2) amino acids, deuterated amino acids, their mixtures and glycylleucine (3) peptide in the 77-300 K temperature range is studied in isothermal and gradient regimes. Tagged amino acids were separated from targets after conducting the reaction. At T 150 K are associated with intermolecular transmission of free valence in the mixture of amino acids. Regularities of the reaction found for the mixture of amino acids are conserved for (3) as well, i.e. the peptide bond does not essentially affect the reaction of isotopic exchange conditioned by atomic tritium

  9. A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

    Science.gov (United States)

    Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.; Lee, Kam-Pui

    1990-01-01

    Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.

  10. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

    Science.gov (United States)

    Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A; Neese, Frank; Cavallo, Luigi

    2017-04-05

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (correlation effects. These large errors are reduced to a few kcal mol -1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol -1 , indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  11. Importance of poly(ethylene oxide)-modification and chloride anion for the electron transfer reaction of cytochrome c in 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide

    International Nuclear Information System (INIS)

    Ohno, Hiroyuki; Suzuki, Chiiko; Fujita, Kyoko

    2006-01-01

    Horse heart cytochrome c (cyt c) was chemically modified with poly(ethylene oxide) (PEO) to dissolve it in room temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([emim][TFSI]). The redox response of the modified cyt c, hereafter PEO-cyt c, was analyzed in [emim][TFSI]. PEO modification to the surface of cyt c, which exceeded 60% of the total mass of the PEO-cyt c, was an effective method to solubilize the cyt c. In spite of the high ion density and sufficient ionic conductivity of [emim][TFSI], no redox response of pure PEO-cyt c was detected. However, a reversible redox response of PEO-cyt c was observed after adding a simple electrolyte such as KCl to [emim][TFSI]. The redox response of PEO-cyt c was sensitive to the anion radius of the added salt, and the chloride anion was found to be the best anion species to produce a redox response of PEO-cyt c in [emim][TFSI]. However, above a certain salt concentration, the resulting increase in solution viscosity would suppress the redox reaction. The results strongly indicate that the chloride anions, because of their mobility in the polypeptide matrix, compensate the charge change of heme during the electron transfer reaction. Larger anions did not show such an effect due to sterical restrictions on the migration through the protein shell to the heme pocket of cyt c

  12. The importance of the protection of industrial property, how and to defend it; La importancia de la tutela de la propiedad industrial como y por que defenderla

    Energy Technology Data Exchange (ETDEWEB)

    Ferrandis, S.; Miazzetto, F.; Gracia, J. L.; Rodriguez, F.; Ortiz, A.; Bosh, A.

    2011-07-01

    The global economy has strengthened the importance that Intellectual Property rights have in our society, converting the investments done in intangible assets and their following enforcement in key factors of the entrepreneurial success and of the economy as a whole. The article offers a comprehensive vision of the reasons pushing the entrepreneurs to enforce their intellectual property and, at the same time, it tries to describe the means and corresponding proceedings that the Spanish system offers them with this aim. (Author)

  13. On The Importance of Connecting Laboratory Measurements of Ice Crystal Growth with Model Parameterizations: Predicting Ice Particle Properties

    Science.gov (United States)

    Harrington, J. Y.

    2017-12-01

    Parameterizing the growth of ice particles in numerical models is at an interesting cross-roads. Most parameterizations developed in the past, including some that I have developed, parse model ice into numerous categories based primarily on the growth mode of the particle. Models routinely possess smaller ice, snow crystals, aggregates, graupel, and hail. The snow and ice categories in some models are further split into subcategories to account for the various shapes of ice. There has been a relatively recent shift towards a new class of microphysical models that predict the properties of ice particles instead of using multiple categories and subcategories. Particle property models predict the physical characteristics of ice, such as aspect ratio, maximum dimension, effective density, rime density, effective area, and so forth. These models are attractive in the sense that particle characteristics evolve naturally in time and space without the need for numerous (and somewhat artificial) transitions among pre-defined classes. However, particle property models often require fundamental parameters that are typically derived from laboratory measurements. For instance, the evolution of particle shape during vapor depositional growth requires knowledge of the growth efficiencies for the various axis of the crystals, which in turn depends on surface parameters that can only be determined in the laboratory. The evolution of particle shapes and density during riming, aggregation, and melting require data on the redistribution of mass across a crystals axis as that crystal collects water drops, ice crystals, or melts. Predicting the evolution of particle properties based on laboratory-determined parameters has a substantial influence on the evolution of some cloud systems. Radiatively-driven cirrus clouds show a broader range of competition between heterogeneous nucleation and homogeneous freezing when ice crystal properties are predicted. Even strongly convective squall

  14. Nucleon exchange properties of the E/A=8.5 MeV 74Ge+165Ho reaction

    International Nuclear Information System (INIS)

    Planeta, R.; Kwiatkowski, K.; Zhou, S.H.; Viola, V.E.; Breuer, H.; McMahan, M.A.; Kehoe, W.; Mignerey, A.C.

    1990-01-01

    Mass and charge distributions have been measured for damped projectile-like fragments in the reaction 74 Ge+ 165 Ho at 8.5 MeV per nucleon bombarding energy. Coincidences were measured between Z- and A-identified projectile-like fragments and angle-correlated heavy reaction partners in order to derive the primary mass distribution for projectile-like fragments. Centroids and variances of the primary and post-evaporative Z, N, and A distributions are presented. The evolution of the primary N and Z distributions as a function of energy loss is found to deviate from predictions of the nucleon exchange transport model

  15. The functional properties of chitosan-glucose-asparagine Maillard reaction products and mitigation of acrylamide formation by chitosans.

    Science.gov (United States)

    Sung, Wen-Chieh; Chang, Yu-Wei; Chou, Yu-Hao; Hsiao, Hsin-I

    2018-03-15

    This research aims to clarify the interactions that occur in a food model system consisting of glucose, asparagine and chitosans. Low molecular weight chitosan exerted a potent inhibitory effect (46.8%) on acrylamide and Maillard reaction products (MRPs) (>52.6%), respectively. Compared to a previous study conducted using the fructose system, the novel findings of this research demonstrate that the formation of acrylamide and Maillard reaction products was lower with glucose than with fructose when they were used as reducing sugars in food model systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. The importance of charge-transfer interactions in determining chromophoric dissolved organic matter (CDOM) optical and photochemical properties.

    Science.gov (United States)

    Sharpless, Charles M; Blough, Neil V

    2014-04-01

    Absorption of sunlight by chromophoric dissolved natural organic matter (CDOM) is environmentally significant because it controls photic zone depth and causes photochemistry that affects elemental cycling and contaminant fate. Both the optics (absorbance and fluorescence) and photochemistry of CDOM display unusual properties that cannot easily be ascribed to a superposition of individual chromophores. These include (i) broad, unstructured absorbance that decreases monotonically well into the visible and near IR, (ii) fluorescence emission spectra that all fall into a single envelope regardless of the excitation wavelength, and (iii) photobleaching and photochemical quantum yields that decrease monotonically with increasing wavelength. In contrast to a simple superposition model, these phenomena and others can be reasonably well explained by a physical model in which charge-transfer interactions between electron donating and accepting chromophores within the CDOM control the optical and photophysical properties. This review summarizes current understanding of the processes underlying CDOM photophysics and photochemistry as well as their physical basis.

  17. Transparent conductors from layer-by-layer assembled SWNT films: importance of mechanical properties and a new figure of merit.

    Science.gov (United States)

    Shim, Bong Sup; Zhu, Jian; Jan, Edward; Critchley, Kevin; Kotov, Nicholas A

    2010-07-27

    New transparent conductors (TCs) capable of replacing traditional indium tin oxide (ITO) are much needed for displays, sensors, solar cells, smart energy-saving windows, and flexible electronics. Technical requirements of TCs include not only high electrical conductivity and transparency but also environmental stability and mechanical property which are often overlooked in the research environment. Single-walled carbon nanotube (SWNT) coatings have been suggested as alternative TC materials but typically lack sufficient wear resistance compared to ITO. Balancing conductance, transparency, durability, and flexibility is a formidable challenge, which leads us to the introduction of a new TC figure of merit, PiTC, incorporating all these qualities. Maximization of PiTC to that of ITO or better can be suggested as an initial research goal. Fine tuning of SWNT layer-by-layer (LBL) polymeric nanocomposite structures makes possible integration of all the necessary properties. The produced TC demonstrated resistivity of 86 Omega/sq with 80.2% optical transmittance combined with tensile modulus, strength, and toughness of the film of 12.3+/-3.4 GPa, 218+/-13 MPa, and 8+/-1.7 J/g, respectively. A new transparent capping layer to conserve these properties in the hostile environment with matching or better strength, toughness, and transparency parameters was also demonstrated. Due to application demands, bending performance of TC made by LBL was of special interest and exceeded that of ITO by at least 100 times. Cumulative figure of merit PiTC for the produced coatings was 0.15 Omega(-1), whereas the conventional ITO showed PiTCOmega(-1). With overall electrical and optical performance comparable to ITO and exceptional mechanical properties, the described coatings can provide an excellent alternative to ITO or other nanowire- and nanotube-based TC specifically in flexible electronics, displays, and sensors.

  18. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.

    Science.gov (United States)

    Marques, J M C; Martínez-Núñez, E; Fernandez-Ramos, A; Vazquez, S A

    2005-06-23

    Large-scale classical trajectory calculations have been performed to study the reaction Ar + CH4--> CH3 +H + Ar in the temperature range 2500 energy surface used for ArCH4 is the sum of the nonbonding pairwise potentials of Hase and collaborators (J. Chem. Phys. 2001, 114, 535) that models the intermolecular interaction and the CH4 intramolecular potential of Duchovic et al. (J. Phys. Chem. 1984, 88, 1339), which has been modified to account for the H-H repulsion at small bending angles. The thermal rate coefficient has been calculated, and the zero-point energy (ZPE) of the CH3 product molecule has been taken into account in the analysis of the results; also, two approaches have been applied for discarding predissociative trajectories. In both cases, good agreement is observed between the experimental and trajectory results after imposing the ZPE of CH3. The energy-transfer parameters have also been obtained from trajectory calculations and compared with available values estimated from experiment using the master equation formalism; in general, the agreement is good.

  19. Information about the properties of highly-excited states of nuclei, obtained in the reaction (n, α) with resonance neutrons

    International Nuclear Information System (INIS)

    Balabanov, N.P.

    1980-01-01

    The results measurements of total α-widths in the reaction (n, α) using resonance neutrons have been analysed. The data obtained have been compared with the predictions of the statistical theory and the cluster model. Attention has been paid to some possible deviations from the statistical relationships in the behaviour of total α-widths

  20. Synthesis of α- and #betta#- Nor - lapachones, its properties in acid media and its reaction with N-bromosuccinamide

    International Nuclear Information System (INIS)

    Pinto, A.V.; Pinto, M. do C.R.; Oliveira, C.G.T. de; Universidade Federal Fluminense, Niteroi

    1982-01-01

    α-nor-lapachone 4 and #betta#-nor-lapachone 5 are obtained from nor-lapachol 6 by cyclization reactions using hidrocloric acid in AcOH for the first one and sulfuric acid for the latter. The compounds 4 and 5 are obtained in high yields. On the acid conditions the isomers are interchangeable, this approach is described in scheme II. Chemical reactions have been done with the derivatives 4 and 5 with N-bromosuccinamide, in carbon tetracloride and benzene. These two isomers have shown different chemical behavior, and this difference could be related to the quinoidal structure. Thus, in Cl 4 , 4 reacted with one equivalent of NBS giving the expected product 8 (allyclic bromination). The #betta#-isomer 5 furnished the product II and required two equivalents of the NBS for complete consumption of the starting material. Using benzene, as solvent, it is observed an anomalous behaviour in the reaction. Schemes IV and VI show the proposed mechanisms for the reaction products according to the hitherto evidence. (Author) [pt

  1. Reaction Mechanisms and Structural and Physicochemical Properties of Caffeic Acid Grafted Chitosan Synthesized in Ascorbic Acid and Hydroxyl Peroxide Redox System.

    Science.gov (United States)

    Liu, Jun; Pu, Huimin; Chen, Chong; Liu, Yunpeng; Bai, Ruyu; Kan, Juan; Jin, Changhai

    2018-01-10

    The ascorbic acid (AA) and hydroxyl peroxide (H 2 O 2 ) redox pair induced free radical grafting reaction is a promising approach to conjugate phenolic groups with chitosan (CS). In order to reveal the exact mechanisms of the AA/H 2 O 2 redox pair induced grafting reaction, free radicals generated in the AA/H 2 O 2 redox system were compared with hydroxyl radical ( • OH) produced in the Fe 2+ /H 2 O 2 redox system. Moreover, the structural and physicochemical properties of caffeic acid grafted CS (CA-g-CS) synthesized in these two redox systems were compared. Results showed that only ascorbate radical (Asc •- ) was produced in the AA/H 2 O 2 system. The reaction between Asc •- and CS produced novel carbon-centered radicals, whereas no new free radicals were detected when • OH reacted with CS. Thin layer chromatography, UV-vis, Fourier transform infrared, and nuclear magnetic resonance spectroscopic analyses all confirmed that CA was successfully grafted onto CS through Asc •- . However, CA could be hardly grafted onto CS via • OH. CA-g-CS synthesized through Asc •- exhibited lower thermal stability and crystallinity than the reaction product obtained through • OH. For the first time, our results demonstrated that the synthesis of CA-g-CS in the AA/H 2 O 2 redox system was mediated by Asc •- rather than • OH.

  2. [Standardization and regulation of the rate of the superoxide-generating adrenaline autoxidation reaction used for evaluation of pro/antioxidant properties of various materials].

    Science.gov (United States)

    Sirota, T V

    2016-11-01

    The superoxide-generating reaction of adrenaline autoxidation is widely used for determination of the activity of superoxide dismutase and pro/antioxidant properties of various materials. There are two variants of the spectrophotometric registration of the products of this reaction. The first is based on registration of adrenochrome, as adrenaline autooxidation product at 347 nm; the second employs nitro blue tetrazolium (NBT) and registration of diformazan, a product of NBT reduction at 560 nm. In the present work, recommendations for the standardization of the reaction rate in both variants have been proposed. The main approach consists in the use of the pharmaceutical form of 0.1% adrenaline hydrochloride solution. Although each of two adrenaline preparations available in the Russian market has some features in kinetic behavior of its autooxidation; they are applicable in the superoxide generating system based on adrenaline autooxidation. Performing measurements at 560 nm, the reaction rate can be regulated by lowering the concentration of added adrenaline, whereas during spectrophotometric registration at 347 nm, this cannot be done. These features of adrenaline autoxidation may be due to the fact that the intrinsic multistage process of the conversion of adrenaline to adrenochrome, which is recorded at 347 nm, is coupled with the transition of electrons from adrenaline and intermediate products of its oxidation to oxygen, carbon dioxide, and carbonate bicarbonate ions, which is detected in the presence of added NBT.

  3. Characterization of site-specific biomechanical properties of human meniscus-Importance of collagen and fluid on mechanical nonlinearities.

    Science.gov (United States)

    Danso, E K; Mäkelä, J T A; Tanska, P; Mononen, M E; Honkanen, J T J; Jurvelin, J S; Töyräs, J; Julkunen, P; Korhonen, R K

    2015-06-01

    Meniscus adapts to joint loads by depth- and site-specific variations in its composition and structure. However, site-specific mechanical characteristics of intact meniscus under compression are poorly known. In particular, mechanical nonlinearities caused by different meniscal constituents (collagen and fluid) are not known. In the current study, in situ indentation testing was conducted to determine site-specific elastic, viscoelastic and poroelastic properties of intact human menisci. Lateral and medial menisci (n=26) were harvested from the left knee joint of 13 human cadavers. Indentation tests, using stress-relaxation and dynamic (sinusoidal) loading protocols, were conducted for menisci at different sites (anterior, middle, posterior, n=78). Sample- and site-specific axisymmetric finite element models with fibril-reinforced poroelastic properties were fitted to the corresponding stress-relaxation curves to determine the mechanical parameters. Elastic moduli, especially the instantaneous and dynamic moduli, showed site-specific variation only in the medial meniscus (pmeniscus. The phase angle showed no statistically significant variation between the sites (p>0.05). The values for the strain-dependent fibril network modulus (nonlinear behaviour of collagen) were significantly different (pmeniscus only between the middle and posterior sites. For the strain-dependent permeability coefficient, only anterior and middle sites showed a significant difference (pmeniscus. This parameter demonstrated a significant difference (pmeniscus shows more site-dependent variation in the mechanical properties as compared to lateral meniscus. In particular, anterior horn of medial meniscus was the stiffest and showed the most nonlinear mechanical behaviour. The nonlinearity was related to both collagen fibrils and fluid. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Importance of thiol-functionalized molecules for the structure and properties of compression-molded glassy wheat gluten bioplastics.

    Science.gov (United States)

    Jansens, Koen J A; Lagrain, Bert; Brijs, Kristof; Goderis, Bart; Smet, Mario; Delcour, Jan A

    2013-11-06

    High-temperature compression molding of wheat gluten at low water levels yields a rigid plastic-like material. We performed a systematic study to determine the effect of additives with multiple thiol (SH) groups on gluten network formation during processing and investigate the impact of the resulting gluten network on the mechanical properties of the glassy end product. To this end, a fraction of the hydroxyl groups of different polyols was converted into SH functionalities by esterifying with 3-mercaptopropionic acid (MPA). The monofunctional additive MPA was evaluated as well. During low-temperature mixing SH-containing additives decreased the gluten molecular weight, whereas protein cross-linking occurred during high-temperature compression molding. The extent of both processes depended on the molecular architecture of the additives and their concentration. After molding, the material strength and failure strain increased without affecting the modulus, provided the additive concentration was low. The strength decreased again at too high concentrations for polyols with low SH functionalization. Attributing these effects solely to the interplay of plasticization and the SH-facilitated introduction of cross-links is inadequate, since an improvement in both strength and failure strain was also observed in the presence of high levels of MPA. It is hypothesized that, regardless of the molecular structure of the additive, the presence of SH-containing groups induces conformational changes which contribute to the mechanical properties of glassy gluten materials.

  5. Temperature dependence of bromine activation due to reaction of bromide with ozone in a proxy for organic aerosols and its importance for chemistry in surface snow.

    Science.gov (United States)

    Edebeli, Jacinta; Ammann, Markus; Gilgen, Anina; Trachsel, Jürg; Avak, Sven; Eichler, Anja; Schneebeli, Martin; Bartels-Rausch, Thorsten

    2017-04-01

    Tropospheric ozone depletion events (ODEs) via halogen activation are observed in both cold and warm climates [1-3]. Very recently, it was suggested that this multiphase halogen activation chemistry dominates in the tropical and subtropical upper troposphere [4]. These occurrences beg the question of temperature dependence of halogen activation in sea-salt aerosol, which are often mixtures of sea-salt and organic molecules [3, 5]. With the application of flow-tubes, the aim of this study is to investigate the temperature dependence of bromine activation via ozone interaction in a bromide containing film as a proxy for mixed organic - sea-salt aersol. Citric acid is used in this study as a hygroscopically characterized matrix and a proxy for oxidized organics, which is of relevance to atmospheric chemistry. Here, we present reactive ozone uptake measured between 258 and 289 K. The data show high reproducibility. With available knowledge, we have reproduced the measured uptake with modelled bulk uptake while accounting for temperature dependence of the substrate's properties as diffusivity, viscosity, and gas solubility. This work is part of a cross-disciplinary project with the aim to investigate the impact of metamorphism on impurity location in aging snow and its consequences for chemical reactivity. Metamorphism drastically shapes the structure and physical properties of snow, which has impacts on heat transfer, albedo, and avalanche formation. Such changes can be driven by water vapour fluxes in dry metamorphism with a mass turnover of as much as 60% per day - much greater than previously thought [6]. The consequences for atmospheric science are a current question of research [7]. Here, we show first results of a joint experiment to probe the re-distribution of impurities during snow metamorphism in artificial snow combined with an investigation of the samples structural changes. Future work is planned with the goal to investigate to which extend the observed re

  6. Fast preparation of Na0.44MnO2 nanorods via a high NaOH concentration hydrothermal soft chemical reaction and their lithium storage properties

    International Nuclear Information System (INIS)

    Liu, Cai; Li, Jiangang; Zhao, Pengxiang; Guo, Wenli; Yang, Xiaoping

    2015-01-01

    This paper describes a high NaOH concentration hydrothermal soft chemical reaction to prepare Na 0.44 MnO 2 nanorods. In this process, Na-birnessite precursors and concentrated NaOH solution are introduced into the hydrothermal reaction. As a result, the hydrothermal time can be significantly shortened from 96 to 24 h, the hydrothermal temperature can be reduced from 205 to 180 °C and the yield of Na 0.44 MnO 2 can be increased from about 0.6 to about 2.4 g/(mL . day), respectively. Furthermore, the obtained Na 0.44 MnO 2 nanorods with one-dimensional tunnel structures exhibit favorable electrochemical lithium storage properties, which make them promising for the cathode materials of lithium-ion batteries

  7. Interfacial Reaction Characteristics and Mechanical Properties of Welding-brazing Bonding Between AZ31B Magnesium Alloy and PRO500 Ultra-high Strength Steel

    Directory of Open Access Journals (Sweden)

    CHEN Jian-hua

    2017-11-01

    Full Text Available Experiments were carried out with TIG welding-brazing of AZ31B magnesium alloy to PRO500 steel using TIG arc as heat source. The interfacial reaction characteristics and mechanical properties of the welding-brazing bonding were investigated. The results show that an effective bonding is achieved between AZ31B magnesium alloy and PRO500 steel by using TIG welding-brazing method. Some spontaneous oxidation reactions result in the formation of a transition zone containing AlFe3 phase with rich oxide. The micro-hardness value of the interfacial transition zone is between that of the AZ31B and the PRO500. Temper softening zone appears due to the welding thermal cycle nearby the bonding position in the interface. A higher heat input makes an increase of the brittle phases and leads to an obvious decrease of the bonding strength.

  8. Comparison of the accuracy of Hybrid Capture II and polymerase chain reaction in detecting clinically important cervical dysplasia: a systematic review and meta-analysis

    International Nuclear Information System (INIS)

    Luu, Hung N; Dahlstrom, Kristina R; Mullen, Patricia Dolan; VonVille, Helena M; Scheurer, Michael E

    2013-01-01

    The effectiveness of screening programs for cervical cancer has benefited from the inclusion of Human papillomavirus (HPV) DNA assays; which assay to choose, however, is not clear based on previous reviews. Our review addressed test accuracy of Hybrid Capture II (HCII) and polymerase chain reaction (PCR) assays based on studies with stronger designs and with more clinically relevant outcomes. We searched OvidMedline, PubMed, and the Cochrane Library for English language studies comparing both tests, published 1985–2012, with cervical dysplasia defined by the Bethesda classification. Meta-analysis provided pooled sensitivity, specificity, and 95% confidence intervals (CIs); meta-regression identified sources of heterogeneity. From 29 reports, we found that the pooled sensitivity and specificity to detect high-grade squamous intraepithelial lesion (HSIL) was higher for HCII than PCR (0.89 [CI: 0.89–0.90] and 0.85 [CI: 0.84–0.86] vs. 0.73 [CI: 0.73–0.74] and 0.62 [CI: 0.62–0.64]). Both assays had higher accuracy to detect cervical dysplasia in Europe than in Asia-Pacific or North America (diagnostic odd ratio – dOR = 4.08 [CI: 1.39–11.91] and 4.56 [CI: 1.86–11.17] for HCII vs. 2.66 [CI: 1.16–6.53] and 3.78 [CI: 1.50–9.51] for PCR) and accuracy to detect HSIL than atypical squamous cells of undetermined significance (ASCUS)/ low-grade squamous intraepithelial lesion (LSIL) (HCII-dOR = 9.04 [CI: 4.12–19.86] and PCR-dOR = 5.60 [CI: 2.87–10.94]). For HCII, using histology as a gold standard results in higher accuracy than using cytology (dOR = 2.87 [CI: 1.31–6.29]). Based on higher test accuracy, our results support the use of HCII in cervical cancer screening programs. The role of HPV type distribution should be explored to determine the worldwide comparability of HPV test accuracy

  9. A Laboratory Test Setup for in Situ Measurements of the Dielectric Properties of Catalyst Powder Samples under Reaction Conditions by Microwave Cavity Perturbation: Set up and Initial Tests

    Directory of Open Access Journals (Sweden)

    Markus Dietrich

    2014-09-01

    Full Text Available The catalytic behavior of zeolite catalysts for the ammonia-based selective catalytic reduction (SCR of nitrogen oxides (NOX depends strongly on the type of zeolite material. An essential precondition for SCR is a previous ammonia gas adsorption that occurs on acidic sites of the zeolite. In order to understand and develop SCR active materials, it is crucial to know the amount of sorbed ammonia under reaction conditions. To support classical temperature-programmed desorption (TPD experiments, a correlation of the dielectric properties with the catalytic properties and the ammonia sorption under reaction conditions appears promising. In this work, a laboratory test setup, which enables direct measurements of the dielectric properties of catalytic powder samples under a defined gas atmosphere and temperature by microwave cavity perturbation, has been developed. Based on previous investigations and computational simulations, a resonator cavity and a heating system were designed, installed and characterized. The resonator cavity is designed to operate in its TM010 mode at 1.2 GHz. The first measurement of the ammonia loading of an H-ZSM-5 zeolite confirmed the operating performance of the test setup at constant temperatures of up to 300 °C. It showed how both real and imaginary parts of the relative complex permittivity are strongly correlated with the mass of stored ammonia.

  10. A laboratory test setup for in situ measurements of the dielectric properties of catalyst powder samples under reaction conditions by microwave cavity perturbation: set up and initial tests.

    Science.gov (United States)

    Dietrich, Markus; Rauch, Dieter; Porch, Adrian; Moos, Ralf

    2014-09-10

    The catalytic behavior of zeolite catalysts for the ammonia-based selective catalytic reduction (SCR) of nitrogen oxides (NOX) depends strongly on the type of zeolite material. An essential precondition for SCR is a previous ammonia gas adsorption that occurs on acidic sites of the zeolite. In order to understand and develop SCR active materials, it is crucial to know the amount of sorbed ammonia under reaction conditions. To support classical temperature-programmed desorption (TPD) experiments, a correlation of the dielectric properties with the catalytic properties and the ammonia sorption under reaction conditions appears promising. In this work, a laboratory test setup, which enables direct measurements of the dielectric properties of catalytic powder samples under a defined gas atmosphere and temperature by microwave cavity perturbation, has been developed. Based on previous investigations and computational simulations, a resonator cavity and a heating system were designed, installed and characterized. The resonator cavity is designed to operate in its TM010 mode at 1.2 GHz. The first measurement of the ammonia loading of an H-ZSM-5 zeolite confirmed the operating performance of the test setup at constant temperatures of up to 300 °C. It showed how both real and imaginary parts of the relative complex permittivity are strongly correlated with the mass of stored ammonia.

  11. Coupled modelling (transport-reaction) of the fluid-clay interactions and their feed back on the physical properties of the bentonite engineered clay barrier system

    International Nuclear Information System (INIS)

    Marty, N.

    2006-11-01

    The originality of this work is to process feed back effects of mineralogical and chemical modifications of clays, in storage conditions, on their physical properties and therefore on their transport characteristics (porosity, molecular diffusion, permeability). These feed back effects are modelled using the KIRMAT code (Kinetic of Reaction and MAss Transfer) developed from the kinetic code KINDIS by adding the effect of water renewal in the mineral-solution reactive cells. KIRMAT resolves mass balance equations associated with mass transport together with the geochemical reactions in a 1D approach. After 100 000 years of simulated interaction at 100 C, with the fluid of the Callovo-Oxfordian geological level (COX) and with iron provided by the steel overpack corrosion, the montmorillonite of the clay barrier is only partially transformed (into illite, chlorite, saponite...). Only outer parts of the modelled profile seem to be significantly affected by smectite dissolution processes, mainly at the interface with the geological environment. The modifications of physical properties show a closure of the porosity at the boundaries of the barrier, by creating a decrease of mass transport by molecular diffusion, essentially at the interface with the iron. Permeability laws applied to this system show a decrease of the hydraulic conductivity correlated with the porosity evolution. Near the COX, the swelling pressure of the clays from the barrier decreases. In the major part of the modelled profile, the engineered clay barrier system seems to keep its initial physical properties (porosity, molecular diffusion, permeability, swelling pressure) and functionalities. (author)

  12. Temperature-controlled cross-linking of silver nanoparticles with diels-alder reaction and its application on antibacterial property

    Science.gov (United States)

    Liu, Lian; Yang, Pengfei; Li, Junying; Zhang, Zhiliang; Yu, Xi; Lu, Ling

    2017-05-01

    Sliver nanoparticles (AgNPs) were synthesized and functionalized with furan group on their surface, followed by the reverse Diels-Alder (DA) reaction with bismaleimide to vary the particle size, so as to give different antibacterial activities. These nanoparticles were characterized using Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Ultraviolet-Visible (UV-vis), Nanoparticle Size Analyzer and X-Ray Photoelectron Spectroscopy (XPS). It was found that the cross-linking reaction with bismaleimide had a great effect on the size of AgNPs. The size of the AgNPs could be controlled by the temperature of DA/r-DA equilibrium. The antibacterial activity was assessed using the inhibition zone diameter by introducing the particles into a media containing Escherichia coli, Listeria monocytogenes, and Staphylococcus aureus, respectively. It was found that these particles were effective bactericides. Furthermore, the antibacterial activity of the nanoparticles decreased orderly as the particle size enlarged.

  13. Importance of sequential two-step transfer process in a ΔS = 1 and ΔT = 1 inelastic transition of 14N(p, p')14N reaction

    International Nuclear Information System (INIS)

    Aoki, Y.; Kunori, S.; Nagano, K.; Toba, Y.; Yagi, K.

    1981-01-01

    Differential cross sections and vector analyzing powers for 14 N(p, p') and 14 N(p, d) reactions have been measured at E sub(p) = 21.0 MeV to elucidate the reaction mechanism and the effective interaction for the ΔS = ΔT = 1 transition in 14 N(p, p') 14 N(2.31 MeV) reaction. The data are analyzed in terms of finite-range distorted wave Borm approximation (DWBA) which include direct, knock-on exchange and (p, d)(d, p') two-step processes. Shell model wave functions of Cohen and Kurath are used. The data for the first excited state is reasonably well explained by introducing two-step process. The two-step process explains half of the experimental intensity. Moreover vector analyzing power can hardly be explained without introducing this two-step process. Vector analyzing power of protons leading to the second excited state in 14 N is better explained by introducing macroscopic calculation. The data for 14 N(p, d) 13 N(gs) reaction are well explained by a suitable choice of deuteron optical potential. Knock-on exchange contribution is relatively small. Importance of this two-step process for ΔS = ΔT = 1 transition is discussed up to 40 MeV. (author)

  14. Temperature-controlled cross-linking of silver nanoparticles with Diels-Alder reaction and its application on antibacterial property

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lian; Yang, Pengfei, E-mail: ypf@qlu.edu.cn; Li, Junying; Zhang, Zhiliang; Yu, Xi; Lu, Ling

    2017-05-01

    Highlights: • Silver nanoparticles were functionalized by furan groups. • The DA reaction of furan with bismaleimide was used to cross-link the particles. • The reverse cross-linking could be controlled by temperature. • The antibacterial activity of silvers could be adjusted by the cross-linking. - Abstract: Sliver nanoparticles (AgNPs) were synthesized and functionalized with furan group on their surface, followed by the reverse Diels-Alder (DA) reaction with bismaleimide to vary the particle size, so as to give different antibacterial activities. These nanoparticles were characterized using Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Ultraviolet-Visible (UV–vis), Nanoparticle Size Analyzer and X-Ray Photoelectron Spectroscopy (XPS). It was found that the cross-linking reaction with bismaleimide had a great effect on the size of AgNPs. The size of the AgNPs could be controlled by the temperature of DA/r-DA equilibrium. The antibacterial activity was assessed using the inhibition zone diameter by introducing the particles into a media containing Escherichia coli, Listeria monocytogenes, and Staphylococcus aureus, respectively. It was found that these particles were effective bactericides. Furthermore, the antibacterial activity of the nanoparticles decreased orderly as the particle size enlarged.

  15. Temperature-controlled cross-linking of silver nanoparticles with Diels-Alder reaction and its application on antibacterial property

    International Nuclear Information System (INIS)

    Liu, Lian; Yang, Pengfei; Li, Junying; Zhang, Zhiliang; Yu, Xi; Lu, Ling

    2017-01-01

    Highlights: • Silver nanoparticles were functionalized by furan groups. • The DA reaction of furan with bismaleimide was used to cross-link the particles. • The reverse cross-linking could be controlled by temperature. • The antibacterial activity of silvers could be adjusted by the cross-linking. - Abstract: Sliver nanoparticles (AgNPs) were synthesized and functionalized with furan group on their surface, followed by the reverse Diels-Alder (DA) reaction with bismaleimide to vary the particle size, so as to give different antibacterial activities. These nanoparticles were characterized using Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Ultraviolet-Visible (UV–vis), Nanoparticle Size Analyzer and X-Ray Photoelectron Spectroscopy (XPS). It was found that the cross-linking reaction with bismaleimide had a great effect on the size of AgNPs. The size of the AgNPs could be controlled by the temperature of DA/r-DA equilibrium. The antibacterial activity was assessed using the inhibition zone diameter by introducing the particles into a media containing Escherichia coli, Listeria monocytogenes, and Staphylococcus aureus, respectively. It was found that these particles were effective bactericides. Furthermore, the antibacterial activity of the nanoparticles decreased orderly as the particle size enlarged.

  16. Investigation of fission properties and evaporation residue measurement in the reactions using 238U target nucleus

    Directory of Open Access Journals (Sweden)

    Saro S.

    2011-10-01

    Full Text Available Fragment mass distributions for fission after full momentum transfer were measured in the reactions of 30Si,34,36 S,31P,40Ar + 238U at bombarding energies around the Coulomb barrier. Mass distributions change significantly as a function of incident beam energy. The asymmetric fission probability increases at sub-barrier energy. The phenomenon is interpreted as an enhanced quasifission probability owing to orientation effects on fusion and/or quasifission. The evaporation residue (ER cross sections were measured in the reactions of 30Si + 238U and 34S + 238U to obtain information on fusion. In the latter reaction, significant suppression of fusion was implied. This suggests that fission events different from compound nucleus are included in the masssymmetric fragments. The results are supported by a model calculation based on a dynamical calculation using Langevin equation, in which the mass distribution for fusion-fission and quasifission fragments are separately determined.

  17. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    Energy Technology Data Exchange (ETDEWEB)

    Aghamohammadi, Sogand [Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Reactor and Catalysis Research Center (RCRC), Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Haghighi, Mohammad, E-mail: haghighi@sut.ac.ir [Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Reactor and Catalysis Research Center (RCRC), Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Charghand, Mojtaba [Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of); Reactor and Catalysis Research Center (RCRC), Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz (Iran, Islamic Republic of)

    2014-02-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH{sub 3}-TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH{sub 3}-TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive

  18. Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

    International Nuclear Information System (INIS)

    Aghamohammadi, Sogand; Haghighi, Mohammad; Charghand, Mojtaba

    2014-01-01

    Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH 3 -TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH 3 -TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive thermodynamic

  19. The effect of a non-steroidal anti-inflammatory drug on two important predictors for accidental falls: postural balance and manual reaction time. A randomized, controlled pilot study.

    Science.gov (United States)

    Hegeman, Judith; Nienhuis, Bart; van den Bemt, Bart; Weerdesteyn, Vivian; van Limbeek, Jacques; Duysens, Jacques

    2011-04-01

    Accidental falls in older individuals are a major health and research topic. Increased reaction time and impaired postural balance have been determined as reliable predictors for those at risk of falling and are important functions of the central nervous system (CNS). An essential risk factor for falls is medication exposure. Amongst the medications related to accidental falls are the non-steroidal anti-inflammatory drugs (NSAIDs). About 1-10% of all users experience CNS side effects. These side effects, such as dizziness, headaches, drowsiness, mood alteration, and confusion, seem to be more common during treatment with indomethacin. Hence, it is possible that maintenance of (static) postural balance and swift reactions to stimuli are affected by exposure to NSAIDs, indomethacin in particular, consequently putting older individuals at a greater risk for accidental falls. The present study investigated the effect of a high indomethacin dose in healthy middle-aged individuals on two important predictors of falls: postural balance and reaction time. Twenty-two healthy middle-aged individuals (59.5 ± 4.7 years) participated in this double-blind, placebo-controlled, randomized crossover trial. Three measurements were conducted with a week interval each. A measurement consisted of postural balance as a single task and while concurrently performing a secondary cognitive task and reaction time tasks. For the first measurement indomethacin 75 mg (slow-release) or a visually identical placebo was randomly assigned. In total, five capsules were taken orally in the 2.5 days preceding assessment. The second measurement was without intervention, for the final one the first placebo group got indomethacin and vice versa. Repeated measures GLM revealed no significant differences between indomethacin, placebo, and baseline in any of the balance tasks. No differences in postural balance were found between the single and dual task conditions, or on the performance of the dual task

  20. Thermonuclear reaction rates. III

    International Nuclear Information System (INIS)

    Harris, M.J.; Fowler, W.A.; Caughlan, G.R.; Zimmerman, B.A.

    1983-01-01

    Stellar thermonuclear reaction rates are revised and updated, adding a number of new important reaction rates. Several reactions with large negative Q-values are included, and examples of them are discussed. The importance of the decay rates for Mg-26(p,n) exp 26 Al and Al-26(n,p) exp 26 Mg for stellar studies is emphasized. 19 references

  1. Understanding the Importance of “Symbolic Interaction Stigma:” How Expectations about the Reactions of Others Adds to the Burden of Mental illness Stigma

    Science.gov (United States)

    Link, Bruce G.; Wells, Jennifer; Phelan, Jo C.; Yang, Lawrence

    2017-01-01

    Objective Important components of stigma include imagining what others might think of a stigmatized status, anticipating what might transpire in an interaction with others, and rehearsing what one might do if something untoward occurs. These imagined relations are here called “symbolic interaction stigma” and can be impactful even if the internalization of negative stereotypes fails to occur. Concepts and measures that capture symbolic interaction stigma are introduced and a preliminary assessment of their impact provided. Methods Four self-report measures of symbolic interaction stigma (perceived devaluation discrimination, anticipation of rejection, stigma consciousness and concern with staying in) were developed or adapted and administered to a sample of individuals who have experienced mental illness (N=65). Regression analyses examined whether forms of symbolic interaction stigma were associated with withdrawal, self-esteem and isolation from relatives independent of measures of internalization of stigma and rejection experiences. Results As evidenced by scores on four distinct measures symbolic interaction stigma was relatively common in the sample, somewhat more common than the internalization of stigma. Additionally, measures of symbolic interaction stigma were significantly associated with withdrawal, self-esteem and isolation from relatives even when a measure of the internalization of stigma was statistically controlled. Conclusions and Implications for Practice The study suggests the potential importance of considering symbolic interaction forms of stigma in understanding and addressing stigma and its consequences. Being aware of symbolic interaction stigma could be useful in enhancing rehabilitation goals if an approach to counteracting the negative effects of these aspects of stigma can be developed. PMID:26075528

  2. Understanding the importance of "symbolic interaction stigma": How expectations about the reactions of others adds to the burden of mental illness stigma.

    Science.gov (United States)

    Link, Bruce G; Wells, Jennifer; Phelan, Jo C; Yang, Lawrence

    2015-06-01

    Important components of stigma include imagining what others might think of a stigmatized status, anticipating what might transpire in an interaction with others, and rehearsing what one might do if something untoward occurs. These imagined relations are here called symbolic interaction stigma and can have an impact even if the internalization of negative stereotypes fails to occur. Concepts and measures that capture symbolic interaction stigma are introduced, and a preliminary assessment of their impact is provided. Four self-report measures of symbolic interaction stigma (perceived devaluation discrimination, anticipation of rejection, stigma consciousness, and concern with staying in) were developed or adapted and administered to a sample of individuals who have experienced mental illness (N = 65). Regression analyses examined whether forms of symbolic interaction stigma were associated with withdrawal, self-esteem, and isolation from relatives independent of measures of internalization of stigma and rejection experiences. As evidenced by scores on 4 distinct measures, symbolic interaction stigma was relatively common in the sample, somewhat more common than the internalization of stigma. In addition, measures of symbolic interaction stigma were significantly associated with withdrawal, self-esteem, and isolation from relatives even when a measure of the internalization of stigma was statistically controlled. The study suggests the potential importance of considering symbolic interaction forms of stigma in understanding and addressing stigma and its consequences. Being aware of symbolic interaction stigma could be useful in enhancing rehabilitation goals if an approach to counteracting the negative effects of these aspects of stigma can be developed. (c) 2015 APA, all rights reserved).

  3. Study of the properties of leading protons and antiprotons produced in p-barp exclusive reactions at 32 GeV/c

    International Nuclear Information System (INIS)

    Bogolyubskii, M.Y.; Boos, E.G.; Borovikov, A.A.

    1986-01-01

    We study the properties of leading protons and antiprotons from nondiffractive events in p-barp exclusive reactions at 32 GeV/c. It is found that the relative leading of protons and antiprotons does not depend on the final-state multiplicity and that the longitudinal momenta of leading hadrons are not correlated, but a significant part of the transverse momentum of a leading hadron is compensated by the transverse momentum of another hadron. It is shown that these experimental data are well described by the statistical model of independent particle emission but contradict the Lund string-fragmentation model

  4. Establishing the transport properties of QCD with heavy ion reactions. Final Scientific Report for DE-FG02-07ER41524

    International Nuclear Information System (INIS)

    Teaney, Derek

    2008-01-01

    During the time period from 9/1/07 - 3/1/08 the principle investigator was awarded a federal grant from the Department of Energy (DE-FG02-07ER41524) to establish the transport properties of QCD through heavy ion reactions. A relativistic viscous hydrodynamic computer code was developed in 2+1 dimensions which is suitable for extracting the shear viscosity from available heavy ion data. In addition, the transport coefficients of heavy mesons in strongly coupled N = 4 plasmas were determined using the gauge gravity duality. These transport coefficients are suppressed by 1/N c 2 which stymied previous efforts to determine the kinetics of these mesons.

  5. On the influence of various physicochemical properties of the CNTs based implantable devices on the fibroblasts' reaction in vitro.

    Science.gov (United States)

    Benko, Aleksandra; Frączek-Szczypta, Aneta; Menaszek, Elżbieta; Wyrwa, Jan; Nocuń, Marek; Błażewicz, Marta

    2015-11-01

    Coating the material with a layer of carbon nanotubes (CNTs) has been a subject of particular interest for the development of new biomaterials. Such coatings, made of properly selected CNTs, may constitute an implantable electronic device that facilitates tissue regeneration both by specific surface properties and an ability to electrically stimulate the cells. The goal of the presented study was to produce, evaluate physicochemical properties and test the applicability of highly conductible material designed as an implantable electronic device. Two types of CNTs with varying level of oxidation were chosen. The process of coating involved suspension of the material of choice in the diluent followed by the electrophoretic deposition to fabricate layers on the surface of a highly biocompatible metal-titanium. Presented study includes an assessment of the physicochemical properties of the material's surface along with an electrochemical evaluation and in vitro biocompatibility, cytotoxicity and apoptosis studies in contact with the murine fibroblasts (L929) in attempt to answer the question how the chemical composition and CNTs distribution in the layer alters the electrical properties of the sample and whether any of these properties have influenced the overall biocompatibility and stimulated adhesion of fibroblasts. The results indicate that higher level of oxidation of CNTs yielded materials more conductive than the metal they are deposited on. In vitro study revealed that both materials were biocompatible and that the cells were not affected by the amount of the functional group and the morphology of the surface they adhered to.

  6. Passive mechanical properties of rat abdominal wall muscles suggest an important role of the extracellular connective tissue matrix.

    Science.gov (United States)

    Brown, Stephen H M; Carr, John Austin; Ward, Samuel R; Lieber, Richard L

    2012-08-01

    Abdominal wall muscles have a unique morphology suggesting a complex role in generating and transferring force to the spinal column. Studying passive mechanical properties of these muscles may provide insights into their ability to transfer force among structures. Biopsies from rectus abdominis (RA), external oblique (EO), internal oblique (IO), and transverse abdominis (TrA) were harvested from male Sprague-Dawley rats, and single muscle fibers and fiber bundles (4-8 fibers ensheathed in their connective tissue matrix) were isolated and mechanically stretched in a passive state. Slack sarcomere lengths were measured and elastic moduli were calculated from stress-strain data. Titin molecular mass was also measured from single muscle fibers. No significant differences were found among the four abdominal wall muscles in terms of slack sarcomere length or elastic modulus. Interestingly, across all four muscles, slack sarcomere lengths were quite long in individual muscle fibers (>2.4 µm), and demonstrated a significantly longer slack length in comparison to fiber bundles (p resistance to lengthening at long muscle lengths. Titin molecular mass was significantly less in TrA compared to each of the other three muscles (p < 0.0009), but this difference did not correspond to hypothesized differences in stiffness. Copyright © 2012 Orthopaedic Research Society.

  7. Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials

    Science.gov (United States)

    Takano, Yu; Kobayashi, Nobuhiko; Morikawa, Yoshitada

    2018-06-01

    Through computer simulations using atomistic models, it is becoming possible to calculate the atomic structures of localized defects or dopants in semiconductors, chemically active sites in heterogeneous catalysts, nanoscale structures, and active sites in biological systems precisely. Furthermore, it is also possible to clarify physical and chemical properties possessed by these nanoscale structures such as electronic states, electronic and atomic transport properties, optical properties, and chemical reactivity. It is sometimes quite difficult to clarify these nanoscale structure-function relations experimentally and, therefore, accurate computational studies are indispensable in materials science. In this paper, we review recent studies on the relation between local structures and functions for inorganic, organic, and biological systems by using atomistic computer simulations.

  8. Processing development for ceramic structural components: the influence of a presintering of silicon on the final properties of reaction bonded silicon nitride. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    1982-03-01

    The influence of a presintering of silicon on the final properties of reaction bonded silicon nitride has been studied using scanning electron and optical microscopy, x-ray diffraction analysis, 4 pt. bend test, and mecury intrusion porosimetry. It has been shown that presintering at 1050/sup 0/C will not affect the final nitrided properties. At 1200/sup 0/C, the oxide layer is removed, promoting the formation of B-phase silicon nitride. Presintering at 1200/sup 0/C also results in compact weight loss due to the volatilization of silicon, and the formation of large pores which severely reduce nitrided strength. The development of the structure of sintered silicon compacts appears to involve a temperature gradient, with greater sintering observed near the surface.

  9. Thermal effects on the mechanical properties of SiC fiber reinforced reaction bonded silicon nitride matrix (SiC/RBSN) composites

    Science.gov (United States)

    Bhatt, R. T.; Phillips, R. E.

    1988-01-01

    The elevated temperature four-point flexural strength and the room temperature tensile and flexural strength properties after thermal shock were measured for ceramic composites consisting of 30 vol pct uniaxially aligned 142 micron diameter SiC fibers in a reaction bonded Si3N4 matrix. The elevated temperature strengths were measured after 15 min of exposure in air at temperatures to 1400 C. Thermal shock treatment was accomplished by heating the composite in air for 15 min at temperatures to 1200 C and then quenching in water at 25 C. The results indicate no significant loss in strength properties either at temperature or after thermal shock when compared with the strength data for composites in the as-fabricated condition.

  10. Anticancer Properties of an Important Drug Lead Podophyllotoxin Can Be Efficiently Mimicked by Diverse Heterocyclic Scaffolds Accessible via One-Step Synthesis

    Science.gov (United States)

    Magedov, Igor V.; Frolova, Liliya; Manpadi, Madhuri; Bhoga, Uma devi; Tang, Hong; Evdokimov, Nikolai M.; George, Olivia; Georgiou, Kathy Hadje; Renner, Steffen; Getlic, Matthäus; Kinnibrugh, Tiffany L.; Fernandes, Manuel A.; Van slambrouck, Severine; Steelant, Wim F. A.; Shuster, Charles B.; Rogelj, Snezna; van Otterlo, Willem A. L.; Kornienko, Alexander

    2011-01-01

    Structural simplification of an antimitotic natural product podophyllotoxin with mimetic heterocyclic scaffolds constructed using multicomponent reactions led to the identification of compounds exhibiting low nanomolar antiproliferative and apoptosis-inducing properties. The most potent compounds were found in the dihydropyridopyrazole, dihydropyridonaphthalene, dihydropyridoindole and dihydropyridopyrimidine scaffold series. Biochemical mechanistic studies performed with dihydropyridopyrazole compounds showed that these heterocycles inhibit in vitro tubulin polymerization and disrupt the formation of mitotic spindles in dividing cells at low nanomolar concentrations, in a manner similar to podophyllotoxin itself. Separation of a racemic dihydropyridonaphthalene into individual enantiomers demonstrated that only the optical antipode matching the absolute configuration of podophyllotoxin possessed potent anticancer activity. Computer modeling, performed using the podophyllotoxin binding site on beta-tubulin, provided a theoretical understanding of these successful experimental findings. PMID:21615090

  11. Synthesis, Crystal Structures and Properties of Ferrocenyl Bis-Amide Derivatives Yielded via the Ugi Four-Component Reaction.

    Science.gov (United States)

    Zhao, Mei; Shao, Guang-Kui; Huang, Dan-Dan; Lv, Xue-Xin; Guo, Dian-Shun

    2017-05-04

    Ten ferrocenyl bis-amide derivatives were successfully synthesized via the Ugi four-component reaction by treating ferrocenecarboxylic acid with diverse aldehydes, amines, and isocyanides in methanol solution. Their chemical structures were fully characterized by IR, NMR, HR-MS, and X-ray diffraction analyses. They feature unique molecular morphologies and create a 14-membered ring motif in the centro-symmetric dimers generated in the solid state. Moreover, the electrochemical behavior of these ferrocenyl bis-amides was assessed by cyclic voltammetry.

  12. Use of the nonsteady monotonic heating method for complex determination of thermophysical properties of chemically reacting mixture in the case of non-equilibrium proceeding of the chemical reaction

    International Nuclear Information System (INIS)

    Serebryanyj, G.Z.

    1984-01-01

    Theoretical analysis is made for the monotonic heating method as applied for complex determination of thermophysical properties of chemically reacting gases. The possibility is shown of simultaneous determination of frozen and equilibrium heat capacity, frozen and equilibrium heat conduction provided non-equilibrium occuring of the reaction in the wide range of temperatures and pressures. The monotonic heating method can be used for complex determination of thermophysical properties of chemically reacting systems in case of non-equilibrium proceeding of the chemical reaction

  13. Importance of the functional state of alveolar macrophages of the lungs for hygienic evaluation of protective reactions and cell damage due to atmospheric pollution

    Energy Technology Data Exchange (ETDEWEB)

    Tusl, M; Vyskocil, A; Duerrer, I; Aulika, B V; Litvinov, N N; Merkur' eva, R V

    1983-01-01

    Total number of cells, their viability and ability to adhesion were examined in surface alveolar macrophages isolated from rat livers after exposure to sulphur dioxide during 2, 4 and 6 weeks (0.05, 0.5, 1.0 and 5.0 mg/m3); to nitrogen oxide during 5, 8 and 15 hours, 28 and 56 days (19 mg/m3) and to carbon monoxide during 2, 28 and 56 days (0.01% or 10 MAC). In the experiment with exposure to sulphur dioxide, the activity of enzymes of varying localization in the macrophages - soluble in the cytoplasm (lactate dehydrogenase) and connected with subcellular structures - lysosomes (beta-galactosidase, beta-glucosidase and acid phosphatase) was tested by means of biochemical methods in parallel with cytological examinations. Low concentrations of various chemical contaminants of the atmospheric air (sulphur dioxide, nitrogen oxides, carbon monoxide) have an unfavourable biological effect on rats, manifest in the impairment of local immunity, i.e., decreased number of alveolar macrophages, disturbance of their viability and reduced ability of the macrophages to adhesion. At the same time, sulphur dioxide induces enzyme disorganization in lactate dehydrogenase and in a number of lysosomal enzymes of the macrophages. These results serve as a basis for the recommendation of cytobiochemical methods of elaborating methodological approaches to the regulation of environmental factors. Alveolar macrophages as a constituent part of the mononuclear phagocytic system ensuring local non-specific and specific resistance of the organism form one of the most important cellular mechanisms of protection of the organism against the harmful effect of environmental factors including chemical contaminants of the atmospheric air (1, 2).

  14. Effect of substrates on microstructure and mechanical properties of nano-eutectic 1080 steel produced by aluminothermic reaction

    International Nuclear Information System (INIS)

    La, Peiqing; Li, Zhengning; Li, Cuiling; Hu, Sulei; Lu, Xuefeng; Wei, Yupeng; Wei, Fuan

    2014-01-01

    Nano-eutectic bulk 1080 carbon steel was prepared on glass and copper substrates by an aluminothermic reaction casting. The microstructure of the steel was analyzed by an optical microscope, transmission electron microscopy, an electron probe micro-analyzer, a scanning electron microscope and X-ray diffraction. Results show that the microstructure of the steel consisted of a little cementite and lamellar eutectic pearlite. Average lamellar spacing of the pearlite prepared on copper and glass substrates was about 230 nm and 219 nm, respectively. Volume fraction of the pearlite of the two steels was about 95%. Hardness of the steel was about 229 and 270 HV. Tensile strength was about 610 and 641 MPa and tensile elongation was about 15% and 8%. Compressive strength was about 1043 and 1144 MPa. Compared with the steel prepared on copper substrate, the steel prepared on glass substrate had smaller lamellar spacing of the pearlite phase and higher strength, and low ductility due to the smaller spacing. - Highlights: • 1080-carbon steels were successfully prepared by an aluminothermic reaction casting. • Lamellar spacing of the nanoeutetic pearlite is less than 250 nm. • The compressive strength of the steel is about 1144 MPa. • The tensile ductility of the steel is about 15%

  15. An investigation on the electrocatalytic properties of polypyrrole films on the kinetics of oxygen reduction reaction in PEMFC

    Energy Technology Data Exchange (ETDEWEB)

    Saremi, M.; Sharifi Asl, S.; Kazemi, Sh. [Tehran Univ., Tehran (Iran, Islamic Republic of). School of Metallurgy and Material Science Engineering

    2008-07-01

    A proton exchange membrane (PEM) fuel cell has high power density, low weight, very short start-up time and no leakage of electrolytes. However, there are some disadvantages when operating the PEM fuel cell at room temperature. Many studies involving the widespread commercial use of Pt-based electrocatalysts search for low-cost electrocatalysts for the oxygen reduction reaction. In recent years, much attention has been placed on the use of electrocatalysis for the conducting polymer electrode. Polypyrrole has attracted much attention as an advanced conducting material because of its good environmental stability, easy synthesis and high conductivity. This study examined the effect of the polypyrrole catalyst in a PEMFC cathode. The electropolymerization of pyrrole was carried out in a 3-electrode cell using pure hydrogen and oxygen as the reactants. Tests were carried out at room temperature and cell impedance was measured. The polymer was formed galvanostatically in a 0.1 M pyrrole with a 0.15 KCl aqueous solution with a 20 mA/cm{sup 2} current density. The effect of operating voltage and oxygen mass transport was examined by EIS method, which separates these two phenomena. The study showed that polypyrrole has a catalytic effect for oxygen reduction reaction in PEMFC comparable to a Pt catalyzed electrode. Although the cell potential with polypyrrole was slightly lower than a Pt coated cell, it was found to be more economical. 8 refs., 2 figs.

  16. Mn"4"+-activated BaSiF_6 red phosphor: Hydrothermal synthesis and dependence of its luminescent properties on reaction conditions

    International Nuclear Information System (INIS)

    Zhou, Qiang; Zhou, Yayun; Lu, Fengqi; Liu, Yong; Wang, Qin; Luo, Lijun; Wang, Zhengliang

    2016-01-01

    In this work, a series of BaSiF_6:Mn"4"+ red phosphors were synthesized through a hydrothermal route. The crystal structure and morphology were characterized by powder X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), and energy dispersive spectrometer (EDS) in detail. The influence of reaction conditions, including the concentration of KMnO_4 and HF, reaction temperature and time, on the photoluminescence properties were investigated systematically. It can emit intense red light (∼636 nm) under blue light (∼458 nm) illumination. The white LED device based on YAG:Ce–BaSiF_6:Mn"4"+ mixture shows warm white light with low color temperature and high correlated color index, which reveals its potential application in WLED. - Highlights: • The crystal structure of BaSiF_6:Mn"4"+ has been verified using Rietveld refinement. • The optimum hydrothermal reaction condition for BaSiF_6:Mn"4"+ has been confirmed. • The white LED based on YAG:Ce–BaSiF_6:Mn"4"+ mixture presents warmer white light than that only with YAG:Ce.

  17. Mn{sup 4+}-activated BaSiF{sub 6} red phosphor: Hydrothermal synthesis and dependence of its luminescent properties on reaction conditions

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Qiang; Zhou, Yayun [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China); Lu, Fengqi [MOE Key Laboratory of New Processing Technology for Nonferrous Metals and Materials, College of Materials Science and Engineering, Guilin University of Technology, Guilin, 541004 (China); Liu, Yong [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China); Wang, Qin [College of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming, Yunnan, 650500 (China); Luo, Lijun [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China); Wang, Zhengliang, E-mail: wangzhengliang@foxmail.com [Key Laboratory of Comprehensive Utilization of Mineral Resources in Ethnic Regions, Joint Research Centre for International Cross-border Ethnic Regions Biomass Clean Utilization in Yunnan, School of Chemistry & Environment, Yunnan Minzu University, Kunming, 650500 (China)

    2016-02-15

    In this work, a series of BaSiF{sub 6}:Mn{sup 4+} red phosphors were synthesized through a hydrothermal route. The crystal structure and morphology were characterized by powder X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), and energy dispersive spectrometer (EDS) in detail. The influence of reaction conditions, including the concentration of KMnO{sub 4} and HF, reaction temperature and time, on the photoluminescence properties were investigated systematically. It can emit intense red light (∼636 nm) under blue light (∼458 nm) illumination. The white LED device based on YAG:Ce–BaSiF{sub 6}:Mn{sup 4+} mixture shows warm white light with low color temperature and high correlated color index, which reveals its potential application in WLED. - Highlights: • The crystal structure of BaSiF{sub 6}:Mn{sup 4+} has been verified using Rietveld refinement. • The optimum hydrothermal reaction condition for BaSiF{sub 6}:Mn{sup 4+} has been confirmed. • The white LED based on YAG:Ce–BaSiF{sub 6}:Mn{sup 4+} mixture presents warmer white light than that only with YAG:Ce.

  18. Relationship between concentration of health important groups of fatty acids and components and technological properties in cow milk

    Directory of Open Access Journals (Sweden)

    Oto Hanuš

    2010-01-01

    Full Text Available Groups of fatty acids (FAs in milk fat can have positive and negative impact on consumer health. Profile of FAs could be influenced by dairy cow nutrition, breed, milk yield level et cetera. The question is what relationships the FAs could have to quality of milk products? Relationships between FAs and their groups to selected milk indicators were studied in Czech Fleckvieh and Holstein cows (64 bulk milk samples. There were 8 herds in 2-year investigation during winter and summer season. The relationship of saturated FAs (SAFA; 66.22% was significant only to lactose (L content (0.290; P < 0.05. The relationships of monounsaturated FAs (MUFA; 29.21% to milk indicators (MIs were in­si­gni­fi­cant (P > 0.05. The relationships of polyunsaturated FAs (PUFA, beneficial for consumer health; 4.53% to MIs were narrower: fat (T, 0.321; P < 0.05; lactose (L, 0.458; P < 0.01; milk alcohol stability (AL, 0.447; P < 0.01; titration acidity (SH, 0.342; P < 0.01; cheese curd quality (KV, 0.427; P < 0.01; milk fermentationability (JSH, 0.529; P < 0.001, streptococci count in yoghurt (Strepto, 0.316; P < 0.05; total count of noble bacteria in yoghurt (CPMUK, 0.314; P < 0.05; streptococci/lactobacilly ratio (StreptoLacto, 0.356; P < 0.01. The relationships of conjugated linoleic acid (CLA; markedly beneficial for health; 0.68% to MIs were: T (0.379; P < 0.01; L (–0.542; P < 0.001; AL (0.266; P < 0.05; KV (0.411; P < 0.01; Strepto (0.260; P < 0.05; StreptoLacto (0.270; P < 0.05. The higher CLA levels were connected in this way with: higher fat content; lower lactose content; lower alcohol stability; lower streptococci count in yoghurt; lower streptococci/lactobacilly ratio in yoghurt. The PUFA and CLA representation decreased with L increase. Simultaneously some technological milk properties such as alcohol sta­bi­li­ty and fermentationability were slightly improved.

  19. The effect of simulated inflammatory conditions on the surface properties of titanium and stainless steel and their importance as biomaterials

    International Nuclear Information System (INIS)

    Fonseca-García, Abril; Pérez-Alvarez, J.; Barrera, C.C.; Medina, J.C.; Almaguer-Flores, A.; Sánchez, R. Basurto

    2016-01-01

    suffered from a dissolution/oxidation process that allows its integration with the surrounding media, while the SS remained completely passive and this different response might be related to their distinguished clinical outcome. - Highlights: • Comparison of the surface properties of titanium and stainless steel was done. • Titanium was more affected in the inflammatory conditions than stainless steel. • The H_2O_2 induced the growth of the oxide layer in both metals. • The polar component had an opposite change among both metals. • The immersion in H_2O_2 induced dissolution–oxidation of Ti.

  20. Effects of excipients on the tensile strength, surface properties and free volume of Klucel{sup ®} free films of pharmaceutical importance

    Energy Technology Data Exchange (ETDEWEB)

    Gottnek, Mihály [Department of Pharmaceutical Technology, University of Szeged, Eötvös utca 6, H-6720 Szeged (Hungary); Süvegh, Károly [Laboratory of Nuclear Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary); Pintye-Hódi, Klára [Department of Pharmaceutical Technology, University of Szeged, Eötvös utca 6, H-6720 Szeged (Hungary); Regdon, Géza [Department of Pharmaceutical Technology, University of Szeged, Eötvös utca 6, H-6720 Szeged (Hungary)

    2013-08-15

    The physicochemical properties of polymers planned to be applied as mucoadhesive films were studied. Two types of Klucel{sup ®} hydroxypropylcellulose (LF and MF) were used as film-forming polymers. Hydroxypropylcellulose was incorporated in 2 w/w% with glycerol and xylitol as excipients and lidocaine base as an active ingredient at 5, 10 or 15 w/w% of the mass of the film-forming polymer. The free volume changes of the films were investigated by positron annihilation lifetime spectroscopy, the mechanical properties of the samples were measured with a tensile strength tester and contact angles were determined to assess the surface properties of the films. It was found that the Klucel{sup ®} MF films had better physicochemical properties than those of the LF films. Klucel{sup ®} MF as a film-forming polymer with lidocaine base and both excipients at 5 w/w% exhibited physicochemical properties and good workability. The excipients proved to exert strong effects on the physicochemical properties of the tested systems and it is very important to study them intensively in preformulation studies in the pharmaceutical technology in order to utilise their benefits and to avoid any disadvantageous effects. - Highlights: • Glycerol increases, whereas xylitol decreases the free volume of both LF and MF HPC. • Both xylitol and glycerol increase the tensile strength of MF films. • The tensile strength of the MF product makes it suitable for pharmaceutical use. • The surface properties reveal a macroscopically stable film structure. • All measurements indicate a macroscopically homogeneous film structure.

  1. Effects of excipients on the tensile strength, surface properties and free volume of Klucel® free films of pharmaceutical importance

    International Nuclear Information System (INIS)

    Gottnek, Mihály; Süvegh, Károly; Pintye-Hódi, Klára; Regdon, Géza

    2013-01-01

    The physicochemical properties of polymers planned to be applied as mucoadhesive films were studied. Two types of Klucel ® hydroxypropylcellulose (LF and MF) were used as film-forming polymers. Hydroxypropylcellulose was incorporated in 2 w/w% with glycerol and xylitol as excipients and lidocaine base as an active ingredient at 5, 10 or 15 w/w% of the mass of the film-forming polymer. The free volume changes of the films were investigated by positron annihilation lifetime spectroscopy, the mechanical properties of the samples were measured with a tensile strength tester and contact angles were determined to assess the surface properties of the films. It was found that the Klucel ® MF films had better physicochemical properties than those of the LF films. Klucel ® MF as a film-forming polymer with lidocaine base and both excipients at 5 w/w% exhibited physicochemical properties and good workability. The excipients proved to exert strong effects on the physicochemical properties of the tested systems and it is very important to study them intensively in preformulation studies in the pharmaceutical technology in order to utilise their benefits and to avoid any disadvantageous effects. - Highlights: • Glycerol increases, whereas xylitol decreases the free volume of both LF and MF HPC. • Both xylitol and glycerol increase the tensile strength of MF films. • The tensile strength of the MF product makes it suitable for pharmaceutical use. • The surface properties reveal a macroscopically stable film structure. • All measurements indicate a macroscopically homogeneous film structure

  2. Geometric and mechanical properties evaluation of scaffolds for bone tissue applications designing by a reaction-diffusion models and manufactured with a material jetting system

    Directory of Open Access Journals (Sweden)

    Marco A. Velasco

    2016-10-01

    Full Text Available Scaffolds are essential in bone tissue engineering, as they provide support to cells and growth factors necessary to regenerate tissue. In addition, they meet the mechanical function of the bone while it regenerates. Currently, the multiple methods for designing and manufacturing scaffolds are based on regular structures from a unit cell that repeats in a given domain. However, these methods do not resemble the actual structure of the trabecular bone which may work against osseous tissue regeneration. To explore the design of porous structures with similar mechanical properties to native bone, a geometric generation scheme from a reaction-diffusion model and its manufacturing via a material jetting system is proposed. This article presents the methodology used, the geometric characteristics and the modulus of elasticity of the scaffolds designed and manufactured. The method proposed shows its potential to generate structures that allow to control the basic scaffold properties for bone tissue engineering such as the width of the channels and porosity. The mechanical properties of our scaffolds are similar to trabecular tissue present in vertebrae and tibia bones. Tests on the manufactured scaffolds show that it is necessary to consider the orientation of the object relative to the printing system because the channel geometry, mechanical properties and roughness are heavily influenced by the position of the surface analyzed with respect to the printing axis. A possible line for future work may be the establishment of a set of guidelines to consider the effects of manufacturing processes in designing stages.

  3. Implications of Partial Conjugation of Whey Protein Isolate to Durian Seed Gum through Maillard Reactions: Foaming Properties, Water Holding Capacity and Interfacial Activity

    Directory of Open Access Journals (Sweden)

    Bahareh Tabatabaee Amid

    2013-12-01

    Full Text Available This paper deals with the conjugation of durian seed gum (DSG with whey protein isolate (WPI through Maillard reactions. Subsequently, the functional properties of durian seed gum in the non-conjugated (control sample and conjugated forms were compared with several commercial gums (i.e., Arabic gum, sodium alginate, kappa carrageenan, guar gum, and pectin. The current study revealed that the conjugation of durian seed gum with whey protein isolate significantly (p < 0.05 improved its foaming properties. In this study, the conjugated durian seed gum produced the most stable foam among all samples. On the other hand, the emulsion stabilized with the conjugated durian seed gum also showed more uniform particles with a larger specific surface area than the emulsion containing the non-conjugated durian seed gum. The conjugated durian seed gum showed significant different foaming properties, specific surface area, particle uniformity and water holding capacity (WHC as compared to the target polysaccharide gums. The conjugated durian seed gum showed more similar functional properties to Arabic gum rather than other studied gums.

  4. Effects of Interface Coating and Nitride Enhancing Additive on Properties of Hi-Nicalon SiC Fiber Reinforced Reaction-Bonded Silicon Nitride Composites

    Science.gov (United States)

    Bhatt, Ramakrishana T.; Hull, David R.; Eldridge, Jeffrey I.; Babuder, Raymond

    2000-01-01

    Strong and tough Hi-Nicalon SiC fiber reinforced reaction-bonded silicon nitride matrix composites (SiC/ RBSN) have been fabricated by the fiber lay-up approach. Commercially available uncoated and PBN, PBN/Si-rich PBN, and BN/SiC coated SiC Hi-Nicalon fiber tows were used as reinforcement. The composites contained approximately 24 vol % of aligned 14 micron diameter SiC fibers in a porous RBSN matrix. Both one- and two-dimensional composites were characterized. The effects of interface coating composition, and the nitridation enhancing additive, NiO, on the room temperature physical, tensile, and interfacial shear strength properties of SiC/RBSN matrix composites were evaluated. Results indicate that for all three coated fibers, the thickness of the coatings decreased from the outer periphery to the interior of the tows, and that from 10 to 30 percent of the fibers were not covered with the interface coating. In the uncoated regions, chemical reaction between the NiO additive and the SiC fiber occurs causing degradation of tensile properties of the composites. Among the three interface coating combinations investigated, the BN/SiC coated Hi-Nicalon SiC fiber reinforced RBSN matrix composite showed the least amount of uncoated regions and reasonably uniform interface coating thickness. The matrix cracking stress in SiC/RBSN composites was predicted using a fracture mechanics based crack bridging model.

  5. In vitro antimicrobial properties of plant essential oils thymus vulgaris, cymbopogon citratus and laurus nobilis against five important foodborne pathogens

    Directory of Open Access Journals (Sweden)

    Alessandra Farias Millezi

    2012-03-01

    Full Text Available Several essential oils of condiment and medicinal plants possess proven antimicrobial activity and are of important interest for the food industry. Therefore, the Minimum Inhibitory Concentrations (MIC of those oils should be determined for various bacteria. MIC varies according to the oil used, the major compounds, and the physiology of the bacterium under study. In the present study, the essential oils of the plants Thymus vulgaris (time, Cymbopogon citratus (lemongrass and Laurus nobilis (bay were chemically quantified, and the MIC was determined on the bacteria Staphylococcus aureus ATCC 25923, Escherichia coli ATCC 25922, Listeria monocytogenes ATCC 19117, Salmonella enterica Enteritidis S64, and Pseudomonas aeruginosa ATCC 27853. The essential oil of C. citratus demonstrated bacterial activity at all concentrations tested and against all of the bacteria tested. The majority of essential oil compounds were geranial and neral. The major constituent of T. vulgaris was 1.8-cineol and of L. nobilis was linalool, which presented lower antibacterial activity, followed by 1.8-cineol. The Gram-negative bacteria demonstrated higher resistance to the use of the essential oils tested in this study. E. coli was the least sensitive and was inhibited only by the oils of C. citratus and L. nobilis.

  6. Thermodynamics of random reaction networks.

    Directory of Open Access Journals (Sweden)

    Jakob Fischer

    Full Text Available Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  7. Thermodynamics of random reaction networks.

    Science.gov (United States)

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  8. The Pictet-Spengler reaction in solid-phase combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, Thomas E; Diness, Frederik; Meldal, Morten

    2003-01-01

    The Pictet-Spengler reaction is an important reaction for the generation of tetrahydro-beta-carbolines and tetrahydroisoquinoline ring systems, which exhibit a range of biological and pharmacological properties. This review covers the solid-phase Pictet-Spengler reaction, as employed in solid...

  9. The effect of simulated inflammatory conditions on the surface properties of titanium and stainless steel and their importance as biomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Fonseca-García, Abril [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México (Mexico); Posgrado en Ciencia e Ingeniería de Materiales, Universidad Nacional Autónoma de México, México (Mexico); Pérez-Alvarez, J. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México (Mexico); Barrera, C.C. [Posgrado en Ciencias Médicas, Odontológicas y de la Salud, Universidad Nacional Autónoma de México, México (Mexico); Medina, J.C. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México (Mexico); Posgrado en Ciencia e Ingeniería de Materiales, Universidad Nacional Autónoma de México, México (Mexico); Almaguer-Flores, A. [Facultad de Odontología, Universidad Nacional Autónoma de México, México (Mexico); Sánchez, R. Basurto [Instituto Nacional de Investigaciones Nucleares, México (Mexico); and others

    2016-09-01

    observed on the SS. The cpTi surface suffered from a dissolution/oxidation process that allows its integration with the surrounding media, while the SS remained completely passive and this different response might be related to their distinguished clinical outcome. - Highlights: • Comparison of the surface properties of titanium and stainless steel was done. • Titanium was more affected in the inflammatory conditions than stainless steel. • The H{sub 2}O{sub 2} induced the growth of the oxide layer in both metals. • The polar component had an opposite change among both metals. • The immersion in H{sub 2}O{sub 2} induced dissolution–oxidation of Ti.

  10. Elucidation of the structure-property relationship of p-type organic semiconductors through rapid library construction via a one-pot, Suzuki-Miyaura coupling reaction.

    Science.gov (United States)

    Fuse, Shinichiro; Matsumura, Keisuke; Wakamiya, Atsushi; Masui, Hisashi; Tanaka, Hiroshi; Yoshikawa, Susumu; Takahashi, Takashi

    2014-09-08

    The elucidation of the structure-property relationship is an important issue in the development of organic electronics. Combinatorial synthesis and the evaluation of systematically modified compounds is a powerful tool in the work of elucidating structure-property relationships. In this manuscript, D-π-A structure, 32 p-type organic semiconductors were rapidly synthesized via a one-pot, Suzuki-Miyaura coupling with subsequent Knoevenagel condensation. Evaluation of the solubility and photovoltaic properties of the prepared compounds revealed that the measured solubility was strongly correlated with the solubility parameter (SP), as reported by Fedors. In addition, the SPs were correlated with the Jsc of thin-film organic solar cells prepared using synthesized compounds. Among the evaluated photovoltaic properties of the solar cells, Jsc and Voc had strong correlations with the photoconversion efficiency (PCE).

  11. Reaction of bis[(2-chlorocarbonylphenyl] Diselenide with Phenols, Aminophenols, and Other Amines towards Diphenyl Diselenides with Antimicrobial and Antiviral Properties

    Directory of Open Access Journals (Sweden)

    Mirosław Giurg

    2017-06-01

    Full Text Available A reaction of bis[(2-chlorocarbonylphenyl] diselenide with various mono and bisnucleophiles such as aminophenols, phenols, and amines have been studied as a convenient general route to a series of new antimicrobial and antiviral diphenyl diselenides. The compounds, particularly bis[2-(hydroxyphenylcarbamoyl]phenyl diselenides and reference benzisoselenazol-3(2H-ones, exhibited high antimicrobial activity against Gram-positive bacterial species (Enterococcus spp., Staphylococcus spp., and some compounds were also active against Gram-negative E. coli and fungi (Candida spp., A. niger. The majority of compounds demonstrated high activity against human herpes virus type 1 (HHV-1 and moderate activity against encephalomyocarditis virus (EMCV, while they were generally inactive against vesicular stomatitis virus (VSV.

  12. Catalytic activity in reactions of isotopic exchange of carbon monoxide and adsorption properties of catalysts on zinc oxide base

    International Nuclear Information System (INIS)

    Mikheeva, T.M.; Kasatkina, L.A.; Volynkina, A.Ya.

    1987-01-01

    Activity of different zinc oxide samples in reaction of CO homomolecular isotopic exchnge (HMIE) ( 13 C 18 O+ 12 C 16 O= 13 C 16 O+ 12 C 18 O), CO adsorption on ZnO and isotopic exchange between adsorbed and gaseous CO are investigated. The most active is ZnO sample prepared from ZnCO 3 . Quantitative ratio between different with respect to surface strength molecules of adsorbed CO are experimentally determined. It is shown that by increase of ZnO time contact with CO the quantity of adsorbed CO(N σ/0 ), capable of fast exchange with a gaseous phase, is reduced and the quantity of slowly exchanged adsorbed CO is increased. Correlation between decrease of N σ/0 and decrease of CO HMIE with the catalyst holding time in CO medium is stated

  13. The V3+-V5+ redox equilibrium reaction and magnetic properties of vanadium ions in binary alkali silicate glasses

    International Nuclear Information System (INIS)

    Singh, R.S.; Singh, S.P.

    2000-01-01

    The oxidation-reduction equilibrium in binary alkali silicate glasses containing V 3+ , V 4+ and V 5+ ions was studied at 1400 degC in air atmosphere. The ionic equation representing the V 3+ -V 5+ redox equilibrium reaction was used to represent the V 3+ -V 4+ -V 5+ redox reactions in glasses as V 4+ ion was an intermediate species. The V 3+ -V 5+ redox equilibrium was found to shift more towards the oxidized state with the increasing ionic radii of alkali ions or with the increasing concentration of alkali oxide in the same series of glasses. The slopes of the straight lines obtained on plotting log ([V 5+ ]/[V 3+ ][pO 2 ] 1/2 ) against mol% R 2 O (R + = Li + , Na + and K + ions) in binary alkali silicate glasses were approximately inversely proportional to the coulombic force between the alkali ions and nonbridging oxygen ions. This indicates the redox equilibrium shifted more towards oxidized state with increasing oxygen ion activity in the glass. The loss of vanadium from the glass melts with the duration of heat treatment was observed due to volatilization at high temperature, which did not influence the V 3+ -V 5+ redox equilibrium. Magnetic susceptibility of the present glasses, measured at room temperature, did not show any sign of paramagnetism which might be due to the presence of smaller concentration of V 3+ and V 4+ ions in the glass. Further, it indicated a strong diamagnetism because of the presence of higher proportion of vanadium in pentavalent state in the glasses. However, the optical absorption spectra or a silicate glass containing ions of vanadium indicated the presence of V 3+ , V 4+ and V 5+ ions. (author)

  14. Synthesis, characterization and catalytic properties of nanocrystaline Y{sub 2}O{sub 3}-coated TiO{sub 2} in the ethanol dehydration reaction

    Energy Technology Data Exchange (ETDEWEB)

    Fajardo, Humberto Vieira [Universidade Federal de Ouro Preto (UFOP), MG (Brazil). Departamento de Quimica; Longo, Elson [Universidade Estadual Paulista (UNESP), Araraquara, SP (Brazil). Departamento de Fisico-Quimica; Leite, Edson Roberto; Libanori, Rafael [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Departamento de Quimica; Probst, Luiz Fernando Dias [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Departamento de Quimica; Carreno, Neftali Lenin Villarreal [Universidade Federal de Pelotas (UFPel), RS (Brazil). Departamento de Quimica Analitica e Inorganica

    2012-03-15

    In the present study, TiO{sub 2} nano powder was partially coated with Y{sub 2}O{sub 3} precursors generated by a sol-gel modified route. The system of nanocoated particles formed an ultra thin structure on the TiO{sub 2} surfaces. The modified nanoparticles were characterized by high resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD) analysis, Zeta potential and surface area through N{sub 2} physisorption measurements. Bioethanol dehydration was used as a probe reaction to investigate the modifications on the nanoparticles surface. The process led to the obtainment of nanoparticles with important surface characteristics and catalytic behavior in the bioethanol dehydration reaction, with improved activity and particular selectivity in comparison to their non-coated analogs. The ethylene production was disfavored and selectivity toward acetaldehyde, hydrogen and ethane increased over modified nanoparticles. (author)

  15. Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

    Science.gov (United States)

    Zhang, Zhenxin; Huang, Kaijin; Yuan, Fangli; Xie, Changsheng

    2014-05-01

    The detection of trichloroethylene has attracted much attention because it has an important effect on human health. The sensitivity of the SnO2 flat-type coplanar gas sensor arrays to 100 ppm trichloroethylene in air was investigated. The adsorption and surface reactions of trichloroethylene were investigated at 100-200 °C by in-situ diffuse reflection Fourier transform infrared spectroscopy (DIRFTS) on SnO2 films. Molecularly adsorbed trichloroethylene, dichloroacetyl chloride (DCAC), phosgene, HCl, CO, H2O, CHCl3, Cl2 and CO2 surface species are formed during trichloroethylene adsorption at 100-200 °C. A possible mechanism of the reaction process is discussed.

  16. Synthesis, characterization and catalytic properties of nanocrystaline Y2O3-coated TiO2 in the ethanol dehydration reaction

    International Nuclear Information System (INIS)

    Fajardo, Humberto Vieira; Longo, Elson; Leite, Edson Roberto; Libanori, Rafael; Probst, Luiz Fernando Dias; Carreno, Neftali Lenin Villarreal

    2012-01-01

    In the present study, TiO 2 nano powder was partially coated with Y 2 O 3 precursors generated by a sol-gel modified route. The system of nanocoated particles formed an ultra thin structure on the TiO 2 surfaces. The modified nanoparticles were characterized by high resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD) analysis, Zeta potential and surface area through N 2 physisorption measurements. Bioethanol dehydration was used as a probe reaction to investigate the modifications on the nanoparticles surface. The process led to the obtainment of nanoparticles with important surface characteristics and catalytic behavior in the bioethanol dehydration reaction, with improved activity and particular selectivity in comparison to their non-coated analogs. The ethylene production was disfavored and selectivity toward acetaldehyde, hydrogen and ethane increased over modified nanoparticles. (author)

  17. Synthesis, characterization and catalytic properties of nanocrystaline Y2O3-coated TiO2 in the ethanol dehydration reaction

    Directory of Open Access Journals (Sweden)

    Humberto Vieira Fajardo

    2012-04-01

    Full Text Available In the present study, TiO2 nanopowder was partially coated with Y2O3 precursors generated by a sol-gel modified route. The system of nanocoated particles formed an ultra thin structure on the TiO2 surfaces. The modified nanoparticles were characterized by high resolution transmission electron microscopy (HR-TEM, X-ray diffraction (XRD analysis, Zeta potential and surface area through N2 fisisorption measurements. Bioethanol dehydration was used as a probe reaction to investigate the modifications on the nanoparticles surface. The process led to the obtainment of nanoparticles with important surface characteristics and catalytic behavior in the bioethanol dehydration reaction, with improved activity and particular selectivity in comparison to their non-coated analogs. The ethylene production was disfavored and selectivity toward acetaldehyde, hydrogen and ethane increased over modified nanoparticles.

  18. Importance of biogeomorphic and spatial properties in assessing a tidal salt marsh vulnerability to sea-level rise

    Science.gov (United States)

    Thorne, Karen M.; Elliott-Fisk, Deborah L.; Wylie, Glenn D.; Perry, William M.; Takekawa, John Y.

    2014-01-01

    We evaluated the biogeomorphic processes of a large (309 ha) tidal salt marsh and examined factors that influence its ability to keep pace with relative sea-level rise (SLR). Detailed elevation data from 1995 and 2008 were compared with digital elevation models (DEMs) to assess marsh surface elevation change during this time. Overall, 37 % (113 ha) of the marsh increased in elevation at a rate that exceeded SLR, whereas 63 % (196 ha) of the area did not keep pace with SLR. Of the total area, 55 % (169 ha) subsided during the study period, but subsidence varied spatially across the marsh surface. To determine which biogeomorphic and spatial factors contributed to measured elevation change, we collected soil cores and determined percent and origin of organic matter (OM), particle size, bulk density (BD), and distance to nearest bay edge, levee, and channel. We then used Akaike Information Criterion (AICc) model selection to assess those variables most important to determine measured elevation change. Soil stable isotope compositions were evaluated to assess the source of the OM. The samples had limited percent OM by weight (-3, indicating that the soils had high mineral content with a relatively low proportion of pore space. The most parsimonious model with the highest AICc weight (0.53) included distance from bay's edge (i.e., lower intertidal) and distance from levee (i.e., upper intertidal). Close proximity to sediment source was the greatest factor in determining whether an area increased in elevation, whereas areas near landward levees experienced subsidence. Our study indicated that the ability of a marsh to keep pace with SLR varied across the surface, and assessing changes in elevation over time provides an alternative method to long-term accretion monitoring. SLR models that do not consider spatial variability of biogeomorphic and accretion processes may not correctly forecast marsh drowning rates, which may be especially true in modified and urbanized

  19. A theoretical study of the atmospherically important radical-radical reaction BrO + HO2; the product channel O2(a1Δg) + HOBr is formed with the highest rate.

    Science.gov (United States)

    Chow, Ronald; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

    2016-11-09

    A theoretical study has been made of the BrO + HO 2 reaction, a radical-radical reaction which contributes to ozone depletion in the atmosphere via production of HOBr. Reaction enthalpies, activation energies and mechanisms have been determined for five reaction channels. Also rate coefficients have been calculated, in the atmospherically important temperature range 200-400 K, for the two channels with the lowest activation energies, both of which produce HOBr: (R1a) HOBr(X 1 A') + O 2 (X 3 Σ) and (R1b) HOBr(X 1 A') + O 2 (a 1 Δ g ). The other channels considered are: (R2) BrO + HO 2 → HBr + O 3 , (R3) BrO + HO 2 → OBrO + OH and (R4) BrO + HO 2 → BrOO + OH. For all channels, geometry optimization and frequency calculations were carried out at the M06-2X/AVDZ level, while relative energies of the stationary points on the reaction surface were improved at a higher level (BD(TQ)/CBS or CCSD(T)/CBS). The computed standard reaction enthalpies (ΔH) for channels (R1a), (R1b), (R2), (R3) and (R4) are -47.5, -25.0, -4.3, 14.9 and 5.9 kcal mol -1 , and the corresponding computed activation energies (ΔE) are 2.53, -3.07, 11.83, 35.0 and 37.81 kcal mol -1 . These values differ significantly from those obtained in earlier work by Kaltsoyannis and Rowley (Phys. Chem. Chem. Phys., 2002, 4, 419-427), particularly for channel (R1b), and reasons for this are discussed. In particular, the importance of obtaining an open-shell singlet wavefunction, rather than a closed-shell singlet wavefunction, for the transition state of this channel is emphasized. Rate coefficient calculations from computed potential energy surfaces were made for BrO + HO 2 for the first time. Although channel (R1a) is the most exothermic, channel (R1b) has the lowest barrier height, which is negative (at -3.07 kcal mol -1 ). Most rate coefficient calculations were therefore made for (R1b). A two transition state model has been used, involving an outer and an inner transition state. The inner transition

  20. Sol-gel reaction stability studied: Influence in the formation temperature and properties of ferroelectric thin films

    International Nuclear Information System (INIS)

    Perez, J.; Vilarinho, P.M.; Kholkin, A.L.; Almeida, A.

    2009-01-01

    Lead zirconium titanate (PZT) sol-gel solutions were prepared based on distilled lead acetate precursor solutions. A detailed analysis of the distillation effect on the lead precursor and the final PZT solution were carried out by Infrared and Raman techniques. It was found that the increase in the number of distillation steps experienced by the lead precursor solutions removes the constitutional water and increases the lead acetate-2-methoxyethanol interconnectivity; thus improving stability and avoiding the aging effect of the resulting PZT solutions. The thermal decomposition process of the PZT solutions was analyzed based on the thermogravimetric (TG) and differential thermogravimetric analysis (DTA) measurements. It was found that as the number of distillation steps in the lead precursor solutions increases, the decomposition rate increases and the formation temperature of pure perovskite PZT films decreases. X-ray diffraction (XRD) technique was used to study the film phase formation. A pure perovskite phase at 500 deg. C was found by the XRD analysis after the second distillation step. Scanning electron microscope technique was used to carry out the microstructural analysis. Dense microstructure was found in all analyzed films and an incipient columnar grain growth was revealed in PZT films prepared based on lead precursor solution with more than three distillation steps. The dependence of the dielectric, ferroelectric and piezoelectric properties on the number of distillation steps was revealed and a correlation between the distillation process, film microstructure properties and electrical performance was established

  1. A DIAMANT Wedding For AFRODITE: Probing Structure and Characterizing Reaction Properties Via Charged-Particle-γ Correlations

    International Nuclear Information System (INIS)

    Mullins, S. M.; Murray, S. H. T.; Bark, R. A.; Gueorguieva, E.; Lawrie, J. J.; Lieder, E. O.; Lieder, R. M.; Papka, P.; Nyako, B. M.; Timar, J.; Berek, G.; Gal, J.; Kalinka, G.; Molnar, J.; Krasznahorkay, A.; Zolnai, L.; Juhasz, K.; Lipoglavsek, M.; Ntshangase, S. S.; Scheurer, J. N.

    2008-01-01

    The DIAMANT-AFRODITE combination has been used to investigate incomplete fusions reactions via the 13 C+ 170 Er entrance channel. The intensity of 176 Hf (populated via the α 3n exit channel) is ∼8% of 178 W (populated via 5n evaporation) which is ∼8 times stronger than that expected from complete fusion. Moreover, 2αxn exit channels leading to Yb nuclei are observed with intensities that are ∼30-to-40% of 176 Hf, for which no yield is expected from complete fusion. A comparison of the intensities from the two-α- and one-α-gated data is consistent with fragmentation of the 13 C beam into (α-α-α-n) which suggests that the population of Yb nuclei results from fusion (or ''massive transfer'') of one the break-up α-particles. A campaign of measurements is scheduled for late 2007 with further investigations planned for 2008, including the continuation of the study of superdeformation in 32 S

  2. Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules—Search Options and Applications in Food Science

    Directory of Open Access Journals (Sweden)

    Piotr Minkiewicz

    2016-12-01

    Full Text Available Internet databases of small molecules, their enzymatic reactions, and metabolism have emerged as useful tools in food science. Database searching is also introduced as part of chemistry or enzymology courses for food technology students. Such resources support the search for information about single compounds and facilitate the introduction of secondary analyses of large datasets. Information can be retrieved from databases by searching for the compound name or structure, annotating with the help of chemical codes or drawn using molecule editing software. Data mining options may be enhanced by navigating through a network of links and cross-links between databases. Exemplary databases reviewed in this article belong to two classes: tools concerning small molecules (including general and specialized databases annotating food components and tools annotating enzymes and metabolism. Some problems associated with database application are also discussed. Data summarized in computer databases may be used for calculation of daily intake of bioactive compounds, prediction of metabolism of food components, and their biological activity as well as for prediction of interactions between food component and drugs.

  3. Study on Sensory Quality, Antioxidant Properties, and Maillard Reaction Products Formation in Rye-Buckwheat Cakes Enhanced with Selected Spices

    Directory of Open Access Journals (Sweden)

    Małgorzata Przygodzka

    2015-01-01

    Full Text Available The effect of selected spices included in the recipe of rye-buckwheat cakes on sensory quality, nutritional value, and Maillard reaction (MR products formation was addressed in this study. The cakes with cloves, nutmeg, allspice, cinnamon, vanilla, and spice mix addition revealed the highest overall quality values. Cakes enriched with cloves, allspice, and spice mix showed the highest rutin content and almost threefold higher available lysine contents whereas cakes enhanced with mix, cloves, and cinnamon were the richest source of phenolic compounds. The highest antioxidant capacity showed cakes with cloves and spice mix. The furosine, a marker of early stage of MR, was decreased in cakes with cloves, allspice, spice mix, and vanilla whereas fluorescent intermediatory compounds were reduced in cakes enhanced with cloves, allspice, and cinnamon. In contrast, browning index was increased as compared to cakes without spices. The FAST index was significantly lowered in all cakes enriched with spices, especially with cloves, allspice, and mix addition. The presence of cloves, allspice, and vanilla in cake formula was the most efficient in acrylamide strategy. It can be suggested that cloves, allspice, and vanilla might be used for production of safety and good quality cakes.

  4. Optical and structural properties of zinc oxide films with different thicknesses prepared by successive ionic layer adsorption and reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Taner, Ahmet, E-mail: ataner@anadolu.edu.tr [Institute of Science and Technology, Anadolu University, Eskisehir 26470 (Turkey); Kul, Metin; Turan, Evren; Aybek, A. Senol; Zor, Muhsin [Department of Physics, Anadolu University, Eskisehir 26470 (Turkey); Taskoeprue, Turan [Department of Physics, Anadolu University, Eskisehir 26470 (Turkey); Department of Physics, Cank Latin-Small-Letter-Dotless-I r Latin-Small-Letter-Dotless-I Karatekin University, Cank Latin-Small-Letter-Dotless-I r Latin-Small-Letter-Dotless-I 18100 (Turkey)

    2011-12-01

    In this work, zinc oxide semiconducting films belonging to the II-VI group have been produced by successive ionic layer adsorption and reaction (SILAR) method on glass substrates with 10, 15, 20 and 25 cycles at room temperature. Following the deposition, the samples were dried in air at 400 Degree-Sign C for 1 h. The films were characterized by X-ray diffraction, field emission scanning electron microscopy and optical absorption measurement techniques. The X-ray diffractions of the films showed that they are hexagonal in structure. The crystallite size of ZnO films varied between 34 and 38 nm accordingly with the number of SILAR cycles. The material has exhibited direct band gap transition with the band gap values lying in the range between 3.13 and 3.18 eV. The red shift is observed in the absorption edge as the cycles increased. Transmission of the films decreased from 65 to 40% with increasing the number of cycles.

  5. Optical and structural properties of zinc oxide films with different thicknesses prepared by successive ionic layer adsorption and reaction method

    International Nuclear Information System (INIS)

    Taner, Ahmet; Kul, Metin; Turan, Evren; Aybek, A. Şenol; Zor, Muhsin; Taşköprü, Turan

    2011-01-01

    In this work, zinc oxide semiconducting films belonging to the II-VI group have been produced by successive ionic layer adsorption and reaction (SILAR) method on glass substrates with 10, 15, 20 and 25 cycles at room temperature. Following the deposition, the samples were dried in air at 400 °C for 1 h. The films were characterized by X-ray diffraction, field emission scanning electron microscopy and optical absorption measurement techniques. The X-ray diffractions of the films showed that they are hexagonal in structure. The crystallite size of ZnO films varied between 34 and 38 nm accordingly with the number of SILAR cycles. The material has exhibited direct band gap transition with the band gap values lying in the range between 3.13 and 3.18 eV. The red shift is observed in the absorption edge as the cycles increased. Transmission of the films decreased from 65 to 40% with increasing the number of cycles.

  6. Large-Scale Fabrication of Boron Nitride Nanotubes via a Facile Chemical Vapor Reaction Route and Their Cathodoluminescence Properties

    Directory of Open Access Journals (Sweden)

    Zhong Bo

    2011-01-01

    Full Text Available Abstract Cylinder- and bamboo-shaped boron nitride nanotubes (BNNTs have been synthesized in large scale via a facile chemical vapor reaction route using ammonia borane as a precursor. The structure and chemical composition of the as-synthesized BNNTs are extensively characterized by X-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy, and selected-area electron diffraction. The cylinder-shaped BNNTs have an average diameter of about 100 nm and length of hundreds of microns, while the bamboo-shaped BNNTs are 100–500 nm in diameter with length up to tens of microns. The formation mechanism of the BNNTs has been explored on the basis of our experimental observations and a growth model has been proposed accordingly. Ultraviolet–visible and cathodoluminescence spectroscopic analyses are performed on the BNNTs. Strong ultraviolet emissions are detected on both morphologies of BNNTs. The band gap of the BNNTs are around 5.82 eV and nearly unaffected by tube morphology. There exist two intermediate bands in the band gap of BNNTs, which could be distinguishably assigned to structural defects and chemical impurities. Additional file 1 Click here for file

  7. Study of ignition possibility, development and properties of self-sustaining nuclear chain reaction in the fuel-containing masses of the object “Ukryttya”

    Directory of Open Access Journals (Sweden)

    V. A. Babenko

    2017-12-01

    Full Text Available Main characteristic properties of ignition and development of self-sustaining nuclear chain reaction (SCR in the fuel-containing masses (FCM of the object “Ukryttya”, and also the main properties of SCR for a number of its typical essentially possible modes were studied. System of differential equations for the main physical quantities describing FCM was formulated. Numerical analysis and calculations according to this system show that the main possible modes of SCR are exponential growth of the neutron flux, mode of the solitary neutron flux burst of differing strength, and also mode of the neutron flux oscillations. Mode of the flux oscillations is of great interest and exhibits various properties. According to calculations, the neutron flux burst of extremely high strength appears to be possible under some likely and reasonable physical conditions in presence of the sufficient accumulation of fissile materials. But the most realistic and close to the experiment mode of SCR appears to be the mode of slow growth of the neutron flux progressively, as the system is flooded by water, and further subsequent transition into the mode of the neutron flux oscillations in the neighbourhood of the critical state.

  8. Ultrafiltration and thermal processing effects on Maillard reaction products and biological properties of date palm sap syrups (Phoenix dactylifera L.).

    Science.gov (United States)

    Makhlouf-Gafsi, Ines; Krichen, Fatma; Mansour, Riadh Ben; Mokni, Abir; Sila, Assad; Bougatef, Ali; Blecker, Christophe; Attia, Hamadi; Besbes, Souhail

    2018-08-01

    The effect of ultrafiltration process and temperature concentration on MRPs content and antioxidant, antimicrobial and cytotoxic properties of date palm sap syrups were investigated. MRPs were analyzed by HPLC. Antioxidant activity was evaluated by reducing power and DPPH free radical and H 2 O 2 scavenging activities. Antimicrobial activity was evaluated by the agar disk diffusion method. In vitro cytotoxic activity was examined by cell proliferation assay. Date sap syrups displayed strong antioxidant activities which are correlated 5HMF and 2F contents. In addition, concentration at 100 °C, unlike ultrafiltration process, enhanced significantly the antioxidant activities sap syrups and total phenolic contents. The antimicrobial activities showed marked activity against S. enterica, P. aeruginosa, S. aureus, L. monocytogenes with an inhibition zone of 21, 34, 27 and 34 mm respectively. Cytotoxicity assays showed that sap syrups can inhibit the proliferation of HeLa cell lines at high concentration. Published by Elsevier Ltd.

  9. Syntheses and properties of complex resins obtained by the reaction of polyethyleneimine with maleic anhydride-isobutene copolymer

    International Nuclear Information System (INIS)

    Usami, Shiro; Hasegawa, Kiyoshi; Takata, Kyoko; Naito, Ryunosuke; Uchida, Hiroshi; Kozuka, Hiroshi.

    1985-01-01

    Complex resins obtained by the reaction of polyethyleneimine with maleic anhydride-isobutene copolymer around 100 0 C revealed selective ion adsorption depending on the equivalent ratio of nitrogen to carboxyl group (N/COOH). In detail, polyanion-excess complex resins (N/COOH 2+ , Pb 2+ , Zn 2+ and Ni 2+ , and resins containing excess polycation (N/COOH > 1) for metal complex anions such as [CrO 4 ] 2- , [Ag(S 2 O 3 ) 2 ] 3- and [Fe(CN) 6 ] 4- . Furthermore, the polycation-excess complex resins had high adsorption capacity for uranium in solution, for example, a polycationic resin (N/COOH = 1.79) had an adsorption capacity of more than 100 mg U/g-dry base resin in a 75 ppm uranium solution. It also adsorbed and recovered uranium from solution contatining such infinitesimal amounts of uranium as sea water. The results from electron probe X-ray microanalyser (EPMA) of a polycationic resin (N/COOH = 1.79) indicated that cations such as Ca 2+ and Mg 2+ , abundant in sea water, were not adsorbed at all while such anions as Cl - and S 2- were adsorbed. It was found that Br - , I - , etc. were not adsorbed from sea water while these anions were adsorbed from the solutions containing them independently. The result indicated that Cl - in sea water probably interfered the adsorption of Br - , I - , etc. However, uranium was adsorbed from sea water in spite of its extremely low concentration without any disturbance of other co-existing ions. It was found that Ni 2+ and Cu 2+ were also adsorbed. (author)

  10. Maillard Reaction: review

    Directory of Open Access Journals (Sweden)

    Júlia d'Almeida Francisquini

    2017-11-01

    Full Text Available Maillard reaction is an important subject of study in food science and technology and different areas of knowledge are involved such as chemistry, food engineering, nutrition and food technology. The objective of this paper is to present the basic concepts of the Maillard reaction, such as the reaction stages, the main compounds producced and some technological consequences for dairy products.

  11. What Is a Reaction Rate?

    Science.gov (United States)

    Schmitz, Guy

    2005-01-01

    The definition of reaction rate is derived and demonstrations are made for the care to be taken while using the term. Reaction rate can be in terms of a reaction property, the extent of reaction and thus it is possible to give a definition applicable in open and closed systems.

  12. The effects of rare earths on activity and surface properties of Ru/γ-Al2O3 catalyst for water gas shift reaction

    Directory of Open Access Journals (Sweden)

    Laitao Luo

    2007-04-01

    Full Text Available A series of Ru-RE/γ- Al2O3 (RE = Ce, Pr, La, Sm, Tb or Gd and Ru/γ- Al2O3 catalysts were prepared by impregnation method. The influence of rare earths on the catalytic performance of Ru/γ- Al2O3 catalyst for the water gas shift reaction was studied. The catalysts were characterized by X-ray diffraction (XRD, temperature programmed reduction (TPR, temperature programmed desorption (TPD, and CO chemisorption. The results show that the addition of rare earths increases the catalytic activity of Ru based catalyst. Among these cerium is the most remarkably. The addition of cerium increases the active surface area, improves the dispersion of ruthenium, and weakens the interaction between ruthenium and the support. Cerium also affects the adsorption and reduction properties of Ru/γ-Al2O3 catalyst.

  13. I. The properties of hot Ca-like fragments from the 40Ca+40Ca reaction at 35 AMeV

    International Nuclear Information System (INIS)

    Planeta, R.; Gawlikowicz, W.; Wieloch, A.

    2001-01-01

    The creation of hot Ca-like fragments was investigated in the 40 Ca + 40 Ca reaction at 35 AMeV. Using the AMPHORA 4π detector system, the primary projectile-like fragment was reconstructed and its properties were determined. Both primary and secondary distributions are compared with the predictions of a Monte Carlo code describing a heavy-ion collision as a two-step process. Some of the nucleons which are identified as participants in the first step are transferred in the second step to these final states, which correspond on the average to the maximum value of entropy (thermodynamic probability). The model allows for competition between mean-field effects and nucleon-nucleon interactions in the overlap zone of the interacting nuclei. The analysis presented here suggests a thermalized source picture of the decay of the projectile-like fragment. The validity of the reconstruction procedure for projectile-like fragments is discussed. (orig.)

  14. Investigation of the fission fragment properties of the reaction 238U(N,F) at incident neutron energies up to 5.8 MeV

    International Nuclear Information System (INIS)

    Vives, F.

    1998-01-01

    The 238 U(n,f) reaction has been studied at various incident neutrons energies from 1,2 at 5,8 MeV. The author shows that the vibrational resonances presence in the cross section threshold area and the protons parity effect, lead to variations in the fission fragments properties. The mass, the total kinetic energy (TKE) and the fragments angular distribution have been obtained thanks a ionisation double chamber use. Mass function changes in the mass and kinetic energy distributions and their respectively contributions to the TKE variations, have also been studied. The two-dimension distributions adjustments mass-TKE have been compared to the theoretical calculus, compiled with the multi-modal random neck-rupture model: two solutions are possible. Meanwhile, only one leads to significant physical interpretation in terms of layers effects. (A.L.B.)

  15. Study of nuclear reactions with the Skyrme interaction; static properties by the self-consistent method; dynamic properties by the generator-coordinate method

    International Nuclear Information System (INIS)

    Flocard, Hubert.

    1975-01-01

    Using the same effective interaction depending only on 6 parameters a large number of nuclear properties are calculated, and the results are compared with experiment. Total binding energies of all nuclei of the chart table are reproduced within 5MeV. It is shown that the remaining discrepancy is coherent with the increase of total binding energy that can be expected from the further inclusion of collective motion correlations. Monopole, quadrupole and hexadecupole part of the charge densities are also reproduced with good accuracy. The deformation energy curves of many nuclei ranging from carbon to superheavy elements are calculated, and the different features of these curves are discussed. It should be noted that the fission barrier of actinide nuclei has been obtained and the results exhibit the well known two-bump shape. In addition the fusion energy curve of two 16 O merging in one nucleus 32 S has been completed. Results concerning monopole, dipole and quadrupole giant resonances of light nuclei obtained within the frame of the generator coordinate method are also presented. The calculated position of these resonances agree well with present available data [fr

  16. [The effect of bacteria reaction time on corrosion properties of Ni-Cr alloys pretreated with different proteins].

    Science.gov (United States)

    Qi, Han-quan; Zhang, Song-mei; Qian, Chao; Yuan-Li, Zheng

    2015-12-01

    To evaluate the corrosion properties of absorbed protein on the surface of NiCr alloys, and provide experimental base for corrosion resistance of dental casting alloys. NiCr alloy specimens were divided into 3 groups: one group was exposed to the artificial saliva(control group), and the other 2 groups were exposed to the artificial saliva with 1% bovine serum albumin(BSA), or 0.22% lysozyme(LSZ). Group of BSA and group of LSZ were the experimental group. Specimens in 3 groups were cultured in solution of Streptococcus mutans for 12 h, 24 h, 36 h and 48h, and investigated with electrochemical impedance spectroscopy measurement(EIS) and potentiodynamic polarization measurement(POT) to determine the corrosion resistance of the alloys. The data was analyzed with SPSS 17.0 software package. The results indicated that the corrosion resistance of both BSA group and LSZ group were higher than that of the control group (Pcorrosion resistance of BSA group and LSZ group had no significant difference (P>0.05), but was still higher than that of the control group. After 36 h culture time, the control group and the BSA group had no statistical difference in corrosion resistance (P>0.05), while the LSZ group had the poorest corrosion resistance. When the culture time extended to 48 h, the control group had a better corrosion resistance compared with the BAS group and the LSZ group(Pcorrosion properties than LSZ group. The potentiodynamic polarization curve and electrochemical impedance spectroscopy had similar results. The adhesion of BSA and LSZ on the surface of the NiCr alloys in the early time could effectively inhibit the corrosive effect of Streptococcus mutans. The LSZ had better effect than BSA. With the continuing role of bacteria and the consumption of the absorb protein, the corrosion resistance of NiCr alloys toward Streptococcus mutans becomes lower than the alloys without absorb protein, which demonstrated that the adhesion of protein would change the surface

  17. QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

    Science.gov (United States)

    Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

    2017-05-05

    Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

  18. Textural properties of gelling system of low-methoxy pectins produced by demethoxylating reaction of pectin methyl esterase.

    Science.gov (United States)

    Kim, Y; Yoo, Y-H; Kim, K-O; Park, J-B; Yoo, S-H

    2008-06-01

    After deesterification of commercial pectins with a pectin methyl esterase (PME), their gelling properties were characterized using instrumental texture analysis. The final degree of esterification (DE) of the high- and low-methoxy pectins reached approximately 6% after the PME treatment, while deesterification of low-methoxy amidated pectin stopped at 18% DE. Furthermore, DE of high-methoxy pectin was tailored to be 40%, which is equivalent to the DE of commercial low-methoxy pectin. As a result, significant changes in molecular weight (Mw) distribution were observed in the PME-treated pectins. The texture profile analysis showed that PME modification drastically increased hardness, gumminess, and chewiness, while decreasing cohesiveness and adhesiveness of the pectin gels (P pectin gel with relatively high peak molecular weight (Mp, 3.5 x 10(5)) and low DE (6), which was produced from high-methoxy pectin, exhibited the greatest hardness, gumminess, chewiness, and resilience. The hardness of low-methoxy amidated pectin increased over 300% after PME deesterification, suggesting that the effects of amide substitution could be reinforced when DE is even lower. The partial least square regression analysis indicated that the Mw and DE of the pectin molecule are the most crucial factors for hardness, chewiness, gumminess, and resilience of gel matrix.

  19. Synthesis, Chemosensory Properties, and Self-Assembly of Terpyridine-Containing Conjugated Polycarbazole through RAFT Polymerization and Heck Coupling Reaction

    Directory of Open Access Journals (Sweden)

    Po-Chih Yang

    2017-09-01

    Full Text Available We report the responsive fluorescence chemosensory phenomena of a carbazole-functionalized crosslinked polymer (PCaT with pendent terpyridine (tpy groups as receptors of metal ions. The polymer was synthesized using Heck polymerization between 3,6-dibromide groups in a carbazole-based polymer (PC2Br and divinyl tpy monomer. The effects of the polymeric structure on the optical and chemosensory properties of the PCaT were compared with those of a carbazole-tpy alternating conjugated polymer (PCT. Photoluminescence titrations demonstrated that the PCaT and PCT had the high sensing ability toward Fe3+ ions, with Stern–Volmer constants of 8.10 × 104 and 6.68 × 104 M−1, respectively. The limit of detection (LOD toward Fe3+ of the PCaT and PCT was estimated to be 1.31 × 10−6 and 1.81 × 10−6 M, respectively, and the superior LOD of the PCaT was ascribed to its lowly crosslinked structure. The fluorescence of the solutions of these polymers that were quenched by Fe3+ ions recovered when trace CN− anions were added because of the high stability constant of the CN−–Fe3+ complex. Micellar aggregates with a mean diameter of approximately 239.5 nm were formed by dissolving the PCaT in tetrahydrofuran (THF solution. Our results suggest that the PCaT is a promising material for chemosensory applications.

  20. Nuclear reaction studies

    International Nuclear Information System (INIS)

    Alexander, J.M.; Lacey, R.A.

    1994-01-01

    Research focused on the statistical and dynamical properties of ''hot'' nuclei formed in symmetric heavy-ion reactions. Theses included ''flow'' measurements and the mechanism for multifragment disassembly. Model calculations are being performed for the reactions C+C, Ne+Al, Ar+Sc, Kr+Nb, and Xe+La. It is planned to study 40 Ar reactions from 27 to 115 MeV/nucleon. 2 figs., 41 refs

  1. Gold(III) complexes with 2-substituted pyridines as experimental anticancer agents: solution behavior, reactions with model proteins, antiproliferative properties.

    Science.gov (United States)

    Maiore, Laura; Cinellu, Maria Agostina; Nobili, Stefania; Landini, Ida; Mini, Enrico; Gabbiani, Chiara; Messori, Luigi

    2012-03-01

    Gold(III) compounds form a family of promising cytotoxic and potentially anticancer agents that are currently undergoing intense preclinical investigations. Four recently synthesized and characterized gold(III) derivatives of 2-substituted pyridines are evaluated here for their biological and pharmacological behavior. These include two cationic adducts with 2-pyridinyl-oxazolines, [Au(pyox(R))Cl(2)][PF(6)], [pyox(R)=(S)-4-benzyl-2-(pyridin-2-yl)-4,5-dihydrooxazole, I; (S)-4-iso-propyl-2-(pyridin-2-yl)-4,5-dihydrooxazole, II] and two neutral complexes [Au(N,N'OH)Cl(2)], III, and [Au(N,N',O)Cl], IV, containing the deprotonated ligand N-(1-hydroxy-3-iso-propyl-2-yl)pyridine-2-carboxamide, N,N'H,OH, resulting from ring opening of bound pyox(R) ligand of complex II by hydroxide ions. The solution behavior of these compounds was analyzed. These behave as classical prodrugs: activation of the metal center typically takes place through release of the labile chloride ligands while the rest of the molecule is not altered; alternatively, activation may occur through gold(III) reduction. All compounds react eagerly with the model protein cyt c leading to extensive protein metalation. ESI MS experiments revealed details of gold-cyt c interactions and allowed us to establish the nature of protein bound metal containing fragments. The different behavior displayed by I and II compared to III and IV is highlighted. Remarkable cytotoxic properties, against the reference human ovarian carcinoma cell lines A2780/S and A2780/R were disclosed for all tested compounds with IC(50) values ranging from 1.43 to 6.18 μM in the sensitive cell line and from 1.59 to 10.86 μM in the resistant one. The common ability of these compounds to overcome cisplatin resistance is highlighted. The obtained results are thoroughly discussed in the frame of current knowledge on cytotoxic gold compounds. Copyright © 2011 Elsevier Inc. All rights reserved.

  2. Photophysical properties of 1-acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone: Evidence for excited state proton transfer reaction

    International Nuclear Information System (INIS)

    Singh, Rupashree Balia; Mahanta, Subrata; Guchhait, Nikhil

    2007-01-01

    The photophysical properties of 1-acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone (HTHQ) have been investigated by steady state and time resolved spectroscopy in combination with quantum chemical calculations. The effects of various parameters such as the nature of solvent and pH of the medium on the spectral properties confirm the existence of different neutral and ionic species in the ground and excited states. In the ground state, HTHQ exists as intramolecularly hydrogen bonded closed conformer in non-polar and polar aprotic solvents. Apart from the closed conformer, the intermolecular hydrogen bonded solvated species and the anion of HTHQ are present in hydroxylic solvents. The closed conformer shows excited state intramolecular proton transfer in all solvents and the solvent polarity independent red shifted emission indicates only keto-enol tautomerism. Evaluation of the potential energy surfaces by quantum chemical calculation using density functional theory point towards the possibility of proton transfer reaction in the first excited state but not in the ground state

  3. Annealing-induced interfacial reactions and the effects on the electrical properties of Ga doped ZnO/CuxS contacts to p-GaN

    International Nuclear Information System (INIS)

    Gu, Wen; Wu, Xingyang; Song, Peng; Zhang, Jianhua

    2015-01-01

    Highlights: • The electrical properties of GZO/CuS x contacts to p-GaN annealed at different temperatures in air have been studied. • Ohmic contacts were formed by annealing the contacts at 500 and 600 °C in air. • The oxygen in air was found to be essential for the formation of ohmic contact. • The possible formation mechanism of the ohmic contacts was illustrated. - Abstract: Ga-doped ZnO (GZO) contacts to p-GaN were investigated by using Cu x S interlayers under different annealing temperatures. It is shown that the GZO/Cu x S contacts annealed at 300 and 400 °C for 3 min in air exhibited non-ohmic characteristics. However, annealing the contacts at 500 and 600 °C in air resulted in linear current–voltage characteristics. The lowest specific contact resistivity of 1.66 × 10 −2 Ω cm 2 was obtained for the contact annealed at 500 °C. To account for the formation mechanism of the ohmic contact, AES and XPS were used to analyze the interfacial properties of the GZO/Cu x S/p-GaN and Cu x S/p-GaN interfaces, respectively. The possible reasons were discussed in detail, suggesting that the interfacial reactions and atomic diffusions are thought to be responsible for forming such a low contact resistance

  4. Quick Reaction Evaluation of Materials and Processes. Delivery Order 0011: Engineering Properties, Fatigue, and Crack Growth Data on SCS-6/Ti-6Al-4V Titanium Matrix Composite (16 Ply) Panels

    Science.gov (United States)

    2009-05-01

    tabs were bonded to the specimen using a TIG welding process to ensure adhesion of the tabs throughout the experiment. The shear specimens and the...AFRL-RX-WP-TR-2010-4175 QUICK REACTION EVALUATION OF MATERIALS AND PROCESSES Delivery Order 0011: Engineering Properties, Fatigue, and Crack...From - To) May 2009 Final 03 April 2006 – 29 May 2009 4. TITLE AND SUBTITLE QUICK REACTION EVALUATION OF MATERIALS AND PROCESSES Delivery Order

  5. Towards novel efficient and stable nuclear import signals: synthesis and properties of trimethylguanosine cap analogs modified within the 5',5'-triphosphate bridge.

    Science.gov (United States)

    Zytek, Malgorzata; Kowalska, Joanna; Lukaszewicz, Maciej; Wojtczak, Blazej A; Zuberek, Joanna; Ferenc-Mrozek, Aleksandra; Darzynkiewicz, Edward; Niedzwiecka, Anna; Jemielity, Jacek

    2014-12-07

    A trimethylguanosine (TMG) cap is present at the 5' end of several small nuclear and nucleolar RNAs. Recently, it has been reported that the TMG cap is a potential nuclear import signal for nucleus-targeting therapeutic nucleic acids and proteins. The import is mediated by recognition of the TMG cap by the snRNA transporting protein, snurportin1. This work describes the synthesis and properties of a series of dinucleotide TMG cap (m3(2,2,7)GpppG) analogs modified in the 5',5'-triphosphate bridge as tools to study TMG cap-dependent biological processes. The bridge was altered at different positions by introducing either bridging (imidodiphosphate, O to NH and methylenebisphosphonate, O to CH2) or non-bridging (phosphorothioate, O to S and boranophosphate, O to BH3) modifications, or by elongation to tetraphosphate. The stability of novel analogs in blood serum was studied to reveal that the α,β-bridging O to NH substitution (m3(2,2,7)GppNHpG) confers the highest resistance. Short RNAs capped with analogs containing α,β-bridging (m3(2,2,7)GppNHpG) or β-non-bridging (m3(2,2,7)GppSpG D2) modifications were resistant to decapping pyrophosphatase, hNudt16. Preliminary studies on binding by human snurportin1 revealed that both O to NH and O to S substitutions support this binding. Due to favorable properties in all three assays, m3(2,2,7)GppNHpG was selected as a promising candidate for further studies on the efficiency of the TMG cap as a nuclear import signal.

  6. Spallation reactions; Reactions de spallation

    Energy Technology Data Exchange (ETDEWEB)

    Cugon, J.

    1996-12-31

    Spallation reactions dominate the interactions of hadrons with nuclei in the GeV range (from {approx} 0.1 to {approx} 10 GeV). They correspond to a sometimes important ejection of light particles leaving most of the time a residue of mass commensurate with the target mass. The main features of the experimental data are briefly reviewed. The most successful theoretical model, namely the intranuclear cascade + evaporation model, is presented. Its physical content, results and possible improvements are critically discussed. Alternative approaches are shortly reviewed. (author). 84 refs.

  7. Carbon doped lanthanum aluminate (LaAlO{sub 3}:C) UV thermoluminescent properties synthesized by solid state reaction with three different mixing methodologies

    Energy Technology Data Exchange (ETDEWEB)

    Alves, N., E-mail: neire.radiologia@yahoo.com.br, E-mail: farialo@cdtn.br [Universidade Federal do Estado de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Ferraz, W.B.; Faria, L.O., E-mail: ferrazw@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2017-07-01

    In this work we discuss the thermoluminescent (TL) response for LaAlO{sub 3}:C crystals grown by using three different combinations of Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and carbon atoms during the synthesis process. Recently, LaAlO{sub 3} single crystals, co-doped with Ce{sup 3+} and Dy{sup 3+} rare earth trivalent ions and grown under hydrothermal conditions, have been reported to show high thermoluminescent response (TL) when exposed to low levels of ultraviolet radiation (UVR). However, undoped LaAlO{sub 3} synthesized by solid state reaction method from the 1:1 mixture of aluminum and lanthanum oxide under reducing atmosphere revealed to have still higher thermoluminescent sensitivity to UV photon fields than the co-doped with Ce{sup 3+} and Dy{sup 3+}. It is well known that carbon doped aluminum oxide monocrystals have excellent TL and photoluminescent response properties for X-rays, UV and gamma radiation fields. Thus, we conducted three different syntheses of LaAlO{sub 3} by the solid state reaction method, doping the mixture with carbon. The lanthanum aluminate polycrystals were synthesized from the 1:1 mixture of aluminum and lanthanum oxide, adding 0.1wt.% carbon and annealed at 1700°C for two hours in hydrogen atmosphere. The X-ray diffraction analysis revealed the formation of rhombohedral LaAlO{sub 3} crystallographic phase, however a small percentage (15%) of Al{sub 2}O{sub 3} has been also identified. The UV-Vis absorbance spectra were obtained and F and F{sup +}- center were ascribed. The UV irradiations were carried out using a commercial 8W UV lamp. Thermoluminescence measurements were performed at a Harshaw 4500 TL reader. All compositions investigated have shown high TL sensitivity to UVR. (author)

  8. Carbon doped lanthanum aluminate (LaAlO3:C) UV thermoluminescent properties synthesized by solid state reaction with three different mixing methodologies

    International Nuclear Information System (INIS)

    Alves, N.

    2017-01-01

    In this work we discuss the thermoluminescent (TL) response for LaAlO 3 :C crystals grown by using three different combinations of Al 2 O 3 , La 2 O 3 and carbon atoms during the synthesis process. Recently, LaAlO 3 single crystals, co-doped with Ce 3+ and Dy 3+ rare earth trivalent ions and grown under hydrothermal conditions, have been reported to show high thermoluminescent response (TL) when exposed to low levels of ultraviolet radiation (UVR). However, undoped LaAlO 3 synthesized by solid state reaction method from the 1:1 mixture of aluminum and lanthanum oxide under reducing atmosphere revealed to have still higher thermoluminescent sensitivity to UV photon fields than the co-doped with Ce 3+ and Dy 3+ . It is well known that carbon doped aluminum oxide monocrystals have excellent TL and photoluminescent response properties for X-rays, UV and gamma radiation fields. Thus, we conducted three different syntheses of LaAlO 3 by the solid state reaction method, doping the mixture with carbon. The lanthanum aluminate polycrystals were synthesized from the 1:1 mixture of aluminum and lanthanum oxide, adding 0.1wt.% carbon and annealed at 1700°C for two hours in hydrogen atmosphere. The X-ray diffraction analysis revealed the formation of rhombohedral LaAlO 3 crystallographic phase, however a small percentage (15%) of Al 2 O 3 has been also identified. The UV-Vis absorbance spectra were obtained and F and F + - center were ascribed. The UV irradiations were carried out using a commercial 8W UV lamp. Thermoluminescence measurements were performed at a Harshaw 4500 TL reader. All compositions investigated have shown high TL sensitivity to UVR. (author)

  9. Phosphorescent and thermoluminescent properties of SrAl2O4:Eu2+, Dy3+ phosphors prepared by solid state reaction method

    International Nuclear Information System (INIS)

    Mothudi, B.M.; Ntwaeaborwa, O.M.; Kumar, A.; Sohn, K.; Swart, H.C.

    2012-01-01

    Long persistent SrAl 2 O 4 :Eu 2+ phosphors co-doped with Dy 3+ were prepared by the solid state reaction method. The main diffraction peaks of the monoclinic structure of SrAl 2 O 4 were observed in all the samples. The broad band emission spectra at 497 nm for SrAl 2 O 4 :Eu 2+ , Dy 3+ were observed and the emission is attributed to the 4f 6 5d 1 to 4f 7 transition of Eu 2+ ions. The samples annealed at 1100–1200 °C showed similar broad TL glow curves centered at 120 °C. The similar TL glow curves suggest that the traps responsible for them are similar. The long afterglow displayed by the phosphors annealed at different temperatures, may be attributed to the Dy 3+ ions acting as the hole trap levels, which play an important role in prolonging the duration of luminescence.

  10. Ab initio calculation of transition state normal mode properties and rate constants for the H(T)+CH4(CD4) abstraction and exchange reactions

    International Nuclear Information System (INIS)

    Schatz, G.C.; Walch, S.P.; Wagner, A.F.

    1980-01-01

    We present ab initio (GVB--POL--CI) calculations for enough of the region about the abstraction and exchange saddle points for H(T)+CH 4 (CD 4 ) to perform a full normal mode analysis of the transition states. The resulting normal mode frequencies are compared to four other published surfaces: an ab initio UHF--SCF calculation by Carsky and Zahradnik, a semiempirical surface by Raff, and two semiempirical surfaces by Kurylo, Hollinden, and Timmons. Significant quantitative and qualitative differences exist between the POL--CI results and those of the other surfaces. Transition state theory rate constants and vibrationally adiabatic reaction threshold energies were computed for all surfaces and compared to available experimental values. For abstraction, the POL--CI rates are in good agreement with experimental rates and in better agreement than are the rates of any of the other surfaces. For exchange, uncertainties in the experimental values and in the importance of vibrationally nonadiabatic effects cloud the comparison of theory to experiment. Tentative conclusions are that the POL--CI barrier is too low by several kcal. Unless vibrationaly nonadiabatic effects are severe, the POL--CI surface is still in better agreement with experiment than are the other surfaces. The rates for a simple 3-atom transition state theory model (where CH 3 is treated as an atom) are compared to the rates for the full 6-atom model. The kinetic energy coupling of reaction coordinate modes to methyl group modes is identified as being of primary importance in determining the accuracy of the 3-atom model for this system. Substantial coupling in abstraction, but not exchange, causes the model to fail for abstraction but succeed for exchange

  11. Importance measures

    International Nuclear Information System (INIS)

    Gomez Cobo, A.

    1997-01-01

    The presentation discusses the following: general concepts of importance measures; example fault tree, used to illustrate importance measures; Birnbaum's structural importance; criticality importance; Fussel-Vesely importance; upgrading function; risk achievement worth; risk reduction worth

  12. Synthesis of S/Cr doped mesoporous TiO2 with high-active visible light degradation property via solid state reaction route

    International Nuclear Information System (INIS)

    Liu Shaoyou; Tang Qunli; Feng Qingge

    2011-01-01

    S/Cr doped mesoporous TiO 2 (S-TiO 2 , Cr-TiO 2 , S-Cr-TiO 2 ) were successfully synthesized via a simple, effective and environmental benign solid state reaction route. The low angle XRD patterns demonstrated that the resulting samples possess mesostructures. The further characterizations via N 2 adsorption-desorption and XPS showed that the typical S/Cr co-doped mesoporous TiO 2 (S-Cr-TiO 2 (5S-5Cr)) possesses mesopore with the high specific surface area of 118.4 m 2 /g and narrow pore size distribution, and both S and Cr have been incorporated into the lattice of TiO 2 with the amounts of 4.16% sulfur and 7.88% chromium, respectively. And Raman spectroscopy shows that the surface of S-Cr-TiO 2 (5S-5Cr) material possesses stretching vibrational peaks at ∼709, ∼793 cm -1 are assignable to the Ti-O-Cr, O-Cr (Ti)-OH bonds, respectively. Interestingly, the UV-vis displayed that the absorption regions of S/Cr doped mesoporous TiO 2 cover the visible light region. As for the series of S-Cr-TiO 2 samples, the absorption region even extends to near infrared region with strong adsorption. Moreover, compared with the pure titanium dioxide (P25-TiO 2 ), the photodegradation properties of bromocresol green (BCG) on the S/Cr doped mesoporous TiO 2 showed excellent photocatalytic properties under visible light irradiation. Within 50 min visible light irradiation, 82.6% of the initial BCG was degraded for the S-Cr-TiO 2 (6S-4Cr) photocatalyst.

  13. Miscoding properties of 1,N{sup 6}-ethanoadenine, a DNA adduct derived from reaction with antitumor agent 1,3-bis(2-chloroethyl)-1-nitrosourea

    Energy Technology Data Exchange (ETDEWEB)

    Hang, Bo; Guliaev, Anton B.; Chenna, Ahmed; Singer, B.

    2003-03-05

    1,N{sup 6}-Ethanoadenine (EA) is an exocyclic adduct formed from DNA reaction with the antitumor agent, 1,3-bis(2-chloroethyl)-1-nitrosourea (BCNU). To understand the role of this adduct in the mechanism of mutagenicity or carcinogenicity by BCNU, an oligonucleotide with a site-specific EA was synthesized using phosphoramidite chemistry. We now report the in vitro miscoding properties of EA in translesion DNA synthesis catalyzed by mammalian DNA polymerases (pols) {alpha}, {beta}, {eta} and {iota}. These data were also compared with those obtained for the structurally related exocyclic adduct, 1,N{sup 6}-ethenoadenine ({var_epsilon}A). Using a primer extension assay, both pols {alpha} and {beta} were primarily blocked by EA or {var_epsilon}A with very minor extension. Pol {eta} a member of the Y family of polymerases, was capable of catalyzing a significant amount of bypass across both adducts. Pol {eta} incorporated all four nucleotides opposite EA and {var_epsilon}A, but with differential preferences and mainly in an error-prone manner. Human pol {iota}, a paralog of human pol {eta}, was blocked by both adducts with a very small amount of synthesis past {var_epsilon}A. It incorporated C and, to a much lesser extent, T, opposite either adduct. In addition, the presence of an A adduct, e.g. {var_epsilon}A, could affect the specificity of pol {iota} toward the template T immediately 3 feet to the adduct. In conclusion, the four polymerases assayed on templates containing an EA or {var_epsilon}A showed differential bypass capacity and nucleotide incorporation specificity, with the two adducts not completely identical in influencing these properties. Although there was a measurable extent of error-free nucleotide incorporation, all these polymerases primarily misincorporated opposite EA, indicating that the adduct, similar to {var_epsilon}A, is a miscoding lesion.

  14. Study of single particle properties of nuclei in the region of the "island of inversion" by means of neutron-transfer reactions

    CERN Multimedia

    Kruecken, R; Voulot, D

    2007-01-01

    We are aiming at the investigation of single particle properties of neutron-rich nuclei in the region of the "island of inversion" where intruder states from the $\\{fp}$-shell favour deformed ground states instead of the normal spherical $\\textit{sd}$-shell states. As first experiment, we propose to study single particle states in the neutron-rich isotope $^{31}$Mg. The nucleus will be populated by a one-neutron transfer reaction with a $^{30}$Mg beam at 3 MeV/u obtained from REX-ISOLDE impinging on a CD$_{2}$ target. The $\\gamma$-rays will be detected by the MINIBALL array and the particles by a newly built set-up of segmented Si detectors with a angular coverage of nearly 4$\\pi$. Relative spectroscopic factors extracted from the cross sections will enable us to pin down the configurations of the populated states. These will be compared to recent shell model calculations involving new residual interactions. This will shed new light on the evolution of single particle structure leading to the breaking of the ...

  15. Recoil properties of antimony isotopes produced by the reaction of 570 MeV and 18.2 GeV protons with uranium

    CERN Document Server

    Hagebø, E

    1969-01-01

    Using the method of thick target and thick catchers, the ranges and other recoil properties of 13 (12) antimony isotopes between A = 115 and A = 131 (130) have been measured for the reaction of 570 MeV (18·2 GeV) protons with uranium. The kinetic energies T are almost independent of product mass number at 570 MeV but show a strong dependence at 18·2 GeV, the lightest isotopes having only about half the kinetic energy of the heavy ones. \\\\ \\\\The cascade deposition energies for production of antimony isotopes are almost equal at 570 MeV and 18·2 GeV and fit well to straight lines of the form E$^{∗}$ (A, Z) = E$^{∗}$ (A$_{0}$, Z) + b(A − A$_{0}$). Exceptions are the cascade deposition energies for $^{115}$Sb and $^{116}$Sb which seem to be somewhat too high at 18·2 GeV. By comparison with other work it seems that the slope $b$ of these lines is independent of product element, target and of proton irradiation energy above 450 MeV. \\\\ \\\\If we assume at 570 MeV, that the fissioning nucleus is a uranium ...

  16. Effect of thickness on the structural and optical properties of CuO thin films grown by successive ionic layer adsorption and reaction

    Energy Technology Data Exchange (ETDEWEB)

    Akaltun, Yunus, E-mail: yakaltun@erzincan.edu.tr

    2015-11-02

    CuO thin films were synthesised on glass substrates at room temperature using successive ionic layer adsorption and reaction (SILAR) method. The effect of film thickness on characteristic parameters such as the structural, morphological and optical properties of the films was investigated. The X-ray diffraction (XRD) and scanning electron microscopy (SEM) studies showed that all of the films exhibited polycrystalline structure with monoclinic phases and covered the glass substrates well. The crystalline and morphology of the films improved with increasing film thickness. The optical band gap decreased from 2.03 to 1.79 eV depending on the film thickness. The refractive index (n), electron effective mass (m{sub e}{sup ⁎}/m{sub o}) and static and frequency dielectric constants (ε{sub o}, ε{sub ∞}) were determined using the energy band gap values. - Highlights: • CuO thin films were deposited using SILAR method. • The electron effective mass, refractive index, dielectric constant values were calculated. • Characterisation of the films has been performed using XRD, SEM, Raman and optical measurements. • The d values of the planes of with thickness show no variation.

  17. Effect of thickness on the structural and optical properties of CuO thin films grown by successive ionic layer adsorption and reaction

    International Nuclear Information System (INIS)

    Akaltun, Yunus

    2015-01-01

    CuO thin films were synthesised on glass substrates at room temperature using successive ionic layer adsorption and reaction (SILAR) method. The effect of film thickness on characteristic parameters such as the structural, morphological and optical properties of the films was investigated. The X-ray diffraction (XRD) and scanning electron microscopy (SEM) studies showed that all of the films exhibited polycrystalline structure with monoclinic phases and covered the glass substrates well. The crystalline and morphology of the films improved with increasing film thickness. The optical band gap decreased from 2.03 to 1.79 eV depending on the film thickness. The refractive index (n), electron effective mass (m_e"⁎/m_o) and static and frequency dielectric constants (ε_o, ε_∞) were determined using the energy band gap values. - Highlights: • CuO thin films were deposited using SILAR method. • The electron effective mass, refractive index, dielectric constant values were calculated. • Characterisation of the films has been performed using XRD, SEM, Raman and optical measurements. • The d values of the planes of with thickness show no variation.

  18. Syntheses, crystal structures and properties of novel copper(II) complexes obtained by reactions of copper(II) sulfate pentahydrate with tripodal ligands.

    Science.gov (United States)

    Zhao, Wei; Fan, Jian; Song, You; Kawaguchi, Hiroyuki; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu

    2005-04-21

    Three novel metal-organic frameworks (MOFs), [Cu(1)SO4].H2O (4), [Cu2(2)2(SO4)2].4H2O (5) and [Cu(3)(H2O)]SO4.5.5H2O (6), were obtained by hydrothermal reactions of CuSO4.5H2O with the corresponding ligands, which have different flexibility. The structures of the synthesized complexes were determined by single-crystal X-ray diffraction analyses. Complex 4 has a 2D network structure with two types of metallacycles. Complex 5 also has a 2D network structure in which each independent 2D sheet contains two sub-layers bridged by oxygen atoms of the sulfate anions. Complex 6 has a 2D puckered structure in which the sulfate anions serve as counter anions, which are different from those in complexes 4 (terminators) and 5 (bridges). The different structures of complexes 4, 5 and 6 indicate that the nature of organic ligands affected the structures of the assemblies greatly. The magnetic behavior of complex 5 and anion-exchange properties of complex 6 were investigated.

  19. Study of single particle properties of neutron-rich Na isotopes on the "shore of the island of inversion" by means of neutron-transfer reactions

    CERN Multimedia

    Reiter, P; Blazhev, A A; Riisager, K; Bastin, B; Tengborn, E A; Kruecken, R; Voulot, D; Jeppesen, H B; Hadinia, B; Gernhaeuser, R A; Fynbo, H O U; Georgiev, G P; Habs, D; Fraile prieto, L M; Chapman, R; Nilsson, T; Diriken, J V J; Jenkins, D G; Kroell, T; Leske, J; Huyse, M L; Patronis, N

    We aim at the investigation of single particle properties of neutron-rich Na isotopes around the "shore of the island of inversion". As first experiment of this programme, we propose to study excited states in the isotope $^{29}$Na by a one-neutron transfer reaction with a $^{28}$Na beam at 3 MeV/u obtained from REX-ISOLDE impinging on a CD$_{2}$-target. The $\\gamma$-rays will be detected by the MINIBALL array and the particles by the T-REX array of segmented Si detectors. The main physics aims are to extract from the relative spectroscopic factors information on the configurations contributing to the wave functions of the populated states and, secondly, to identify and characterize negative parity states whose excitation energies reflect directly the N= 28 gap in this region. The results will be compared to recent shell model calculations involving new residual interactions. This will shed new light on the evolution of single particle structure and help to understand the underlying physics relevant for the f...

  20. Thermoelectric Properties of the Perovskite-Type Oxide SrTi1-xNbxO3 Synthesized by Solid-State Reaction Method

    Science.gov (United States)

    Khan, Tamal Tahsin; Ur, Soon-Chul

    2018-05-01

    The perovskite-type oxide materials SrTi1-xNbxO3 (X = .02, 0.03, 0.04, 0.05 and 0.06) were synthesized by the conventional solid-state reaction method and the thermoelectric properties in terms of Nb doping at the B-site in the oxides were investigated in this study. The formation of single phase cubic perovskite structure was confirmed by the powder X-ray diffraction analysis. Negative conduction is shown in this materials system. The absolute value of Seebeck coefficient increased with increasing temperature over the measured temperature. The electrical conductivity decreased monotonically with increasing temperature, showing degenerating conduction behavior. The thermal conductivity, k, generally decreased with increasing temperature. The power factor increased with increasing Nb-doping level up to 5.0 mol% and hence the dimensionless figure of merit ZT, increased up to 5.0 mol%. The maximum ZT value was observed for SrTi0.95Nb0.05O3 at 873 K.

  1. Property.

    Science.gov (United States)

    Piele, Philip K.

    Numerous cases in this year's chapter dealt with the same topics of previous years--contracts and bids for building construction, and detachment and annexation of a portion of a school district. The courts continued to attribute board discretionary authority to school boards in school property matters. Intergovernmental disputes over ownership or…

  2. Unifying principles in homodimeric type I photosynthetic reaction centers: properties of PscB and the FA, FB and FX iron-sulfur clusters in green sulfur bacteria.

    Science.gov (United States)

    Jagannathan, Bharat; Golbeck, John H

    2008-12-01

    The photosynthetic reaction center from the green sulfur bacterium Chlorobium tepidum (CbRC) was solubilized from membranes using Triton X-100 and isolated by sucrose density ultra-centrifugation. The CbRC complexes were subsequently treated with 0.5 M NaCl and ultrafiltered over a 100 kDa cutoff membrane. The resulting CbRC cores did not exhibit the low-temperature EPR resonances from FA- and FB- and were unable to reduce NADP+. SDS-PAGE and mass spectrometric analysis showed that the PscB subunit, which harbors the FA and FB clusters, had become dissociated, and was now present in the filtrate. Attempts to rebind PscB onto CbRC cores were unsuccessful. Mössbauer spectroscopy showed that recombinant PscB contains a heterogeneous mixture of [4Fe-4S]2+,1+ and other types of Fe/S clusters tentatively identified as [2Fe-2S]2+,1+ clusters and rubredoxin-like Fe3+,2+ centers, and that the [4Fe-4S]2+,1+ clusters which were present were degraded at high ionic strength. Quantitative analysis confirmed that the amount of iron and sulfide in the recombinant protein was sub-stoichiometric. A heme-staining assay indicated that cytochrome c551 remained firmly attached to the CbRC cores. Low-temperature EPR spectroscopy of photoaccumulated CbRC complexes and CbRC cores showed resonances between g=5.4 and 4.4 assigned to a S=3/2 ground spin state [4Fe-4S]1+ cluster and at g=1.77 assigned to a S=1/2 ground spin state [4Fe-4S]1+ cluster, both from FX-. These results unify the properties of the acceptor side of the Type I homodimeric reaction centers found in green sulfur bacteria and heliobacteria: in both, the FA and FB iron-sulfur clusters are present on a salt-dissociable subunit, and FX is present as an interpolypeptide [4Fe-4S]2+,1+ cluster with a significant population in a S=3/2 ground spin state.

  3. Chrystal structure properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} synthesized by solid state reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Sandi, Dianisa Khoirum, E-mail: dianisa875@gmail.com; Suryana, Risa, E-mail: rsuryana@staff.uns.ac.id [Department of Physics, Faculty of Mathematics and Natural Sciences, Sebelas Maret University (Indonesia); Priyono, Slamet, E-mail: slam013@lipi.go.id [Physics Research Center (P2F)-LIPI, Puspiptek Area, Serpong, Tangerang (Indonesia)

    2016-02-08

    This research aim is to analyze the effect of Aluminum (Al) doping in the structural properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} as anode in lithium ion battery. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. LiOH.H{sub 2}O, TiO{sub 2}, and Al{sub 2}O{sub 3} were raw materials. These materials were milled for 15 h, calcined at temperature of 750{sup o}C and sintered at temperature of 800{sup o}C. Mole percentage of doping Al (x) was varied at x=0; x=0.025; and x =0.05. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. X-ray diffraction was employed to determine the structure of Li{sub 4}Ti{sub 5}O{sub 12}. The PDXL software was performed on the x-ray diffraction data to estimate the phase percentage, the lattice parameter, the unit cell volume, and the crystal density. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} has cubic crystal structure. Al-doping at x=0 and x=0.025 does not change the phase as Li{sub 4}Ti{sub 5}O{sub 12} while at x=0.050 the phase changes to the LiTiAlO{sub 4}. The diffraction patterns show that the angle shifted to the right as the increase of x which indicated that Al substitute Ti site. Percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase at x=0 and x=0.025 was 97.8% and 96.8%, respectively. However, the lattice parameters, the unit cell volume, and the crystal density does not change significantly at x=0; x=0.025; and x=0.050. Based on the percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase, the Al-doped Li at x=0 and x=0.025 is promising as a lithium battery anode.

  4. Predictors of severe systemic anaphylactic reactions in patients with Hymenoptera venom allergy: importance of baseline serum tryptase-a study of the European Academy of Allergology and Clinical Immunology Interest Group on Insect Venom Hypersensitivity.

    Science.gov (United States)

    Ruëff, Franziska; Przybilla, Bernhard; Biló, Maria Beatrice; Müller, Ulrich; Scheipl, Fabian; Aberer, Werner; Birnbaum, Joëlle; Bodzenta-Lukaszyk, Anna; Bonifazi, Floriano; Bucher, Christoph; Campi, Paolo; Darsow, Ulf; Egger, Cornelia; Haeberli, Gabrielle; Hawranek, Thomas; Körner, Michael; Kucharewicz, Iwona; Küchenhoff, Helmut; Lang, Roland; Quercia, Oliviero; Reider, Norbert; Severino, Maurizio; Sticherling, Michael; Sturm, Gunter Johannes; Wüthrich, Brunello

    2009-11-01

    Severe anaphylaxis to honeybee or vespid stings is associated with a variety of risk factors, which are poorly defined. Our aim was to evaluate the association of baseline serum tryptase concentrations and other variables routinely recorded during patient evaluation with the frequency of past severe anaphylaxis after a field sting. In this observational multicenter study, we enrolled 962 patients with established bee or vespid venom allergy who had a systemic reaction after a field sting. Data were collected on tryptase concentration, age, sex, culprit insect, cardiovascular medication, and the number of preceding minor systemic reactions before the index field sting. A severe reaction was defined as anaphylactic shock, loss of consciousness, or cardiopulmonary arrest. The index sting was defined as the hitherto first, most severe systemic field-sting reaction. Relative rates were calculated with generalized additive models. Two hundred six (21.4%) patients had a severe anaphylactic reaction after a field sting. The frequency of this event increased significantly with higher tryptase concentrations (nonlinear association). Other factors significantly associated with severe reactions after a field sting were vespid venom allergy, older age, male sex, angiotensin-converting enzyme inhibitor medication, and 1 or more preceding field stings with a less severe systemic reaction. In patients with honeybee or vespid venom allergy, baseline serum tryptase concentrations are associated with the risk for severe anaphylactic reactions. Preventive measures should include substitution of angiotensin-converting enzyme inhibitors.

  5. Minimum Energy Pathways for Chemical Reactions

    Science.gov (United States)

    Walch, S. P.; Langhoff, S. R. (Technical Monitor)

    1995-01-01

    Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives useful results for a number of chemically important systems. The talk will focus on a number of applications to reactions leading to NOx and soot formation in hydrocarbon combustion.

  6. Precompound Reactions: Basic Concepts

    International Nuclear Information System (INIS)

    Weidenmueller, H. A.

    2008-01-01

    Because of the non-zero nuclear equilibration time, the compound-nucleus scattering model fails when the incident energy exceeds 10 or 20 MeV, and precompound reactions become important. Basic ideas used in the quantum-statistical approaches to these reactions are described

  7. Applications of Reaction Rate

    Science.gov (United States)

    Cunningham, Kevin

    2007-01-01

    This article presents an assignment in which students are to research and report on a chemical reaction whose increased or decreased rate is of practical importance. Specifically, students are asked to represent the reaction they have chosen with an acceptable chemical equation, identify a factor that influences its rate and explain how and why it…

  8. Nuclear reactions

    International Nuclear Information System (INIS)

    Lane, A.M.

    1980-01-01

    In reviewing work at Harwell over the past 25 years on nuclear reactions it is stated that a balance has to be struck in both experiment and theory between work on cross-sections of direct practical relevance to reactors and on those relevant to an overall understanding of reaction processes. The compound nucleus and direct process reactions are described. Having listed the contributions from AERE, Harwell to developments in nuclear reaction research in the period, work on the optical model, neutron capture theory, reactions at doorway states with fine structure, and sum-rules for spectroscopic factors are considered in more detail. (UK)

  9. Microstructure development, phase reaction characteristics and mechanical properties of a commercial Al–20%Mg2Si–xCe in situ composite solidified at a slow cooling rate

    International Nuclear Information System (INIS)

    Nordin, Nur Azmah; Farahany, Saeed; Abu Bakar, Tuty Asma; Hamzah, Esah; Ourdjini, Ali

    2015-01-01

    The microstructure, phase reaction characteristics and mechanical properties of fabricated Al–20%Mg 2 Si in situ composite with different contents of cerium have been investigated using optical microscopy, scanning electron microscopy, X-ray diffraction, thermal analysis and hardness tests. The results show that addition of Ce not only refined Mg 2 Si reinforcement particles but also changed the morphology of eutectic Al–Mg 2 Si, Al 5 FeSi (β) intermetallic and Al 5 Cu 2 Mg 8 Si 6 (Q) + Al 2 Cu (Ɵ) phases. It was found that 0.8 wt% Ce is the optimum concentration to transform the phases into refined structures. The structure of the skeleton of Mg 2 Si P changed to a polygonal shape with uniform distribution and decrease in size from 124 μm to 60 μm and increased in density from 12 to 45 particles/mm 2 . Flake-like Mg 2 Si E transformed into a rod-like morphology. In addition, the aspect ratio of needle-like β structures reduced from 40.5 to 22.9, accompanied with an increase of solid fraction for Q + Ɵ phase. Ce addition increased the nucleation temperature of Mg 2 Si P and β phases; however, it had an opposite effect for the Mg 2 Si E and Q + Ɵ phases. The composite hardness increased from 61.32 to 74.15 HV because of refinement of the microstructure. The refining mechanism of Mg 2 Si P and Mg 2 Si E phases is discussed in the current study, and formation of new Ce compounds is believed to be responsible for the refinement effect. - Highlights: • Refinement of Mg 2 Si P , Mg 2 Si E and β-Fe in Al–Mg 2 Si MMC was achieved with 0.8 wt% Ce. • Distribution of Mg 2 Si P particles over the composite samples was reported. • Hardness property was discussed comprehensively related to refinement effect. • Refinement mechanism of primary and eutectic Mg 2 Si with Ce addition was studied.

  10. Effect of Precursors on Key Opto-electrical Properties of Successive Ion Layer Adsorption and Reaction-Prepared Al:ZnO Thin Films

    Science.gov (United States)

    Kumar, K. Deva Arun; Valanarasu, S.; Ganesh, V.; Shkir, Mohd.; Kathalingam, A.; AlFaify, S.

    2018-02-01

    Aluminum-doped zinc oxide (Al:ZnO) thin films were deposited on glass substrates by successive ion layer adsorption and reaction (SILAR) method using different precursors. This inexpensive SILAR method involves dipping of substrate sequentially in zinc solution, de-ionized water and ethylene glycol in multiple cycles. Prepared films were investigated by x-ray diffraction (XRD), scanning electron microscope (SEM), atomic force microscope (AFM), optical absorption, photoluminescence (PL), Raman spectroscopy and electrical studies. XRD study confirmed incorporation of aluminum in ZnO lattice with a polycrystalline hexagonal wurtzite structure of the films. The crystallite size determined by the Scherrer equation showed an increase from 28 nm to 35 nm for samples S1 to S4, respectively. SEM study showed smooth morphology with homogeneous distribution of particles. From the AFM images, the surface roughness was found to change according to precursors. For the optical analysis, the zinc chloride precursor showed high optical transmittance of about 90% in the visible range with a band gap value 3.15 eV. The room-temperature PL spectra exhibited a stronger violet emission peak at 420 nm for all the prepared samples. The Raman spectra showed a peak around 435 cm-1 which could be assigned to non-polar optical phonons (E2-high) mode AZO films of a ZnO wurtzite structure. Hall effect measurements showed n-type conductivity with low resistivity ( ρ) and high carrier concentrations ( n) of 2.39 × 10-3 Ω-cm and 8.96 × 1020 cm-3, respectively, for the film deposited using zinc chloride as precursor. The above properties make the prepared AZO film to be regarded as a very promising electrode material for fabrication of optoelectronic devices.

  11. Studies on the luminescence properties of CaZrO3:Eu3+ phosphors prepared by the solid state reaction method

    Directory of Open Access Journals (Sweden)

    Ishwar Prasad Sahu

    2017-03-01

    Full Text Available CaZrO3:xEu3+ (x = 1.0, 2.0, 3.0, 4.0, and 5.0 mol% phosphors were successfully prepared by a solid state reaction method. The crystal structure of sintered phosphors was hexagonal phase with space group of Pm-3m. The near ultra-violet (NUV excitation, emission spectra of the CaZrO3:xEu3+ phosphors were composed of sharp line emission associated with the transitions from the excited states 5D0 to the ground state 7Fj (j = 0, 1, 2, 3, 4 of Eu3+. The results indicated that CaZrO3:xEu3+ might become an important orange-red phosphor candidate for use in white light emitting diodes (WLEDs with near-UV LED chips. The mechanoluminescence (ML intensity increases linearly with increasing impact velocity of the moving piston, suggesting that the sintered phosphors can also be useful as a stress sensor.

  12. Importance of the support and the grade of Pt in the oxygen reduction reaction; Importancia del soporte y del grado del Pt en la reaccion de reduccion de oxigeno

    Energy Technology Data Exchange (ETDEWEB)

    Enriquez M, O.; Fernandez V, S.M. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

    2004-07-01

    The technology of the fuel cells type Proton Exchange Membrane (PEM), needs to define clearly the influence of the different involved parameters, this is made in general using methods of electrochemical impedance, in which the involved reactions can be presupposed. Another form of making is identifying experimentally the influence of the different parameters. In this work the obtained results are reported with for the oxygen reduction reaction using as electro catalyst platinum analytical grade and fuel cell grade and like support graphite and vulcan. It was found that as much the support as the particle size modify the over potential for the oxygen reduction reaction (Orr). (Author)

  13. The importance of industrial property rights, legal monopolies for fair competition; La importancia de los derechos de propiedad industrial. Monopolios legales para una competneica leal

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez Rodriguez, J. A.

    2011-07-01

    Industrial property rights are an exception, perhaps the main, for freedom competition and entrepreneurial freedom. Those rights give the holder an exclusive right, and the existence of these legal monopolies is essential for the development of fair competition. Industrial property rights are national and, therefore, to obtain registration and exclusive rights in several countries, they must register on each of them. However, in recent years are emerging industrial property rights with impact on a number of countries (Community marks and designs). (Author)

  14. Effect of sol gel coating on wettability and interfacial reaction in Al-SiC MMC

    DEFF Research Database (Denmark)

    Liu, Y.L.; Breivik, T.R.; Kindl, B.

    1995-01-01

    The control of the interfacial reaction between the matrix and the SiC reinforcement in Al-SiC metal matrix composites (MMCs) is an important production parameter. The reaction causes degradation of the reinforcement, weakening of the interface and a decrease of the mechanical properties of the p...

  15. Evaluation and improvement of cross section accuracy for most important dosimetry reactions 27Al(n,p), 56Fe(n,p) and 237Np(n,f) including covariance data

    International Nuclear Information System (INIS)

    Zolotarev, K.I.

    2004-02-01

    New evaluations of cross sections and their uncertainties for dosimetry reactions 27 Al(n,p) , 56 Fe(n,p) and 237 Np(n,f) have been carried out in the frame work of IAEA Research Contract No. 11372/RB. Data files prepared for this reactions in the ENDF-6 format may be consider as candidates for the new International Reactor Dosimetry File: IRDF-2002. (author)

  16. Evaluation and improvement of cross section accuracy for most important dosimetry reactions 27Al(n,p), 56Fe(n,p) and 237Np(n,f) including covariance data

    Energy Technology Data Exchange (ETDEWEB)

    Zolotarev, K I [Institute of Physics and Power Engineering, Obninsk (Russian Federation)

    2004-02-01

    New evaluations of cross sections and their uncertainties for dosimetry reactions {sup 27}Al(n,p) , {sup 56}Fe(n,p) and {sup 237}Np(n,f) have been carried out in the frame work of IAEA Research Contract No. 11372/RB. Data files prepared for this reactions in the ENDF-6 format may be consider as candidates for the new International Reactor Dosimetry File: IRDF-2002. (author)

  17. Modeling of uncertainties in biochemical reactions.

    Science.gov (United States)

    Mišković, Ljubiša; Hatzimanikatis, Vassily

    2011-02-01

    Mathematical modeling is an indispensable tool for research and development in biotechnology and bioengineering. The formulation of kinetic models of biochemical networks depends on knowledge of the kinetic properties of the enzymes of the individual reactions. However, kinetic data acquired from experimental observations bring along uncertainties due to various experimental conditions and measurement methods. In this contribution, we propose a novel way to model the uncertainty in the enzyme kinetics and to predict quantitatively the responses of metabolic reactions to the changes in enzyme activities under uncertainty. The proposed methodology accounts explicitly for mechanistic properties of enzymes and physico-chemical and thermodynamic constraints, and is based on formalism from systems theory and metabolic control analysis. We achieve this by observing that kinetic responses of metabolic reactions depend: (i) on the distribution of the enzymes among their free form and all reactive states; (ii) on the equilibrium displacements of the overall reaction and that of the individual enzymatic steps; and (iii) on the net fluxes through the enzyme. Relying on this observation, we develop a novel, efficient Monte Carlo sampling procedure to generate all states within a metabolic reaction that satisfy imposed constrains. Thus, we derive the statistics of the expected responses of the metabolic reactions to changes in enzyme levels and activities, in the levels of metabolites, and in the values of the kinetic parameters. We present aspects of the proposed framework through an example of the fundamental three-step reversible enzymatic reaction mechanism. We demonstrate that the equilibrium displacements of the individual enzymatic steps have an important influence on kinetic responses of the enzyme. Furthermore, we derive the conditions that must be satisfied by a reversible three-step enzymatic reaction operating far away from the equilibrium in order to respond to

  18. Study the influence of reacted aliphatic amine series length on its kinetic reaction with dimeric fatty acid C36 and properties of resulted polyamide

    International Nuclear Information System (INIS)

    Al-Mohammad, H.; Falah, A.; Al-Hammoy, M.

    2013-01-01

    Kinetic studies were carried out on the reaction between dimeric fatty acid C 3 6 with 1.3 Diamino propane and 1.4 Diamino butane and 1.6 Diamino hexane and 1.8 Diamino octane in molten phase. The reaction was performed at 145 o C. The polyamidation reaction was found to be on the overall a second order up to 83% conversion for reaction dimeric fatty acid C-36 with 1.3 Diamino propane and 86% conversion for reaction dimeric fatty acid C 3 6 with 1.4 Diamino butane and 87% conversion for reaction dimeric fatty acid C 3 6 with 1.6 Diamino hexane and 1.8 Diamino octane then the reaction order changes to the third order above last conversion. The degree of polymerization,number average molecular weight and weight average molecular weight have been calculated during different times. Their relationships with the times are linear until last conversion. The melting point and thermodynamic constants for melting are determined by use of differential scanning calorimetry DSC. The melting point and thermodynamic constants increase by increasing the length of reacted amine series. (author)

  19. Excitation functions and yields of proton induced reactions at intermediate energies leading to important diagnostics radioisotopes of 52Fe, 77Br, 82Rb, 97Ru, 111In, 123I, 127Xe, 128Cs, 178Ta and 201Tl

    International Nuclear Information System (INIS)

    Rurarz, E.

    1994-01-01

    This report describes investigations of the excitation functions of the proton induced reactions on 14 targets (Mn, Co, Br, Rb, 99 Tc, 113 Cd, 114 Cd, Cd, I, Cs, Ta, 206,207,208 Pb) leading directly or indirectly to the formation of radionuclides 52 Fe, 77 Br, 82 Rb, 97 Ru, 111 In, 123 I, 127 Xe, 128 Cs, 178 Ta and 201 Tl frequently used in diagnostic procedures of nuclear medicine. The measurements of the excitation functions were made over a wide proton energy range from the reaction threshold up to 100 MeV using the stacked foil (or pellet) technique. Small energy steps were used to allow for accurate determination of the structure of excitation functions. For 97 Ru, 111 In and 127 Xe formation with protons, new reaction channels and targets were used and data concerning this method are published for the first time. The data for 52 Fe, 77 Br, 82 Rb, 123 I, 128 Cs and 201 Tl obtained in the present work for the E p =70-100 MeV region are also published for the first time. The measured excitation functions for the formation of desired (and undesired) radionuclides (altogether 28 excitation functions) are compared with the theoretical ones calculated on the basis of a hybrid model of nuclear reactions in the form of the Overlaid Alice computer code. In order to determine the contribution of the competitive reaction channels to the purity of the produced, desired radionuclide, the excitation functions of the accompanying reactions were also calculated. The 122 calculated excitation functions for the possible contaminant are given in the present work. The comparison of experimental excitation functions with the results of model calculations showed satisfactory agreement, especially if one considers, that no parameter adjustment for individual reaction products was undertaken. From the measured excitation functions the production yields for 28 radionuclides mentioned above have been determined (author). 262 refs, 65 figs, 34 tabs

  20. Validation of the French version of the Child Post-Traumatic Stress Reaction Index: psychometric properties in French speaking school-aged children.

    Science.gov (United States)

    Olliac, Bertrand; Birmes, Philippe; Bui, Eric; Allenou, Charlotte; Brunet, Alain; Claudet, Isabelle; Sales de Gauzy, Jérôme; Grandjean, Hélène; Raynaud, Jean-Philippe

    2014-01-01

    Although the reliable and valid Child Post-Traumatic Stress Reaction Index (CPTS-RI) is a widely used measure of posttraumatic stress disorder (PTSD) symptoms in children, it has not been validated in French-speaking populations. The present study aims to assess the psychometric properties of the CPTS-RI in three samples of French-speaking school-children. Data was obtained from three samples. Sample 1 was composed of 106 children (mean (SD) age = 11.7(0.7), 50% females) victims of an industrial disaster. Sample 2 was composed of 50 children (mean (SD) age = 10.8(2.6), 44% females) who had received an orthopaedic surgical procedure after an accident. Sample 3 was composed of 106 children (mean (SD) age = 11.7(2.2), 44% females) admitted to an emergency department after a road traffic accident. We tested internal consistency using Cronbach's alpha. We examined test-retest reliability using intraclass correlation coefficient. In order to assess the convergent validity of the French version of the CPTS-RI and the Clinician Administered PTS Scale-Child and Adolescent (CAPS-CA), spearman-correlation coefficient was computed. To verify the validity of the cut-off scores, a ROC curve was constructed which evaluated the sensitivity and specificity of each score compared to the diagnosis with the CAPS-CA. We also used principal components analysis with varimax rotation to study the structure of the French version of the CPTS-RI. Cronbach's alpha coefficient was 0.87 for the French version of the CPTS-RI. Two-week test-retest intraclass correlation coefficient (n = 30) was 0.67. The French version of the CPTS-RI was well correlated with the CAPS-CA (r = 0.76, p 24 for the CPTS-RI, the sensitivity and specificities were 100% and 62.6%, respectively. The French version of the CPTS-RI demonstrated a three-factor structure. The CPTS-RI is reliable and valid in French-speaking children.

  1. Validation of the French version of the Child Post-Traumatic Stress Reaction Index: psychometric properties in French speaking school-aged children.

    Directory of Open Access Journals (Sweden)

    Bertrand Olliac

    Full Text Available BACKGROUND: Although the reliable and valid Child Post-Traumatic Stress Reaction Index (CPTS-RI is a widely used measure of posttraumatic stress disorder (PTSD symptoms in children, it has not been validated in French-speaking populations. The present study aims to assess the psychometric properties of the CPTS-RI in three samples of French-speaking school-children. METHODS: Data was obtained from three samples. Sample 1 was composed of 106 children (mean (SD age = 11.7(0.7, 50% females victims of an industrial disaster. Sample 2 was composed of 50 children (mean (SD age = 10.8(2.6, 44% females who had received an orthopaedic surgical procedure after an accident. Sample 3 was composed of 106 children (mean (SD age = 11.7(2.2, 44% females admitted to an emergency department after a road traffic accident. We tested internal consistency using Cronbach's alpha. We examined test-retest reliability using intraclass correlation coefficient. In order to assess the convergent validity of the French version of the CPTS-RI and the Clinician Administered PTS Scale-Child and Adolescent (CAPS-CA, spearman-correlation coefficient was computed. To verify the validity of the cut-off scores, a ROC curve was constructed which evaluated the sensitivity and specificity of each score compared to the diagnosis with the CAPS-CA. We also used principal components analysis with varimax rotation to study the structure of the French version of the CPTS-RI. RESULTS: Cronbach's alpha coefficient was 0.87 for the French version of the CPTS-RI. Two-week test-retest intraclass correlation coefficient (n = 30 was 0.67. The French version of the CPTS-RI was well correlated with the CAPS-CA (r = 0.76, p 24 for the CPTS-RI, the sensitivity and specificities were 100% and 62.6%, respectively. The French version of the CPTS-RI demonstrated a three-factor structure. CONCLUSIONS: The CPTS-RI is reliable and valid in French-speaking children.

  2. Synthesis and electrocatalytic properties of La0.8Sr0.2FeO3−δ perovskite oxide for oxygen reactions

    Directory of Open Access Journals (Sweden)

    R.A. Silva

    2017-09-01

    Full Text Available Perovskites are important alternatives for precious metals as catalysts for bifunctional oxygen electrodes, involving oxygen evolution (OER and reduction (ORR reactions as is the case of regenerative fuel cells. In this work, strontium doped lanthanum ferrite La1−xSrxFeO3−δ (x = 0; 0.1; 0.2; 0.3; 0.4; 0.6 and 1.0 powders were prepared by a self-combustion route. The oxides, in the form of carbon paste electrodes, were characterised by cyclic voltammetry in alkaline solutions. Data analyses lead to the selection of La0.8Sr0.2FeO3−δ to prepare gas diffusion electrodes (GDEs. Cyclic voltammetry and steady state polarization curves were used, respectively, to assess the electrochemical behaviour of GDEs and to obtain kinetic data for both OER and ORR. It is concluded that the oxide preparation conditions/electrode configuration determine the electrode performance. The bifunctionality of the electrodes was assessed, under galvanostatic control, using a cycling protocol within the potential domains for OER and ORR. The potential window, i.e., the total combined overpotential between OER and ORR was found to be of ≈770 mV, value which compares well with that obtained under potentiostatic control. Even though the potential window keeps constant during 140 cycles, the increase in cycling time and/or current density (≥2.5 mA·cm−2 led to a gradual metallization of the GDE surface, as confirmed by Scanning Electron Microscopy and X-ray diffraction analysis.

  3. Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities of the Products.

    Science.gov (United States)

    Miszczyk, Patrycja; Wieczorek, Dorota; Gałęzowska, Joanna; Dziuk, Błażej; Wietrzyk, Joanna; Chmielewska, Ewa

    2017-02-08

    The reaction of diethyl phosphite with triethyl orthoformate and a primary amine followed by hydrolysis is presented, and the reaction was suitable for the preparation of (aminomethylene)bisphosphonates. 3-Amino-1,2,4-triazole was chosen as an interesting substrate for this reaction because it possesses multiple groups that can serve as the amino component in the reaction-namely, the side-chain and triazole amines. This substrate readily forms 1,2,4-triazolyl-3-yl-aminomethylenebisphosphonic acid (compound 1 ) as a major product, along with N -ethylated bisphosphonates as side products. The in vitro antiproliferative effects of the synthesized aminomethylenebisphosphonic acids against J774E macrophages were determined. These compounds exhibit similar activity to zoledronic acid and higher activity than incadronic acid.

  4. Reaction of N-acetylneuraminic acid derivatives with perfluorinated anhydrides: a short access to N-perfluoracylated glycals with antiviral properties.

    Science.gov (United States)

    Rota, Paola; Allevi, Pietro; Mattina, Roberto; Anastasia, Mario

    2010-08-21

    An efficient short protocol for the preparation of N-perfluoroacylated glycals of neuraminic acid, by simple short treatment of differently protected N-acetylneuraminic acid with perfluorinated anhydrides in acetonitrile at 135 degrees C, is reported, together with a rationalitazion of the reaction that allows the alternative formation of N-perfluoroacylated 1,7-lactones to be previewed under the same reaction conditions.

  5. (MIRC) reaction w

    Indian Academy of Sciences (India)

    Sudesh Kumari

    eco-friendly solvents, high yields and easy work-up procedure. Keywords. Ethylene glycol; 4-hydroxycoumarin; ... ability and also compatibility with most organic and inorganic compounds. Because of these properties it is ..... phenyl amino)-2H-chromen-2-one (8a) was isolated from the reaction mixture to confirm the ...

  6. Heavy ion transfer reactions

    International Nuclear Information System (INIS)

    Weisser, D.C.

    1977-06-01

    To complement discussions on the role of γ rays in heavy ion induced reactions, the author discusses the role played by particle detection. Transfer reactions are part of this subject and are among those in which one infers the properties of the residual nucleus in a reaction by observing the emerging light nucleus. Inelastic scattering ought not be excluded from this subject, although no particles are transferred, because of the role it plays in multistep reactions and in fixing O.M. parameters describing the entrance channel of the reaction. Heavy ion transfer reaction studies have been under study for some years and yet this research is still in its infancy. The experimental techniques are difficult and the demands on theory rigorous. One of the main products of heavy ion research has been the thrust to re-examine the assumptions of reaction theory and now include many effects neglected for light ion analysis. This research has spurred the addition of multistep processes to simple direct processes and coupled channel calculations. (J.R.)

  7. Physical properties

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Research activities into the physical properties of metals and ceramics at Lawrence Berkeley Laboratory during 1976 are reported. Topics covered include: high field superconductivity; microstructure and mechanical behavior of ceramics, glass-metal, and ceramic-metal systems; high temperature reactions; relation of microstructure to properties in ceramics; and structure and properties of carbon materials and composite materials

  8. cycloaddition reactions

    Indian Academy of Sciences (India)

    Unknown

    Molecular Modeling Group, Organic Chemical Sciences, Indian Institute of Chemical Technology,. Hyderabad ... thus obtained are helpful to model the regioselectivity ... compromise to model Diels–Alder reactions involving ...... acceptance.

  9. Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities of the Products

    Directory of Open Access Journals (Sweden)

    Patrycja Miszczyk

    2017-02-01

    Full Text Available The reaction of diethyl phosphite with triethyl orthoformate and a primary amine followed by hydrolysis is presented, and the reaction was suitable for the preparation of (aminomethylenebisphosphonates. 3-Amino-1,2,4-triazole was chosen as an interesting substrate for this reaction because it possesses multiple groups that can serve as the amino component in the reaction—namely, the side-chain and triazole amines. This substrate readily forms 1,2,4-triazolyl-3-yl-aminomethylenebisphosphonic acid (compound 1 as a major product, along with N-ethylated bisphosphonates as side products. The in vitro antiproliferative effects of the synthesized aminomethylenebisphosphonic acids against J774E macrophages were determined. These compounds exhibit similar activity to zoledronic acid and higher activity than incadronic acid.

  10. Effect of ultrasound pretreatment and Maillard reaction on structure and antioxidant properties of ultrafiltrated smooth-hound viscera proteins-sucrose conjugates.

    Science.gov (United States)

    Abdelhedi, Ola; Mora, Leticia; Jemil, Ines; Jridi, Mourad; Toldrá, Fidel; Nasri, Moncef; Nasri, Rim

    2017-09-01

    The effect of ultrasound (US) pre-treatment on the evolution of Maillard reaction (MR), induced between low molecular weight (LMW) peptides and sucrose, was studied. LMW peptides (reaction, a marked decrease in pH values, coupled to the increase in colour of the Maillard reaction products (MRPs), were recorded. In addition, after sonication, the glycation degree was significantly enhanced in Esperase-derived peptides/sucrose conjugates (p<0.05). Moreover, results showed that thermal heating, particularly after US treatment, reduced the bitter taste and enhanced the antioxidant capacities of the resulting conjugates. Hence, it could be concluded that US leads to efficient mixing of sugar-protein solution and efficient heat/mass transfer, contributing to increase the MR rate. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Electron Beam Lithography of HSQ and PMMA Resists and Importance of their Properties to Link the Nano World to the Micro World

    NARCIS (Netherlands)

    Kaleli, B.; Aarnink, Antonius A.I.; Smits, Sander M.; Hueting, Raymond Josephus Engelbart; Wolters, Robertus A.M.; Schmitz, Jurriaan

    2010-01-01

    In this work we investigated the properties of HSQ and PMMA resists focusing on contrast and line width for ebeam lithography (EBL) application. HSQ was found to be a good candidate to have desired line widths but the contrast we obtained was less than it was for PMMA. Since the fluorine based

  12. IMPORTANT NOTIFICATION

    CERN Multimedia

    HR Department

    2009-01-01

    Green plates, removals and importation of personal effects Please note that, as from 1 April 2009, formalities relating to K and CD special series French vehicle plates (green plates), removals and importation of personal effects into France and Switzerland will be dealt with by GS Department (Building 73/3-014, tel. 73683/74407). Importation and purchase of tax-free vehicles in Switzerland, as well as diplomatic privileges, will continue to be dealt with by the Installation Service of HR Department (Building 33/1-011, tel. 73962). HR and GS Departments

  13. High temperature reactions between molybdenum and metal halides

    International Nuclear Information System (INIS)

    Boeroeczki, A.; Dobos, G.; Josepovits, V.K.; Hars, Gy.

    2006-01-01

    Good colour rendering properties, high intensity and efficacy are of vital importance for high-end lighting applications. These requirements can be achieved by high intensity discharge lamps doped with different metal halide additives (metal halide lamps). To improve their reliability, it is very important to understand the different failure processes of the lamps. In this paper, the corrosion reactions between different metal halides and the molybdenum electrical feed-through electrode are discussed. The reactions were studied in the feed-through of real lamps and on model samples too. X-ray photoelectron spectroscopy (XPS) was used to establish the chemical states. In case of the model samples we have also used atomic absorption spectroscopy (AAS) to measure the reaction product amounts. Based on the measurement results we were able to determine the most corrosive metal halide components and to understand the mechanism of the reactions

  14. Reaction mechanisms in zeolite catalysis

    NARCIS (Netherlands)

    Rozanska, X.; Santen, van R.A.; Auerbach, S.C.; Carrado, K.A.; Dutta, P.D.

    2003-01-01

    A review; described are the most basic mechanistic reaction steps that are induced by zeolite catalysts. Details on the zeolitic properties that are relevant to mol. reactivity are also provided. The theor. methods and models at hand to allow the investigation of these reaction steps and that have

  15. Effect of reaction time on structural, morphology and optical properties of ZnO nanoflakes prepared by chemical bath deposition method

    Energy Technology Data Exchange (ETDEWEB)

    Molefe, F.V.; Koao, L.F., E-mail: koaolf@qwa.ufs.ac.za; Dolo, J.J.; Dejene, B.F.

    2014-04-15

    ZnO nanoflakes have been successfully synthesized by the chemical bath deposition (CBD) method for different reaction times. X-ray diffraction (XRD) results confirm the initial formation of the cubic ZnO structure. However, increasing the reaction time resulted into the emergence of the well-known hexagonal wurtzite structure of ZnO. Scanning electron microscopy images showed the presence of agglomerated nanoflakes. The morphology was found not to depend on synthesis time. UV–vis spectra showed a partially increase in the percentage reflectance and the absorption edges red shifted to the higher wavelength with an increase in synthesis time. The highest band gap energy was obtained for ZnO synthesized for 1 min, with its estimated band gap energy of 3.91±0.08 eV. The estimated band gap decreased with an increase in the reaction time. The photoluminescent intensity of the emission peak at 473 nm decreased with an increase in reaction time.

  16. Proceedings of the international conference on dynamical properties of heavy-ion reactions held at the University of the Witwatersrand, v. 1

    International Nuclear Information System (INIS)

    Engelbrecht, C.A.; Lemmer, R.H.; Sellschop, J.P.F.; Toeppfer, C.

    1978-01-01

    The report contains abstracts of the papers delivered at the conference. The abstracts have been grouped into the following chapters: Very heavy nuclei; Deep inelastic reactions and fusion; Resonances; Elastic and quasi-elastic scattering; Atomic physics with heavy ions; Miscellaneous; Post-deadline contributions. Each abstract has been submitted to INIS separately

  17. Free-polymer controlling morphology of α-MoO3 nanobelts by a facile hydrothermal synthesis, their electrochemistry for hydrogen evolution reactions and optical properties

    International Nuclear Information System (INIS)

    Sinaim, Hathai; Ham, Dong Jin; Lee, Jae Sung; Phuruangrat, Anukorn; Thongtem, Somchai; Thongtem, Titipun

    2012-01-01

    Highlights: ► MoO 3 nanobelts as an n-type semiconducting material. ► It was successfully synthesized by a facile hydrothermal reaction. ► A promising material with 3.75 eV band gap for hydrogen evolution reaction (HER). - Abstract: Orthorhombic molybdenum oxide (α-MoO 3 ) nanobelts were successfully synthesized by the 100–180 °C and 2–20 h hydrothermal reactions of (NH 4 ) 6 Mo 7 O 24 ·4H 2 O solutions containing 15 ml 2 M acid (HNO 3 , H 2 SO 4 or HCl) with no surfactant and template adding. These products were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Raman spectroscopy, and electron microscopy (EM). In the present research, the product synthesized by the 180 °C and 20 h hydrothermal reaction of the solution containing HNO 3 was α-MoO 3 nanobelts with >10 μm long and 3 nanobelts were characterized by linear sweep voltammetry (LSV) and Tafel plot, including UV–vis and photoluminescence (PL) spectroscopy. These imply that α-MoO 3 nanobelts show satisfied performance for HER, with the 3.75 eV direct allowed band gap (E g ) due to the charged transition of O 2p → Mo 4d , including the emission of 437 nm wavelength at room temperature.

  18. Importance of the alignment of polar π conjugated molecules inside carbon nanotubes in determining second-order non-linear optical properties.

    Science.gov (United States)

    Yumura, Takashi; Yamamoto, Wataru

    2017-09-20

    We employed density functional theory (DFT) calculations with dispersion corrections to investigate energetically preferred alignments of certain p,p'-dimethylaminonitrostilbene (DANS) molecules inside an armchair (m,m) carbon nanotube (n × DANS@(m,m)), where the number of inner molecules (n) is no greater than 3. Here, three types of alignments of DANS are considered: a linear alignment in a parallel fashion and stacking alignments in parallel and antiparallel fashions. According to DFT calculations, a threshold tube diameter for containing DANS molecules in linear or stacking alignments was found to be approximately 1.0 nm. Nanotubes with diameters smaller than 1.0 nm result in the selective formation of linearly aligned DANS molecules due to strong confinement effects within the nanotubes. By contrast, larger diameter nanotubes allow DANS molecules to align in a stacking and linear fashion. The type of alignment adopted by the DANS molecules inside a nanotube is responsible for their second-order non-linear optical properties represented by their static hyperpolarizability (β 0 values). In fact, we computed β 0 values of DANS assemblies taken from optimized n × DANS@(m,m) structures, and their values were compared with those of a single DANS molecule. DFT calculations showed that β 0 values of DANS molecules depend on their alignment, which decrease in the following order: linear alignment > parallel stacking alignment > antiparallel stacking alignment. In particular, a linear alignment has a β 0 value more significant than that of the same number of isolated molecules. Therefore, the linear alignment of DANS molecules, which is only allowed inside smaller diameter nanotubes, can strongly enhance their second-order non-linear optical properties. Since the nanotube confinement determines the alignment of DANS molecules, a restricted nanospace can be utilized to control their second-order non-linear optical properties. These DFT findings can assist in the

  19. Direct Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Austern, N. [University of Pittsburgh, Pittsburgh, PA (United States)

    1963-01-15

    In order to give a unified presentation of one point of view, these lectures are devoted only to a detailed development of the standard theories of direct reactions, starting from basic principles. Discussion is given of the present status of the theories, of the techniques used for practical calculation, and of possible future developments. The direct interaction (DI) aspects of a reaction are those which involve only a few of the many degrees of freedom of a nucleus. In fact the minimum number of degrees of freedom which must be involved in a reaction are those required to describe the initial and final channels, and DI studies typically consider these degrees of freedom and no others. Because of this simplicity DI theories may be worked out in painstaking detail. DI processes concern only part of the wave function for a problem. The other part involves complicated excitations of many degrees of freedom, and gives the compound nucleus (CN) effects. While it is extremely interesting to learn how to separate DI and CN effects in an orderly manner, if they are both present in a reaction, no suitable method has yet been found. Instead, current work stresses the kinds of reactions and the kinds of final states in which DI effects dominate and in which CN effects may almost be forgotten. The DI cross-sections which are studied are often extremely large, comparable to elastic scattering cross-sections. (author)

  20. Neutrino reactions in hot and dense matter

    International Nuclear Information System (INIS)

    Lohs, Andreas

    2015-01-01

    In this thesis, neutrino reactions in hot and dense matter are studied. In particular, this work is concerned with neutrino-matter interactions that are relevant for neutrino transport in core-collapse supernovae (CCSNe). The majority of the energy from a CCSN is released in the form of neutrinos. Accurate understanding and computation of these interactions is most relevant to achieve sufficiently reliable predictions for the evolution of CCSNe and other related question such as the production of heavy elements or neutrino oscillations. For this purpose this work follows the combined approach of searching for new important neutrino reactions and improving the computation of those reactions that are already implemented. First we estimate the relevance of charged-current weak interactions that include muon-neutrinos or muons, as well as the role of neutron decay for neutrino transport in CCSNe. All of these reactions were previously neglected in CCSN-simulations. We derive and compute the matrix element and subsequent semi-analytic expressions for transport properties like the inverse mean free path of the new reactions. It is found that these reactions are important for muon neutrinos and low energy electron antineutrinos at very high densities in the protoneutron star surface. Consequently their implementation might lead to several changes in the prediction of CCSNe signatures such as the nucleosynthesis yields. Second we improve the precision in the computation of well known neutrino-nucleon reactions like neutrino absorption on neutrons. We derive semi-analytic expressions for transport properties that use less restrictive approximations while keeping the computational demand constant. Therefore we consider the full relativistic kinematics of all participating particles i.e. allowing for relativistic nucleons and finite lepton masses. Also the weak magnetism terms of the matrix elements are explicitly included to all orders. From our results we suggest that the

  1. Neutrino reactions in hot and dense matter

    Energy Technology Data Exchange (ETDEWEB)

    Lohs, Andreas

    2015-04-13

    In this thesis, neutrino reactions in hot and dense matter are studied. In particular, this work is concerned with neutrino-matter interactions that are relevant for neutrino transport in core-collapse supernovae (CCSNe). The majority of the energy from a CCSN is released in the form of neutrinos. Accurate understanding and computation of these interactions is most relevant to achieve sufficiently reliable predictions for the evolution of CCSNe and other related question such as the production of heavy elements or neutrino oscillations. For this purpose this work follows the combined approach of searching for new important neutrino reactions and improving the computation of those reactions that are already implemented. First we estimate the relevance of charged-current weak interactions that include muon-neutrinos or muons, as well as the role of neutron decay for neutrino transport in CCSNe. All of these reactions were previously neglected in CCSN-simulations. We derive and compute the matrix element and subsequent semi-analytic expressions for transport properties like the inverse mean free path of the new reactions. It is found that these reactions are important for muon neutrinos and low energy electron antineutrinos at very high densities in the protoneutron star surface. Consequently their implementation might lead to several changes in the prediction of CCSNe signatures such as the nucleosynthesis yields. Second we improve the precision in the computation of well known neutrino-nucleon reactions like neutrino absorption on neutrons. We derive semi-analytic expressions for transport properties that use less restrictive approximations while keeping the computational demand constant. Therefore we consider the full relativistic kinematics of all participating particles i.e. allowing for relativistic nucleons and finite lepton masses. Also the weak magnetism terms of the matrix elements are explicitly included to all orders. From our results we suggest that the

  2. Probabilistic sensitivity analysis of biochemical reaction systems.

    Science.gov (United States)

    Zhang, Hong-Xuan; Dempsey, William P; Goutsias, John

    2009-09-07

    Sensitivity analysis is an indispensable tool for studying the robustness and fragility properties of biochemical reaction systems as well as for designing optimal approaches for selective perturbation and intervention. Deterministic sensitivity analysis techniques, using derivatives of the system response, have been extensively used in the literature. However, these techniques suffer from several drawbacks, which must be carefully considered before using them in problems of systems biology. We develop here a probabilistic approach to sensitivity analysis of biochemical reaction systems. The proposed technique employs a biophysically derived model for parameter fluctuations and, by using a recently suggested variance-based approach to sensitivity analysis [Saltelli et al., Chem. Rev. (Washington, D.C.) 105, 2811 (2005)], it leads to a powerful sensitivity analysis methodology for biochemical reaction systems. The approach presented in this paper addresses many problems associated with derivative-based sensitivity analysis techniques. Most importantly, it produces thermodynamically consistent sensitivity analysis results, can easily accommodate appreciable parameter variations, and allows for systematic investigation of high-order interaction effects. By employing a computational model of the mitogen-activated protein kinase signaling cascade, we demonstrate that our approach is well suited for sensitivity analysis of biochemical reaction systems and can produce a wealth of information about the sensitivity properties of such systems. The price to be paid, however, is a substantial increase in computational complexity over derivative-based techniques, which must be effectively addressed in order to make the proposed approach to sensitivity analysis more practical.

  3. Solid-state reaction mechanism and microwave dielectric properties of CaTiO{sub 3}–LaAlO{sub 3} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Juan [Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Faculty of Materials Science & Engineering, Hubei University, Wuhan 430062 (China); Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Hubei University, Wuhan 430062 (China); Fang, Danhua; Lu, Chao; Dou, Zhanming; Wang, Gan; Zhang, Fan [Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Faculty of Materials Science & Engineering, Hubei University, Wuhan 430062 (China); Zhang, Tianjin, E-mail: zhangtj@hubu.edu.cn [Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Faculty of Materials Science & Engineering, Hubei University, Wuhan 430062 (China); Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Hubei University, Wuhan 430062 (China)

    2015-07-25

    Highlights: • CaTiO{sub 3}–LaAlO{sub 3} perovskite ceramics were prepared by four sintering reaction routes. • The solid-state reaction mechanism was investigated by XRD and TG/DSC techniques. • Sintering routes had more influence on the parameters of Q × f and τ{sub f} than on ε{sub r}. - Abstract: 0.675CaTiO{sub 3}–0.325LaAlO{sub 3} perovskite ceramics were prepared by a conventional sintering process through four reaction routes. The solid-state reaction mechanisms were investigated by X-ray diffraction and thermogravimetric/differential scanning calorimetric analysis techniques. The results show that interactions occurred between mixtures of CaCO{sub 3} and TiO{sub 2} as well as La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}, and they can influence the sintering behavior of the mixtures. Prior to the formation of solid solutions, the perovskite phases CaTiO{sub 3} and LaAlO{sub 3} were formed regardless of the combination of oxide powders used as reagents. From the powder mixtures which were calcined at 1200 °C, a Ca-rich Ca{sub 9}Al{sub 6}O{sub 18} phase was present at 1400 °C if free La{sub 2}O{sub 3} and Al{sub 2}O{sub 3} used in the reaction mixtures. Ca-rich phases were also formed at higher temperature (1450 °C) if LaAlO{sub 3} was present. The densities of the ceramics obtained by the four routes were different at specific sintering temperatures, and the highest density was obtained for the reaction route two. Results indicated that the preparation pathways had more influence on Q × f and temperature coefficient of the resonant frequency (τ{sub f}) than on the dielectric constants (ε{sub r}), and Q × f decreased and τ{sub f} increased rapidly when the secondary phase presented. Route four is considered as an optimal pathway for the preparation of 0.675CaTiO{sub 3}–0.325LaAlO{sub 3} ceramics.

  4. Solid-state reaction mechanism and microwave dielectric properties of CaTiO3–LaAlO3 ceramics

    International Nuclear Information System (INIS)

    Jiang, Juan; Fang, Danhua; Lu, Chao; Dou, Zhanming; Wang, Gan; Zhang, Fan; Zhang, Tianjin

    2015-01-01

    Highlights: • CaTiO 3 –LaAlO 3 perovskite ceramics were prepared by four sintering reaction routes. • The solid-state reaction mechanism was investigated by XRD and TG/DSC techniques. • Sintering routes had more influence on the parameters of Q × f and τ f than on ε r . - Abstract: 0.675CaTiO 3 –0.325LaAlO 3 perovskite ceramics were prepared by a conventional sintering process through four reaction routes. The solid-state reaction mechanisms were investigated by X-ray diffraction and thermogravimetric/differential scanning calorimetric analysis techniques. The results show that interactions occurred between mixtures of CaCO 3 and TiO 2 as well as La 2 O 3 and Al 2 O 3 , and they can influence the sintering behavior of the mixtures. Prior to the formation of solid solutions, the perovskite phases CaTiO 3 and LaAlO 3 were formed regardless of the combination of oxide powders used as reagents. From the powder mixtures which were calcined at 1200 °C, a Ca-rich Ca 9 Al 6 O 18 phase was present at 1400 °C if free La 2 O 3 and Al 2 O 3 used in the reaction mixtures. Ca-rich phases were also formed at higher temperature (1450 °C) if LaAlO 3 was present. The densities of the ceramics obtained by the four routes were different at specific sintering temperatures, and the highest density was obtained for the reaction route two. Results indicated that the preparation pathways had more influence on Q × f and temperature coefficient of the resonant frequency (τ f ) than on the dielectric constants (ε r ), and Q × f decreased and τ f increased rapidly when the secondary phase presented. Route four is considered as an optimal pathway for the preparation of 0.675CaTiO 3 –0.325LaAlO 3 ceramics.

  5. Chemical and Electrochemical Properties of La0.58Sr0.4Fe0.8Co0.2O3-δ (LSCF) Thin Films upon Oxygen Reduction and Evolution Reactions

    DEFF Research Database (Denmark)

    Pitscheider, Simon; Machala, Michael; Guan, Zixuan

    2017-01-01

    The Oxygen Evolution and Oxygen Reduction Reactions (OER/ORR), occurring at the oxygen electrode of Solid Oxide Cells (SOCs) in the two possible ways of operation, require substantial overpotentials, therefore lowering the operating efficiency of the cells. The reaction mechanisms occurring...... at these electrodes are still not completely understood due to their complexity and localized character at the interfaces between different materials or between the gas atmosphere and the electrocatalyst, and need in situ techniques with very high chemical sensitivity, with the additional difficulty of probing...... the materials as close as possible to their realistic operating conditions. In addition, the properties of LSCF are, despite numerous studies, still unclear in many aspects, despite LSCF being one of the state-of-the-art electrocatalysts used for SOCs. It is understood that the surface chemical composition...

  6. Synthesis and properties of the diluted magnetic semiconductor ZnO doped with nickel ions by combustion reaction; Sintese e propriedades do semicondutor magnetico diluido ZnO dopado com ions de niquel por meio da reacao de combustao

    Energy Technology Data Exchange (ETDEWEB)

    Morais, A.; Torquato, R.A.; Costa, A.C.F.M, E-mail: m.artur@hotmail.com.br [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Departamento de Engenharia de Materiais; Universidade Federal de Campina Grande (UFCG), PB (Brazil). Departamento de Engenharia de Materiais

    2017-10-01

    One of the greatest challenges for the development of the spintronics this creation of materials having semiconductivity and magnetism at above room temperatures, enabling the creation of devices with greater processing speeds. This work aims to synthesize by combustion reaction semiconductor ZnO doped with nickel ions at a concentration of 0.08 mol for applications such as diluted magnetic semiconductor (DMS). The combustion reaction is quite simple and promising in obtaining single-phase materials at the nanoscale. The obtained powder was subjected to the characterizations of X-ray diffraction (XRD), X-ray fluorescence, vibrating sample magnetometry (VSM), and UV-vis spectroscopy. The crystalline material exhibits ZnO crystalline structure and coercive field of 161,36 Oe, showing that the material exhibits the properties of an SMD. (author)

  7. Reaction mechanisms

    International Nuclear Information System (INIS)

    Nguyen Trong Anh

    1988-01-01

    The 1988 progress report of the Reaction Mechanisms laboratory (Polytechnic School, France), is presented. The research topics are: the valence bond methods, the radical chemistry, the modelling of the transition states by applying geometric constraints, the long range interactions (ion - molecule) in gaseous phase, the reaction sites in gaseous phase and the mass spectroscopy applications. The points of convergence between the investigations of the mass spectroscopy and the theoretical chemistry teams, as well as the purposes guiding the research programs, are discussed. The published papers, the conferences, the congress communications and the thesis, are also reported [fr

  8. The importance of ash for the favourable properties of sewage sludge in co-firing; Askans betydelse foer roetslams goda samfoerbraenningsegenskaper

    Energy Technology Data Exchange (ETDEWEB)

    Davidsson, K.; Jones, F.; Niklasson, F.; Ryde, D. [SP Sveriges Tekniska Forskningsinstitut, Boraas, (Sweden); Gustafsson, G. [Boraas Energi och Miljoe, Boraas (Sweden); Herstad Svaerd, S. [WSP Kraft and Vaerme, Goeteborg (Sweden)

    2012-11-01

    Sewage sludge has been shown to have positive properties during cofiring with difficult fuels. The sludge mitigates deposition and corrosion which occur because of the fuels content of chlorine and alkali. The reason for the positive properties of sludge are its content of sulphur, phosphorus and aluminium silicates. Its high content of ash has also been discussed because the fly ash would constitute a large surface for alkali chlorides to condensate on and thereby avoid condensation on e.g. superheater surfaces. The ash could also blast the surface and thereby keeping them clean. The present project aims at testing the hypothesis that the ash in the sludge mitigates the deposition. Tests have been performed with synthetically produced waste pellets of which some were doped with inert particles in form of aluminium oxide. The tests were done in a lab-scale bubbling fluidised bed. Deposit probes collected deposits during the combustion of doped and un-doped waste pellets, and the deposits were chemically analysed. The result shows that the inert particles do not have any effect on the amount of hard attached deposits. The particles ended up on the lee side of the probe where they deposited because of gravitation, but they could be easily removed. The remaining deposit was analysed and the effect of inert particles was a small decrease of the content of chlorine. Tests were also performed with pellets doped with sludge. In this case the amount of deposit and its content of chlorine decreased significantly. Different sewage sludges have different properties. The present results show that sludge for cofiring should not be chosen for its amount of ash but rather for its content of sulphur, phosphorous and aluminium.

  9. The importance of ash for the favourable properties of sewage sludge in co-firing; Askans betydelse foer roetslams goda samfoerbraenningsegenskaper

    Energy Technology Data Exchange (ETDEWEB)

    Davidsson, K.; Jones, F.; Niklasson, F.; Ryde, D. [SP Sveriges Tekniska Forskningsinstitut, Boraas (Sweden); Gustafsson, G. [Boraas Energi och Miljoe, Boraas (Sweden); Herstad Svaerd, S. [WSP Kraft and Vaerme, Stockholm (Sweden)

    2012-07-01

    Sewage sludge has been shown to have positive properties during cofiring with difficult fuels. The sludge mitigates deposition and corrosion which occur because of the fuels content of chlorine and alkali. The reason for the positive properties of sludge are its content of sulphur, phosphorus and aluminium silicates. Its high content of ash has also been discussed because the fly ash would constitute a large surface for alkali chlorides to condensate on and thereby avoid condensation on e.g. superheater surfaces. The ash could also blast the surface and thereby keeping them clean. The present project aims at testing the hypothesis that the ash in the sludge mitigates the deposition. Tests have been performed with synthetically produced waste pellets of which some were doped with inert particles in form of aluminium oxide. The tests were done in a lab-scale bubbling fluidised bed. Deposit probes collected deposits during the combustion of doped and un-doped waste pellets, and the deposits were chemically analysed. The result shows that the inert particles do not have any effect on the amount of hard attached deposits. The particles ended up on the lee side of the probe where they deposited because of gravitation, but they could be easily removed. The remaining deposit was analysed and the effect of inert particles was a small decrease of the content of chlorine. Tests were also performed with pellets doped with sludge. In this case the amount of deposit and its content of chlorine decreased significantly. Different sewage sludges have different properties. The present results show that sludge for cofiring should not be chosen for its amount of ash but rather for its content of sulphur, phosphorous and aluminium.

  10. Chemical reactions in solvents and melts

    CERN Document Server

    Charlot, G

    1969-01-01

    Chemical Reactions in Solvents and Melts discusses the use of organic and inorganic compounds as well as of melts as solvents. This book examines the applications in organic and inorganic chemistry as well as in electrochemistry. Organized into two parts encompassing 15 chapters, this book begins with an overview of the general properties and the different types of reactions, including acid-base reactions, complex formation reactions, and oxidation-reduction reactions. This text then describes the properties of inert and active solvents. Other chapters consider the proton transfer reactions in

  11. Oxygen reduction reaction properties of nitrogen-incorporated nanographenes synthesized using in-liquid plasma from mixture of ethanol and iron phthalocyanine

    Science.gov (United States)

    Amano, Tomoki; Kondo, Hiroki; Takeda, Keigo; Ishikawa, Kenji; Hiramatsu, Mineo; Sekine, Makoto; Hori, Masaru

    2018-04-01

    Nanographenes were synthesized using in-liquid plasma from a mixture of iron phthalocyanine and ethanol. In a previous study, micrometer-scale flakes with nitrogen incorporation were obtained. A nonprecious metal catalytic activity was observed with 3.13 electrons in an oxygen reduction reaction under an acidic solute condition. Large-surface-area, high-graphene-crystallinity, and iron-carbon-bonding sites were found owing to a high catalytic activity in Fe-N/nanographene.

  12. Coupled modelling (transport-reaction) of the fluid-clay interactions and their feed back on the physical properties of the bentonite engineered clay barrier system; Modelisation couplee (transport - reaction) des interactions fluides - argiles et de leurs effets en retour sur les proprietes physiques de barrieres ouvragees en bentonite

    Energy Technology Data Exchange (ETDEWEB)

    Marty, N

    2006-11-15

    The originality of this work is to process feed back effects of mineralogical and chemical modifications of clays, in storage conditions, on their physical properties and therefore on their transport characteristics (porosity, molecular diffusion, permeability). These feed back effects are modelled using the KIRMAT code (Kinetic of Reaction and MAss Transfer) developed from the kinetic code KINDIS by adding the effect of water renewal in the mineral-solution reactive cells. KIRMAT resolves mass balance equations associated with mass transport together with the geochemical reactions in a 1D approach. After 100 000 years of simulated interaction at 100 C, with the fluid of the Callovo-Oxfordian geological level (COX) and with iron provided by the steel overpack corrosion, the montmorillonite of the clay barrier is only partially transformed (into illite, chlorite, saponite...). Only outer parts of the modelled profile seem to be significantly affected by smectite dissolution processes, mainly at the interface with the geological environment. The modifications of physical properties show a closure of the porosity at the boundaries of the barrier, by creating a decrease of mass transport by molecular diffusion, essentially at the interface with the iron. Permeability laws applied to this system show a decrease of the hydraulic conductivity correlated with the porosity evolution. Near the COX, the swelling pressure of the clays from the barrier decreases. In the major part of the modelled profile, the engineered clay barrier system seems to keep its initial physical properties (porosity, molecular diffusion, permeability, swelling pressure) and functionalities. (author)

  13. Sequential charged particle reaction

    International Nuclear Information System (INIS)

    Hori, Jun-ichi; Ochiai, Kentaro; Sato, Satoshi; Yamauchi, Michinori; Nishitani, Takeo

    2004-01-01

    The effective cross sections for producing the sequential reaction products in F82H, pure vanadium and LiF with respect to the 14.9-MeV neutron were obtained and compared with the estimation ones. Since the sequential reactions depend on the secondary charged particles behavior, the effective cross sections are corresponding to the target nuclei and the material composition. The effective cross sections were also estimated by using the EAF-libraries and compared with the experimental ones. There were large discrepancies between estimated and experimental values. Additionally, we showed the contribution of the sequential reaction on the induced activity and dose rate in the boundary region with water. From the present study, it has been clarified that the sequential reactions are of great importance to evaluate the dose rates around the surface of cooling pipe and the activated corrosion products. (author)

  14. Density functional theory studies on electronic properties of thiophene s oxides as aromatic dienophiles for reactivity prediction in diels-alder reactions

    International Nuclear Information System (INIS)

    Banjo, S.

    2013-01-01

    The reactivity of thiophene S-oxides was discussed with special emphasis on the use of thiophene S-oxides as dienophiles in Diels-Alder type reactions. The omega values obtained for thiophene S-oxide (TO) with electron-donating group (-CH/sub 3/) increased the nucleophilicity power whereas substitution with electron-withdrawing groups (such as -NO/sub 2/ and -CO/sub 2/CH/sub 2/CH/sub 3/) increased the electrophilicity power, indicating an increase of reactivity towards a nucleophiles. The higher the value of delta omega the more favourable the D-A process, therefore apart from (4+2) addition reactions of these TO as diene with the typical dienophiles like 1,2-dicyanoethene and 1,2-dicyanoethene, it could be possible for TO with strong electron withdrawing substituents to serve as dienophile, e.g. heterocycles Ie and If. Also, from the value of delta omega heterocycle 1d could involve in (4+2) addition reactions with heterocyles 1e and If. (author)

  15. Importance classification

    International Nuclear Information System (INIS)

    Mizumachi, Wataru; Kobayashi, Masahide

    2008-01-01

    Conventionally, the design of a nuclear reactor has been performed from a viewpoint of a safety function and the importance on earthquake-proof on the basis of not giving off the mainly included radioactivity outside. In this Niigataken-Chuetsuoki earthquake, there is almost no damage to the system, components and structure on safe also in the earthquake beyond assumption, and the validity of the design was checked. But, the situation peculiar to a big earthquake was also generated. The emergency plan room which should serve as a connection center with the exterior was not able to open a door and use at the beginning. Fire-extinguishing system piping fractured and self-defense fire fighting was not made. And so on. Discussion from the following three viewpoints was performed. 1st: The importance from a viewpoint which should maintain a function also with the disaster in case of an earthquake like an emergency plan room etc. 2nd: In the earthquake, since the safe system and un-safe system was influenced, the importance from a viewpoint which may have influence safely inquired when the un-safe system broke down. 3rd: Although it was not directly related safely, discussion from a viewpoint which influences fear of insecurity, such as taking out smoke, for example, was performed (author)

  16. Allergic reactions

    Science.gov (United States)

    ... that don't bother most people (such as venom from bee stings and certain foods, medicines, and pollens) can ... person. If the allergic reaction is from a bee sting, scrape the ... more venom. If the person has emergency allergy medicine on ...

  17. Selected aspects of fusion reactions

    International Nuclear Information System (INIS)

    Lacroix, D.

    2003-01-01

    In this lecture, we present selected aspects of nuclear fusion. The importance of the initial geometry of the reaction and its relation to fusion barrier are first discussed. The effect of deformation leading to the notion of barrier distribution is then illustrated. After a brief overview of the advantages of macroscopic theories, the dynamics of nuclear system under large amplitude motion is reviewed. The di-nuclear concept is presented to understand the competition between fusion and quasi-fission. This concept is then generalized to account for the dissipative dynamics in multidimensional collective space. The last part of this lecture is devoted to new aspects encountered with radioactive beams specific properties of very extended neutron rich system, influence of pygmy or soft dipole resonances and charge exchange far from stability are discussed. (author)

  18. About the role of physico-chemical properties and hydrodynamics on the progress of a precipitation reaction: the case of cerium oxalate particles produced during the coalescence of drops

    International Nuclear Information System (INIS)

    Jehannin, Marie

    2015-01-01

    The nucleation and growth of solid particles resulting from a precipitation process is an important topic both for fundamental science and industrial applications. In a precipitation process, different reactants, which are individually soluble in the same solvent, get in contact and react to form insoluble solid particles (the precipitate). The properties of the produced particles are the result of a strong coupling between the chemical reaction and the reactants feed and mixing rates. The latter are mainly provided by diffusive and convective transport through a reaction-diffusion-convection process. In the emulsion precipitation process considered here the reactants are enclosed into droplets. The local transport conditions can be modified in many ways by tuning the relevant parameters and thus be used to control the properties of the precipitated particles. The aim of this study is to investigate the impact of local flow and mixing conditions during the coalescence on the precipitates properties, mainly their size, morphology and distribution. The test system consists of two coalescing droplets: one drop contains oxalic acid dissolved in an aqueous solution, while the other one contains cerium nitrate. Upon contact of the two miscible solutions a precipitate of cerium oxalate is formed. Besides, by adding chosen amounts of diols into the droplets, their surface tensions can be adjusted. Differences in surface tension cause a surface tension gradient in the section where both drops get in contact. This can lead to a Marangoni flow directed from the low surface tension interface to the high surface tension interface. This local convective flow will modify the local mixing conditions of the two solutions. This study focuses on how, where, when, which precipitate forms as function of the initial stoichiometry of the reactants and of the process conditions (e.g. the mixing conditions affected by the Marangoni flow). For this purpose, two configurations of coalescing

  19. Reaching to a featured formula to deduce the energy of the heaviest particles producing from the controlled thermonuclear fusion reactions

    Science.gov (United States)

    Majeed, Raad H.; Oudah, Osamah N.

    2018-05-01

    Thermonuclear fusion reaction plays an important role in developing and construction any power plant system. Studying the physical behavior for the possible mechanism governed energies released by the fusion products to precise understanding the related kinematics. In this work a theoretical formula controlled the general applied thermonuclear fusion reactions is achieved to calculating the fusion products energy depending upon the reactants physical properties and therefore, one can calculate other parameters governed a given reaction. By using this formula, the energy spectrum of 4He produced from T-3He fusion reaction has been sketched with respect to reaction angle and incident energy ranged from (0.08-0.6) MeV.

  20. The Importance Of Surface Topography For The Biological Properties Of Nitrided Diffusion Layers Produced On Ti6Al4V Titanium Alloy

    Directory of Open Access Journals (Sweden)

    Wierzchoń T.

    2015-09-01

    Full Text Available Diffusion nitrided layers produced on titanium and its alloys are widely studied in terms of their application for cardiac and bone implants. The influence of the structure, the phase composition, topography and surface morphology on their biological properties is being investigated. The article presents the results of a study of the topography (nanotopography of the surface of TiN+Ti2N+αTi(N nitrided layers produced in low-temperature plasma on Ti6Al4V titanium alloy and their influence on the adhesion of blood platelets and their aggregates. The TEM microstructure of the produced layers have been examined and it was demonstrated that the interaction between platelets and the surface of the titanium implants subjected to glow-discharge nitriding can be shaped via modification of the roughness parameters of the external layer of the TiN titanium nitride nanocrystalline zone.

  1. Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L. and their chemical compositions

    Science.gov (United States)

    Güder, Aytaç; Korkmaz, Halil; Gökce, Halil; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan

    2014-12-01

    In this study, isolation and characterization of trans-resveratrol (RES) as an antioxidant compound were carried out from VLE, VLG and VLS. Furthermore, antioxidant activities were evaluated by using six different methods. Finally, total phenolic, flavonoid, ascorbic acid, anthocyanin, lycopene, β-carotene and vitamin E contents were carried out. In addition, the FT-IR, 13C and 1H NMR chemical shifts and UV-vis. spectra of trans-resveratrol were experimentally recorded. Quantum chemical computations such as the molecular geometry, vibrational frequencies, UV-vis. spectroscopic parameters, HOMOs-LUMOs energies, molecular electrostatic potential (MEP), natural bond orbitals (NBO) and nonlinear optics (NLO) properties of title molecule have been calculated by using DFT/B3PW91 method with 6-311++G(d,p) basis set in ground state for the first time. The obtained results show that the calculated spectroscopic data are in a good agreement with experimental data.

  2. The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs.

    Science.gov (United States)

    Raeber, Alexandra E; Wong, Bryan M

    2015-05-12

    We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of nonempirically tuned range-separated functionals, for predicting a diverse set of electronic excitations in DNA nucleobase monomers and dimers. This large and extensive set of excitations comprises a total of 50 different transitions (for each tested DFT functional) that includes several n → π and π → π* valence excitations, long-range charge-transfer excitations, and extended Rydberg transitions (complete with benchmark calculations from high-level EOM-CCSD(T) methods). The presence of localized valence excitations as well as extreme long-range charge-transfer excitations in these systems poses a serious challenge for TD-DFT methods that allows us to assess the importance of both short- and long-range exchange contributions for simultaneously predicting all of these various transitions. In particular, we find that functionals that do not have both short- and full long-range exchange components are unable to predict the different types of nucleobase excitations with the same accuracy. Most importantly, the current study highlights the importance of both short-range exchange and a nonempirically tuned contribution of long-range exchange for accurately predicting the diverse excitations in these challenging nucleobase systems.

  3. Effect of deposition temperature of TiO2 on the piezoelectric property of PbTiO3 film grown by PbO gas phase reaction sputtering

    International Nuclear Information System (INIS)

    Kim, Jiyoon; Kim, Yunseok; Park, Moonkyu; No, Kwangsoo; Hong, Seungbum; Buehlmann, Simon; Kim, Yong Kwan

    2010-01-01

    A 17 nm thick PbTiO 3 (PTO) films were fabricated via PbO gas phase reaction with TiO 2 starting layer in a sputtering chamber. The influence of deposition temperature of TiO 2 on the piezoelectric properties of PTO thin films was investigated. The remnant piezoresponse of PTO films nonlinearly increased as a function of TiO 2 deposition temperature, which is correlated with the increase in average grain diameter of PTO film. As grain size increases, the restriction on remnant piezoresponse imposed by the grain boundary via coupling between local strain and polarization becomes less pronounced, which results in the increase in remnant piezoresponse. Furthermore, we found that the vertical shift in piezoresponse hysteresis loops is closely related to the residual stress state. A strong correlation between the negative vertical shift and the residual tensile stress reveals that residual stress on the resulting PTO film contributed to the asymmetric piezoelectric property.

  4. Chemical properties and reactive oxygen and nitrogen species quenching activities of dry sugar-amino acid maillard reaction mixtures exposed to baking temperatures.

    Science.gov (United States)

    Chen, Xiu-Min; Liang, Ningjian; Kitts, David D

    2015-10-01

    Maillard reaction products (MRPs) derived from 10 different, dry sugar-amino acid reaction model systems were examined for changes in color index (E), sugar loss, and formation of α-dicarbonyl compounds; the changes were correlated with relative activities to quench both reactive oxygen (ROS) and reactive nitrogen (RNS) species. Reducing sugars, xylose, ribose, fructose, glucose, and non-reducing sucrose were reacted with glycine (Xyl-Gly, Rib-Gly, Fru-Gly, Glc-Gly, and Suc-Gly), or lysine (Xyl-Lys, Rib-Lys, Fru-Lys, Glc-Lys, and Suc-Lys), respectively, at temperatures of 150°C and 180°C for time periods ranging from 5 to 60min. ROS quenching capacity was negatively correlated with color index (E) (r=-0.604, P<0.001), and positively correlated with sugar loss (r=0.567, P<0.001). MRPs also exhibited activity to quench RNS as assessed by nitric oxide (NO) inhibition in differentiated Caco-2 cells that were induced with interferon-γ (IFN-γ) and phorbol ester (PMA) cocktail. We also showed a correlation between RNS and color index, sugar loss, and ROS quenching activities for MR mixtures that were heated for a short time (e.g. 10min) at 150°C. MRP quenching of ROS was largely influenced by sugar type, whereas, RNS quenching was dependent more so on the interaction between reactants and reaction conditions used to generate MRPs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Unconventional imports

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.

    2001-01-01

    This article focuses on bitumens and bitumen products from Canadian oil sands and explores how they will affect the Canadian oil industry and the US refining industry. The falling production of crude, the growing demand for it, and the stagnating refining capacity in the US are reported, and Canadian and Mexican exports to the US, the definition of bitumens and bitumen quality, and the position of Canada as world leader in bitumen resources are considered. Bitumen production techniques, sales of bitumens and synthetic crude, the production outlook, and the quality and refining of bitumen and synthetic crude are examined. Plots illustrating North American crude refining capacity, production and demand for 1980-2000; US crude imports from Canada and Mexico (1981-2000), world proven oil reserves (2001), world bitumen resources, and Canadian oil production (1998-2000) are provided. Details of the composition of crudes and bitumens, and recent synthetic crude production are tabulated

  6. The importance of fuel properties in the formation of nitrogen oxides and in combustion; Polttoaineen ominaisuuksien merkitys typenoksidien muodostuksessa ja palamisessa

    Energy Technology Data Exchange (ETDEWEB)

    Aho, M.; Haemaelaeinen, J.; Rantanen, J.; Saastamoinen, J. [VTT Energia, Jyvaeskylae (Finland)

    1996-12-01

    Reactions of fuel nitrogen during pyrolysis and combustion of pulverized hvb coal, two peats and fir bark, thermal DeNOx-process and formation of N{sub 2}0 from char were studied experimentally in a pressurized entrained flow reactor. Mass loss of fuel, release of C,N,H and 0, and formation of NH{sub 3} and HCN were measured during pyrolysis (in N{sub 2} containing O{sub 2} < 50 ppm{sub vol}). Mass loss, and formation of NO, N{sub 2}O and NO{sub 2} through HCN and NH{sub 3} were measured during combustion at 5-4 vol% O{sub 2}. Thermal DeNOx process was studied at 2 and 15 bar at T= 700-950 deg C. Formation of N{sub 2}O from peat and its char was studied in a modified thermobalance. The rate of pyrolysis of high-volatile fuels (fir bark and peat) increased with pressure. A reverse trend was found with Polish hvb coal. The HCN/NH{sub 3} ratio in the flame was dependent on the fuel-O/fuel-N ratio and independent of pressure. Pressure did, however, increase the N{sub 2}O/NO ratio, because the concentrations of the key radicals in NO formation are decreased by pressure. With peats, the formation of N{sub 2}O increased slightly with pressure. The emissions of N{sub 2}O, however, doubled with wood bark when the pressure increased from 0.2 MPa to 0.8 MPa. Formation of NO{sub 2} increased clearly with pressure, and was fuel-dependent. One peat sample produced three times as much NO{sub 2} as the other under identical conditions. Pressure seemed to effect on Thermal DeNOx-process by lowering the effective temperature. Experiments with entrained flow of fuel and its char in project Liekki2-301, and experiments with single char and fuel particles in this project suggested that volatile nitrogen forms much more N{sub 2}O than char-N. Bed effects can change this situation in a real fluidized bed combustion process. (author)

  7. Sonochemical synthesis, characterization, and effects of temperature, power ultrasound and reaction time on the morphological properties of two new nanostructured mercury(II) coordination supramolecule compounds.

    Science.gov (United States)

    Hayati, Payam; Rezvani, Ali Reza; Morsali, Ali; Molina, Daniel Ruiz; Geravand, Samira; Suarez-Garcia, Salvio; Villaecija, Miguel Angel Moreno; García-Granda, S; Mendoza-Meroño, Rafael; Retailleau, Pascal

    2017-07-01

    Two new mercury(II) coordination supramolecular compounds (CSCs) (1D and 0D), [Hg(L)(I) 2 ] n (1) and [Hg 2 (L') 2 (SCN) 2 ]·2H 2 O (2) (L=2-amino-4-methylpyridine and L'=2,6-pyridinedicarboxlic acid), have been synthesized under different experimental conditions. Micrometric crystals (bulk) or nano-sized materials have been obtained depending on using the branch tube method or sonochemical irradiation. All materials have been characterized by field emission scanning electron microscope (FESEM), scanning electron microscopy (SEM), powder X-ray diffraction (PXRD) and FT-IR spectroscopy. Single crystal X-ray analyses on compounds 1 and 2 show that Hg 2+ ions are 4-coordinated and 5-coordinated, respectively. Topological analysis shows that the compound 1 and 2 have 2C1, sql net. The thermal stability of compounds 1 and 2 in bulk and nano-size has been studied by thermal gravimetric (TG), differential thermal analyses (DTA) for 1 and differential scanning calorimetry (DSC) for 2, respectively. Also, by changing counter ions were obtained various structures 1 and 2 (1D and 0D, respectively). The role of different parameters like power of ultrasound irradiation, reaction time and temperature on the growth and morphology of the nano-structures are studied. Results suggest that increasing power ultrasound irradiation and temperature together with reducing reaction time and concentration of initial reagents leads to a decrease in particle size. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Synthesis of Au@Pt bimetallic nanoparticles with concave Au nanocuboids as seeds and their enhanced electrocatalytic properties in the ethanol oxidation reaction

    Science.gov (United States)

    Tan, Lingyu; Li, Lidong; Peng, Yi; Guo, Lin

    2015-12-01

    Herein, a new type of uniform and well-structured Au@Pt bimetallic nanoparticles (BNPs) with highly active concave Au nanocuboids (NCs) as seeds was successfully synthesized by using the classic seed-mediated method. Electrochemical measurements were conducted to demonstrate their greatly enhanced catalytic performance in the ethanol oxidation reaction (EOR). It was found that the electrochemical performance for Au@Pt BNPs with the concave Au NCs as seeds, which were enclosed by {611} high-index facets, could be seven times higher than that of the Au@Pt bimetallic nanoparticles with regular spherical Au NPs as seeds. Furthermore, our findings show that the morphology and electrocatalytic activity of the Au@Pt BNPs can be tuned simply by changing the compositional ratios of the growth solution. The lower the amount of H2PtCl6 used in the growth solution, the thinner the Pt shell grew, and the more high-index facets of concave Au NCs seeds were exposed in Au@Pt BNPs, leading to higher electrochemical activity. These as-prepared concave Au@Pt BNPs will open up new strategies for improving catalytic efficiency and reducing the use of the expensive and scarce resource of platinum in the ethanol oxidation reaction, and are potentially applicable as electrochemical catalysts for direct ethanol fuel cells.

  9. Synthesis of Au@Pt bimetallic nanoparticles with concave Au nanocuboids as seeds and their enhanced electrocatalytic properties in the ethanol oxidation reaction

    International Nuclear Information System (INIS)

    Tan, Lingyu; Li, Lidong; Peng, Yi; Guo, Lin

    2015-01-01

    Herein, a new type of uniform and well-structured Au@Pt bimetallic nanoparticles (BNPs) with highly active concave Au nanocuboids (NCs) as seeds was successfully synthesized by using the classic seed-mediated method. Electrochemical measurements were conducted to demonstrate their greatly enhanced catalytic performance in the ethanol oxidation reaction (EOR). It was found that the electrochemical performance for Au@Pt BNPs with the concave Au NCs as seeds, which were enclosed by {611}high-index facets, could be seven times higher than that of the Au@Pt bimetallic nanoparticles with regular spherical Au NPs as seeds. Furthermore, our findings show that the morphology and electrocatalytic activity of the Au@Pt BNPs can be tuned simply by changing the compositional ratios of the growth solution. The lower the amount of H_2PtCl_6 used in the growth solution, the thinner the Pt shell grew, and the more high-index facets of concave Au NCs seeds were exposed in Au@Pt BNPs, leading to higher electrochemical activity. These as-prepared concave Au@Pt BNPs will open up new strategies for improving catalytic efficiency and reducing the use of the expensive and scarce resource of platinum in the ethanol oxidation reaction, and are potentially applicable as electrochemical catalysts for direct ethanol fuel cells. (paper)

  10. Limits for Stochastic Reaction Networks

    DEFF Research Database (Denmark)

    Cappelletti, Daniele

    Reaction systems have been introduced in the 70s to model biochemical systems. Nowadays their range of applications has increased and they are fruitfully used in dierent elds. The concept is simple: some chemical species react, the set of chemical reactions form a graph and a rate function...... is associated with each reaction. Such functions describe the speed of the dierent reactions, or their propensities. Two modelling regimes are then available: the evolution of the dierent species concentrations can be deterministically modelled through a system of ODE, while the counts of the dierent species...... at a certain time are stochastically modelled by means of a continuous-time Markov chain. Our work concerns primarily stochastic reaction systems, and their asymptotic properties. In Paper I, we consider a reaction system with intermediate species, i.e. species that are produced and fast degraded along a path...

  11. Measurement of conversion electrons with the $^{208}Pb(p,n)^{208}Bi$ reaction and derivation of the shell model proton neutron hole interaction from the properties of $^{208}Bi$

    CERN Document Server

    Maier, K H; Dracoulis, G D; Boutachkov, P; Aprahamian, A; Byrne, A P; Davidson, P M; Lane, G L; Marie-Jeanne, Mélanie; Nieminen, P; Watanabe, H

    2007-01-01

    Conversion electrons from 208Bi have been measured using singles and coincidence techniques with the 208Pb(p,n)208Bi reaction at 9 MeV. The new information on multipolarities and spins complements that available from recent gamma-gamma-coincidence studies with the same reaction [Boutachkov et al., Nucl. Phys. A768, 22 (2006)]. The results on electromagnetic decays taken together with information on spectroscopic factors from earlier single-particle transfer reaction measurements represent an extensive data set on the properties of the one-proton one-neutron-hole states below 3 MeV, a spectrum which is virtually complete. Comparison of the experimental observables, namely, energies, spectroscopic factors, and gamma-branching ratios, with those calculated within the shell model allows extraction of the matrix elements of the shell model residual interaction. More than 100 diagonal and nondiagonal elements can be determined in this way, through a least squares fit to the experimental data. This adjustment of the...

  12. Effect of ultrasound treatment on the wet heating Maillard reaction between mung bean [Vigna radiate (L.)] protein isolates and glucose and on structural and physico-chemical properties of conjugates.

    Science.gov (United States)

    Wang, Zhongjiang; Han, Feifei; Sui, Xiaonan; Qi, Baokun; Yang, Yong; Zhang, Hui; Wang, Rui; Li, Yang; Jiang, Lianzhou

    2016-03-30

    The objective of this study was to determine the effect of ultrasound treatment on the wet heating Maillard reaction between mung bean protein isolates (MBPIs) and glucose, and on structural and physico-chemical properties of the conjugates. The degree of glycosylation of MBPI-glucose conjugates treated by ultrasound treatment and wet heating (MBPI-GUH) was higher than that of MBPI-glucose conjugates only treated by wet heating (MBPI-GH). Solubility, emulsification activity, emulsification stability and surface hydrophobicity of MBPI-GUH were higher than that of MBPI-GH. Grafted MBPIs had a lower content of α-helix and unordered coil, but a higher content of β-sheet and β-turn structure than MBPIs. No significant structural changes were observed in β-turn and random coil structure of MBPI-GUH, while α-helix content increased with ultrasonic time, and decreased at 300 W ultrasonic power with the increase of β-sheet. MBPI-GUH had a less compact tertiary structure compared to MBPI-GH and MBPI. Grafting MBPIs with glucose formed conjugates of higher molecular weight, while no significant changes were observed in electrophoresis profiles of MBPI-GUH. Ultrasound-assisted wet heating Maillard reaction between MBPIs and glucose could be a promising way to improve functional properties of MBPIs. © 2015 Society of Chemical Industry.

  13. Multi-step direct reactions

    International Nuclear Information System (INIS)

    Koning, A.J.

    1992-07-01

    In recent years a variety of statistical theories has been developed concerning multistep direct (MSD) nuclear reactions. In addition, dominant in applications is a whole class of semiclassical models that may be subsumed under the heading of 'generalized exciton models'; these are basically MSD-type extensions on top of compound-like concepts. In this report the relation between their underlying statistical MSD-postulates are highlighted. A command framework is sketched that enables to generate the various MSD theories through assigning statistical properties to different parts of the nuclear Hamiltonian. Then it is shown that distinct forms of nuclear randomness are embodied in the mentioned theories. All these theories appear to be very similar at a qualitative level. In order to explain the high energy-tails and forward-peaked angular distribution typical for particles emitted in MSD reactions, it is imagined that the incident continuum particle stepwise looses its energy and direction in a sequence of collisions, thereby creating new particle-hole pairs in the target system. At each step emission may take place. The statistical aspect comes in because many continuum states are involved in the process. These are supposed to display chaotic behavior, the associated randomness assumption giving rise to important simplifications in the expression for MSD emission cross sections. This picture suggests that mentioned MSD models can be interpreted as a variant of essentially one and the same theory. 113 refs.; 25 figs.; 9 tabs

  14. Ion-Molecule Reaction Dynamics.

    Science.gov (United States)

    Meyer, Jennifer; Wester, Roland

    2017-05-05

    We review the recent advances in the investigation of the dynamics of ion-molecule reactions. During the past decade, the combination of single-collision experiments in crossed ion and neutral beams with the velocity map ion imaging detection technique has enabled a wealth of studies on ion-molecule reactions. These methods, in combination with chemical dynamics simulations, have uncovered new and unexpected reaction mechanisms, such as the roundabout mechanism and the subtle influence of the leaving group in anion-molecule nucleophilic substitution reactions. For this important class of reactions, as well as for many fundamental cation-molecule reactions, the information obtained with crossed-beam imaging is discussed. The first steps toward understanding micro-solvation of ion-molecule reaction dynamics are presented. We conclude with the presentation of several interesting directions for future research.

  15. Reaction mechanisms of metal complexes

    CERN Document Server

    Hay, R W

    2000-01-01

    This text provides a general background as a course module in the area of inorganic reaction mechanisms, suitable for advanced undergraduate and postgraduate study and/or research. The topic has important research applications in the metallurgical industry and is of interest in the science of biochemistry, biology, organic, inorganic and bioinorganic chemistry. In addition to coverage of substitution reactions in four-, five- and six-coordinate complexes, the book contains further chapters devoted to isomerization and racemization reactions, to the general field of redox reactions, and to the reactions of coordinated ligands. It is relevant in other fields such as organic, bioinorganic and biological chemistry, providing a bridge to organic reaction mechanisms. The book also contains a chapter on the kinetic background to the subject with many illustrative examples which should prove useful to those beginning research. Provides a general background as a course module in the area of inorganic reaction mechanis...

  16. Composition control of low-volatile solids through chemical vapor transport reactions. III. The example of gallium monoselenide: Control of the polytypic structure, non-stoichiometry and properties

    International Nuclear Information System (INIS)

    Zavrazhnov, A.; Naumov, A.; Sidey, V.; Pervov, V.

    2012-01-01

    Highlights: ► This work is devoted to the composition control of solids with selective CVT method. ► Phase identity and non-stoichiometry of solids (GaSe, etc.) depend on CVT-temperatures. ► The interrelation between the properties of GaSe and CVT conditions is also found. ► For iodide transporting system the diagram of phase stability of solids is adjusted. ► High temperatures and Se-rich non-stoichiometry are necessary for γ-GaSe stability. - Abstract: By means of particular examples, the present work demonstrates the possibility of directed delicate non-destructive control of structure, composition and properties of inorganic solids using the method of selective chemical vapor transport (SCVT). Gallium monoselenide GaSe is the main model object. Additional, though less detailed, explanation is given by the example of gallium monosulfide GaS. Experimental evidences on the possibility of the control of polytypic structure, non-stoichiometry and properties of gallium monoselenide were obtained in non-isothermal variant of selective chemical vapor transport which has non-destructive character. Diagnostics of the phase (polytypic) composition and non-stoichiometry of GaSe was performed with the use of X-ray diffractometry as well as with the use of cathode luminescence spectra. It was experimentally found that there exists a connection of non-stoichiometry and the properties of gallium selenides with the determining conditions of selective chemical vapor transport: temperature of controlled sample (T 2 ) and the difference of temperatures between the hot and cold zones (ΔT). It is shown that the phase diagram of Ga–Se system needs to be partially revised near the composition of Ga 1 Se 1 . The reason for such revision is the fact that two polytypes (ε-GaSe and γ-GaSe) exist on this phase diagram as independent phases.

  17. Tailoring the properties of thermoplastic starch by blending with cinnamyl alcohol and radiation processing: An insight into the competitive grafting and scission reactions

    International Nuclear Information System (INIS)

    Khandal, Dhriti; Mikus, Pierre-Yves; Dole, Patrice; Bliard, Christophe; Soulestin, Jérémie; Lacrampe, Marie-France; Baumberger, Stéphanie; Coqueret, Xavier

    2012-01-01

    The present paper focuses on the effects of electron beam (EB) irradiation on thermoplastic materials based on destructurized starch including glycerol and water as plasticizers to assess the potentiality of cinnamyl alcohol as reactive additive capable of counterbalancing the degradation of the polysaccharide by inducing interchain covalent linkages. The tensile properties at break of test specimens of controlled composition submitted to EB irradiation at doses ranging from 50 to 200 kGy revealed the presence of competitive chain scission and bridging in samples containing cinnamyl alcohol at a relative concentration of 2.5% with regard to dry starch. The occurrence of crosslinking under particular conditions was evidenced by gel fraction measurements. The treatment under radiation was also applied to model blends including maltodextrin as a model for starch and the other ingredients to gain an insight into the radiation induced mechanisms at the molecular level. The presence of cinnamyl alcohol is found to limit degradation. Size exclusion chromatography and gel fraction allowed to monitor the effects and confirmed unambiguously the attachment of UV-absorbing chromophores onto the maltodextrin main chain. The combination of the obtained results demonstrates the possibility of altering in a favorable way the tensile properties of plasticized starch by applying high energy radiation to properly formulated blends including aromatic compounds like cinnamyl alcohol. - Highlights: ► Assessment of the potentiality of cinnamyl alcohol as an additive capable of counterbalancing the degradation of the polysaccharide. ► Tensile properties of test specimens of controlled composition submitted to EB irradiation revealed the presence of competitive chain scission and bridging in samples containing 2.5 wt% cinnamyl alcohol. ► Gel fraction measurements confirmed that grafting was overcoming chain scission. ► Possibility of altering in a favorable way the tensile

  18. On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. V. Comparison and Properties of Electrochemical and Chemical Rate Constants

    Science.gov (United States)

    Marcus, R. A.

    1962-01-01

    Using a theory of electron transfers which takes cognizance of reorganization of the medium outside the inner coordination shell and of changes of bond lengths inside it, relations between electrochemical and related chemical rate constants are deduced and compared with the experimental data. A correlation is found, without the use of arbitrary parameters. Effects of weak complexes with added electrolytes are included under specified conditions. The deductions offer a way of coordinating a variety of data in the two fields, internally as well as with each those in another. For example, the rate of oxidation or reduction of a series of related reactants by one reagent is correlated with that of another and with that of the corresponding electrochemical oxidation-reduction reaction, under certain specified conditions. These correlations may also provide a test for distinguishing an electron from an atom transfer mechanism. (auth)

  19. Influence of substrate on structural, morphological and optical properties of TiO2 thin films deposited by reaction magnetron sputtering

    Directory of Open Access Journals (Sweden)

    Xinghua Zhu

    2017-12-01

    Full Text Available Titanium dioxide (TiO2 films have been prepared by DC reaction magnetron sputtering technique on different substrates (glass, SiO2, platinum electrode-Pt, Silicon-Si. X-ray diffraction (XRD patterns showed that all TiO2 films were grown along the preferred orientation of (110 plane. Samples on Si and Pt substrates are almost monophasic rutile, however, samples on glass and SiO2 substrates accompanied by a weak anatase structure. Atomic force microscopy (AFM images revealed uniform grain distribution except for films on Pt substrates. Photoluminescence (PL spectra showed obvious intrinsic emission band, but films on glass was accompanied by a distinct defect luminescence region. Raman spectroscopy suggested that all samples moved to high wavenumbers and films on glass moved obviously.

  20. Electrical and optical properties of Bi2S3 thin films deposited by successive ionic layer adsorption and reaction (SILAR) method

    International Nuclear Information System (INIS)

    Ubale, A.U.; Daryapurkar, A.S.; Mankar, R.B.; Raut, R.R.; Sangawar, V.S.; Bhosale, C.H.

    2008-01-01

    Bi 2 S 3 thin films were prepared on amorphous glass substrates by successive ionic layer adsorption and reaction (SILAR) method at room temperature using bismuth nitrate and thioacetamide as the cationic and anionic precursors in aqueous medium. The X-ray diffraction study reveals that as-deposited films of Bi 2 S 3 are amorphous in nature, it becomes polycrystalline after annealing at 573 K. The decrease in activation energy from 0.65 to 0.36 eV and optical band gap energy, E g , from 2.35 to 1.86 eV are observed as film thickness varies from 67 to 150 nm. Such changes are attributed to the quantum size effect in semiconducting films

  1. Studies on the Luminescence Properties of CaZrO3:Eu3+ Phosphors Prepared by the Solid State Reaction Method

    OpenAIRE

    Sahu, Ishwar Prasad; Bisen, D.P.; Tamrakar, R.K.; Murthy, K.V.R.; Mohapatra, M.

    2017-01-01

    CaZrO3:xEu3+ (x = 1.0, 2.0, 3.0, 4.0, and 5.0 mol%) phosphors were successfully prepared by a solid state reaction method. The crystal structure of sintered phosphors was hexagonal phase with space group of Pm-3m. The near ultra-violet (NUV) excitation, emission spectra of the CaZrO3:xEu3+ phosphors were composed of sharp line emission associated with the transitions from the excited states 5D0 to the ground state 7Fj (j = 0, 1, 2, 3, 4) of Eu3+. The results indicated that CaZrO3:xEu3+ might ...

  2. Properties and decay modes of hot nuclei produced in the reaction: 36Ar on 58Ni and detected with INDRA device

    International Nuclear Information System (INIS)

    Nalpas, L.

    1997-01-01

    Hot nuclei are formed in heavy ion collisions covering the Fermi energy domain. According to the excitation energy deposited into these nuclei, several de-excitation processes can be observed, in particular the emission of complex fragments (Z ≥ 3) which remains poorly understood. The GANIL facility offers the possibility to cover the excitation function for the Ar on Ni reaction over a broad energy range from 32 to 95 MeV/u where the hot nuclei evolve from classical 'evaporation' to complete 'vaporization' into light particles (neutrons, isotopes of H, He). The study of reaction mechanisms shows that from peripheral to central collisions the total cross section is dominated by binary dissipative collisions. Both partners coming from well-characterized events with the INDRA detector are reconstructed using the 'Minimum Spanning Tree' method. Thus excitation energy up to 20 MeV/A are reached in the most violent collisions at the highest bombarding energy. The deposited energy is not shared in the mass ratio between the quasi-projectile and the quasi-target, the quasi-projectile being hotter. For total excitation energies ranging roughly from 2 to 8 MeV/A, the proportion of 'multifragmentation' events increases to reach a plateau at about 10 MeV/A due to the rising probability to have complete 'vaporization' of the system above 8 MeV/A. The steady increase of the temperature extracted from the double isotopic He-Li ratios with excitation energy for the quasi-projectile suggests a progressive evolution of the de-excitation processes as predicted by statistical models. No signal of first order liquid-gas phase transition is seen in our data. (author)

  3. Modeling of Reaction Calorimeter

    OpenAIRE

    Farzad, Reza

    2014-01-01

    The purpose of this project was to model the reaction calorimeter in order to calculate the heat of absorption which is the most important parameter in this work. Reaction calorimeter is an apparatus which is used in measuring the heat of absorption of CO2 as well as the total pressure in vapor phase based on vapor-liquid equilibrium state. Mixture of monoethanolamine (MEA) and water was used as a solvent to absorb the CO2.Project was divided in to three parts in order to make the programming...

  4. Quasielastic reactions

    International Nuclear Information System (INIS)

    Hansen, O.

    1983-01-01

    A brief review is presented of the experimental and theoretical situation regarding transfer reactions and inelastic scattering. In the first category there is little (very little) precision data for heavy projectiles and consequently almost no experience with quantitative theoretical analysis. For the inelastic scattering the rather extensive data strongly supports the coupled channels models with collective formfactors. At the most back angles, at intensities about 10 -5 of Rutherford scattering, a second, compound-like mechanism becomes dominant. The description of the interplay of these two opposite mechanisms provides a new challenge for our understanding

  5. Chemical reactions directed Peptide self-assembly.

    Science.gov (United States)

    Rasale, Dnyaneshwar B; Das, Apurba K

    2015-05-13

    Fabrication of self-assembled nanostructures is one of the important aspects in nanoscience and nanotechnology. The study of self-assembled soft materials remains an area of interest due to their potential applications in biomedicine. The versatile properties of soft materials can be tuned using a bottom up approach of small molecules. Peptide based self-assembly has significant impact in biology because of its unique features such as biocompatibility, straight peptide chain and the presence of different side chain functionality. These unique features explore peptides in various self-assembly process. In this review, we briefly introduce chemical reaction-mediated peptide self-assembly. Herein, we have emphasised enzymes, native chemical ligation and photochemical reactions in the exploration of peptide self-assembly.

  6. Kinetic studies of elementary chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Durant, J.L. Jr. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  7. Flat Graphene-Enhanced Electron Transfer Involved in Redox Reactions.

    Science.gov (United States)

    Pan, Meilan; Zhang, Yanyang; Shan, Chao; Zhang, Xiaolin; Gao, Guandao; Pan, Bingcai

    2017-08-01

    Graphene is easily warped in the out-of-plane direction because of its high in-plane Young's modulus, and exploring the influence of wrinkled graphene on its properties is essential for the design of graphene-based materials for environmental applications. Herein, we prepared wrinkled graphene (WGN-1 and WGN-2) by thermal treatment and compared their electrochemical properties with those of flat graphene nanosheets (FGN). FGN exhibit activities that are much better than those of wrinkled graphene nanosheets (WGN), not only in the electrochemical oxidation of methylene blue (MB) but also in the electrochemical reduction of nitrobenzene (NB). Transformation ratios of MB and NB in FGN, WGN-1, and WGN-2 were 97.5, 80.1, and 57.9% and 94.6, 92.1, and 81.2%, respectively. Electrochemical impedance spectroscopy and the surface resistance of the graphene samples increased in the following order: FGN reaction charges transfer faster across the reaction interfaces and along the surface of FGN than that of WGN, and wrinkles restrict reaction charge transfer and reduce the reaction rates. This study reveals that the morphology of the graphene (flat or wrinkle) greatly affects redox reaction activities and may have important implications for the design of novel graphene-based nanostructures and for our understanding of graphene wrinkle-dependent redox reactions in environmental processes.

  8. Preparation methods, reactivity and biological importance of 4-thiazolidinones; Metodos de obtencao, reatividade e importancia biologica de 4-tiazolidinonas

    Energy Technology Data Exchange (ETDEWEB)

    Liesen, Andre P.; Aquino, Thiago M. de; Goes, Alexandre J.S. [Universidade Federal de Pernambuco (UFPE)e, PE (Brazil). Dept. de Antibioticos]. E-mail: ajsg@ufpe.br; Lima, Jose G. de; Faria, Antonio R. de; Alves, Antonio J. [Universidade Federal de Pernambuco (UFPE)e, PE (Brazil). Dept. de Ciencias Farmaceuticas

    2008-07-01

    Molecules containing the 4-thiazolidinone ring are known to possess a wide range of biological properties including antimicrobial and antiinflammatory activities among others. These compounds can be synthesized by cyclization reactions involving alpha-haloacetic acid or alpha-mercaptoacetic acid and employed in several chemoselective reactions. Comprehensive reviews have been written on 4-thiazolidinones in 1961 by Brown and in 1980 by Singh et al. In the recent literature, some new synthesis methods for 4-thiazolidinone derivatives and several reactions have been reported. These advances warrant to review the chemical and biological properties of compounds with this important heterocycle employed in synthetic organic chemistry and medicinal chemistry (author)

  9. Nuclear reactions

    International Nuclear Information System (INIS)

    Corner, J.; Richardson, K.; Fenton, N.

    1990-01-01

    Nuclear reactions' marks a new development in the study of television as an agency of public policy debate. During the Eighties, nuclear energy became a major international issue. The disasters at Three-mile Island and Chernobyl created a global anxiety about its risks and a new sensitivity to it among politicians and journalists. This book is a case-study into documentary depictions of nuclear energy in television and video programmes and into the interpretations and responses of viewers drawn from many different occupational groupings. How are the complex and specialist arguments about benefit, risk and proof conveyed through the different conventions of commentary, interview and film sequence? What symbolic associations does the visual language of television bring to portrayals of the issue? And how do viewers make sense of various and conflicting accounts, connecting what they see and hear on the screen with their pre-existing knowledge, experience and 'civic' expectations. The authors examine some of the contrasting forms and themes which have been used by programme makers to explain and persuade, and then give a sustained analysis of the nature and sources of viewers' own accounts. 'Nuclear Reactions' inquires into the public meanings surrounding energy and the environment, spelling out in its conclusion some of the implications for future media treatments of this issue. It is also a key contribution to the international literature on 'television knowledge' and the processes of active viewing. (author)

  10. Properties of solvated electrons, alkali anions and other species in metal solutions and kinetics of cation and electron exchange reactions. Final report

    International Nuclear Information System (INIS)

    Dye, J.L.

    1979-01-01

    The properties of solutions of alkali metals in amine solvents were studied by optical, ETR, NMR and electrochemical methods. Complexation of the alkali cations by crown ethers and cryptands permitted the preparation of concentrated solutions of alkali metals in amine and ether solvents. Extensive alkali metal NMR studies of the exchange of M + with crown-ethers and cryptands and of the alkali metal anion, M - , were made. The first crystalline salt of an alkali metal anion, Na + Cryptand [2.2.2]Na - was synthesized and characterized and led to the preparation of other alkali metal anion salts. This research provided the foundation for continuing studies of crystalline alkalide salts

  11. Characterizing multistationarity regimes in biochemical reaction networks.

    Directory of Open Access Journals (Sweden)

    Irene Otero-Muras

    Full Text Available Switch like responses appear as common strategies in the regulation of cellular systems. Here we present a method to characterize bistable regimes in biochemical reaction networks that can be of use to both direct and reverse engineering of biological switches. In the design of a synthetic biological switch, it is important to study the capability for bistability of the underlying biochemical network structure. Chemical Reaction Network Theory (CRNT may help at this level to decide whether a given network has the capacity for multiple positive equilibria, based on their structural properties. However, in order to build a working switch, we also need to ensure that the bistability property is robust, by studying the conditions leading to the existence of two different steady states. In the reverse engineering of biological switches, knowledge collected about the bistable regimes of the underlying potential model structures can contribute at the model identification stage to a drastic reduction of the feasible region in the parameter space of search. In this work, we make use and extend previous results of the CRNT, aiming not only to discriminate whether a biochemical reaction network can exhibit multiple steady states, but also to determine the regions within the whole space of parameters capable of producing multistationarity. To that purpose we present and justify a condition on the parameters of biochemical networks for the appearance of multistationarity, and propose an efficient and reliable computational method to check its satisfaction through the parameter space.

  12. Extension of a Kinetic-Theory Approach for Computing Chemical-Reaction Rates to Reactions with Charged Particles

    Science.gov (United States)

    Liechty, Derek S.; Lewis, Mark J.

    2010-01-01

    Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction rate information) are extended to include reactions involving charged particles and electronic energy levels. The proposed extensions include ionization reactions, exothermic associative ionization reactions, endothermic and exothermic charge exchange reactions, and other exchange reactions involving ionized species. The extensions are shown to agree favorably with the measured Arrhenius rates for near-equilibrium conditions.

  13. Thermoluminescent properties of polycrystalline carbon doped LaAlO3/La(OH)3 crystals synthesized by solid state reaction for application in UV dosimetry

    International Nuclear Information System (INIS)

    Alves, N.; Oliveira de F, L.; Barbosa F, W.

    2017-10-01

    It is well known that UV radiation can induce certain deleterious effects, such as erythema, painful inflammation of the membrane of the eye and skin cancer. Therefore, it has been pushing the research for producing new and high performance UV sensitive Tl materials. There is an increasing interest in the development of new Tl materials for ultraviolet (UV) dosimetry purposes, owing to simplicity of the sample readout compared to other techniques. In this paper, thermoluminescence and dosimetric characteristics of pure and carbon doped lanthanum aluminate and hydroxide lanthanum crystals, irradiated with different UV doses, were studied and discussed. All samples studied were produced by solid state reaction method with different mixing methodologies. Characterization of sintered powders by X-ray diffraction, UV-Vis spectrophotometry and Ftir spectroscopy were performed. XRD data confirmed the LaAlO 3 and La(OH) 3 crystalline phases. The thermoluminescent study revealed that all compositions presented high UV sensibility. The sample which was grown by first sintering La 2 O 3 together carbon atoms and then sintering again in order to obtain La 2 O 3 :C together Al 2 O 3 , presented the best linear dose response over UV doses ranging from 0.042 to 0.63 mJ/cm 2 , with correlation coefficients equal to 0.99931. The synthesis methodology used was very efficient to obtain crystals with high Tl output intensities for low exposure rate UV R fields. (Author)

  14. Synthesis and properties of sulfonated poly(phenylene sulfone)s without ether linkage by Diels–Alder reaction for PEMFC application

    International Nuclear Information System (INIS)

    Lim, Youngdon; Lee, Hyunchul; Lee, Soonho; Jang, Hohyoun; Hossain, Md. Awlad; Cho, Younggil; Kim, Taeho; Hong, Youngtaik; Kim, Whangi

    2014-01-01

    A new sulfonated poly(phenylene sulfone) polymer (SPPS) was synthesized by Diels-Alder polymerization from 1,4-bis(2,4,5-triphenylcyclopentadienone)benzene (BTPCPB) and 4,4′-diethynylphenylsulfone, and followed by sulfonation reaction with chlorosulfuric acid. A series of sulfonated poly(phenylene sulfone)s (SPPS) with different degrees of sulfonation was prepared in a controllable manner with chlorosulfuric acid. These polymers showed good solubility in aprotic polar solvents, dimethyl acetamide (DMAC) and dimethyl sulfoxide (DMSO). Three different polymer membranes were studied by 1 H NMR spectroscopy, and thermogravimetric analysis (TGA). The ion exchange capacity (IEC) and proton conductivity of SPPS were evaluated according to the degrees of sulfonation. The water uptake (WU) of the synthesized SPPS membranes ranged from 38%∼75%, compared with 32% for Nafion 211 ® at 80 °C. The SPPS membranes exhibited proton conductivities (at 80 °C under 90% RH) of 110.2 mS/cm compared with 102.7 mS/cm for Nafion 211 ® . Power density was performed by single cell and showed similar to Nafion value

  15. Physical properties of nanostructured (PbSx(CuS1−x composite thin films grown by successive ionic layer adsorption and reaction method

    Directory of Open Access Journals (Sweden)

    A.U. Ubale

    2016-03-01

    Full Text Available Nanostructured ternary semiconducting (PbSx(CuS1−x thin films were grown on glass substrates by successive ionic layer adsorption and reaction (SILAR technique at room temperature. The structural, morphological and optical characterizations of the films were carried out by X-ray diffraction, scanning electron microscopy and UV–Vis spectrophotometer respectively. The structural studies revealed that, (PbSx(CuS1−x films are nanocrystalline in nature and have mixed phase of cubic PbS and hexagonal CuS. The optical absorption measurements showed that band gap energy of (PbSx(CuS1−x can be engineered between 2.57 and 2.28 eV by varying compositional parameter ‘x’. The room temperature dc dark electrical resistivity of PbS film is found to be 28.85 Ωcm and it decreases when content of Cu in composite increases and becomes 0.05 Ωcm for pure CuS. The thermo-emf measurements showed that the as deposited (PbSx(CuS1−x films are of n-type. The water angle contact measurements of (PbSx(CuS1−x, revealed that, films are hydrophilic in nature and it could be advantageous in electrochemical application.

  16. Luminescence Properties of Self-Activated Mm(VO4)2 (M = Mg, Ca, Sr, and Ba) Phosphors Synthesized by Solid-State Reaction Method.

    Science.gov (United States)

    Min, Xin; Huang, Zhaohui; Fang, Minghao; Liu, Yan'gai; Tang, Chao; Wu, Xiaowen

    2016-04-01

    In this paper, M3(VO4)2 (M = Mg, Ca, Sr, and Ba) self-activated phosphors were prepared by a solid-state reaction method at 1,000 °C for 5 h. The phase formation and micrographs were analyzed by X-ray diffraction and scanning electron microscopy. The Ca3(VO4)2 phosphor does not show any emission peaks under excitation with ultraviolet (UV) light. However, the M3(VO4)2 (M = Mg, Sr, and Ba) samples are effectively excited by UV light chips ranging from 200 nm to 400 nm and exhibit broad emission bands due to the charge transfer from the oxygen 2p orbital to the vacant 3d orbital of the vanadium in the VO4. The color of these phosphors changes from yellow to light blue via blue-green with increasing ionic radius from Mg to Sr to Ba. The luminescence lifetimes and quantum yield decrease with the increasing unit cell volume and V-V distance, in the order of Mg3(VO4)2 to Sr3(VO4)2 to Ba3(VO4)2. The emission intensity decreases with the increase of temperatures, but presents no color shift. This confirms that these self-activated M3(VO4)2 phosphors can be suggested as candidates of the single-phase phosphors for light using UV light emitting diodes (LEDs).

  17. Structural characterization and optical properties of Eu"2"+ and Dy"2"+ doped Sr_2SiO_4 phosphor by solid state reaction method

    International Nuclear Information System (INIS)

    Verma, Durga; Verma, Mohan L.; Upma; Patel, R.P.

    2016-01-01

    Thermoluminescence, SEM, FTIR Divalent dysprosium and europium doped strontium silicate (Sr_2SiO_4) phosphors were synthesized with the high-temperature solid-state reaction technique. The obtained phosphor was well characterized by powder X-ray diffraction, scanning electron microscopy, FTIR, UV-visible spectroscopy and thermoluminescence. The crystal structure of the prepared phosphor has an orthorhombic structure with space group Pnma. From scanning electron microscopy (SEM), agglomerations of particles were observed due to the high temperature synthesis process. The chemical composition of the sintered Sr_2SiO_4:Dy"2"+ and Sr_2SiO_4: Eu"2"+ phosphor was confirmed by energy dispersive X-ray spectroscopy (EDX). The UV-VIS analysis can be thought as a good quality check for the optical behavior of materials. The Fourier transmission infrared spectroscopy (FTIR) confirms the present elements in phosphor. Thermoluminescence study was carried out for the phosphor with UV irradiation show one glow peak. The trapping parameters associated with the prominent glow peak of Sr_2SiO_4:Dy"2"+ and Sr_2SiO_4:Eu"2"+ are calculated using Chen's glow curve method. The release of holes/electrons from defect centers at the characteristic trap site initiates the luminescence process in this material. (author)

  18. The influence of reaction times on structural, optical and luminescence properties of cadmium telluride nanoparticles prepared by wet-chemical process

    Energy Technology Data Exchange (ETDEWEB)

    Kiprotich, Sharon, E-mail: KiprotichS@qwa.ufs.ac.za [Department of Physics, University of the Free State (QwaQwa campus), Private Bag X-13, Phuthaditjhaba 9866 (South Africa); Dejene, Francis B.; Ungula, Jatani [Department of Physics, University of the Free State (QwaQwa campus), Private Bag X-13, Phuthaditjhaba 9866 (South Africa); Onani, Martin O. [Departments of Chemistry, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa)

    2016-01-01

    This paper explains one pot synthesis of type II water soluble L-cysteine capped cadmium telluride (CdTe) core shell quantum dots using cadmium acetate, potassium tellurite and L-cysteine as the starting materials. The reaction was carried out in a single three necked flask without nitrogen under reflux at 100 °C. Results from PL show a sharp absorption excitonic band edge of the CdTe core with respect to the core shell which loses its shoulder during the growth of the shell on the core. The PL spectra indicate a drastic shift in emission window of the core which is simultaneously accompanied by an increase in emission intensity. X-ray diffraction pattern confirms the formation of hexagonal phase for all samples. Some difference in absorption edges were observed due to varying synthesis time of CdTe NPs. The position of the absorption band is observed to shift towards the lower wavelength side for shorter durations of synthesis.

  19. Effect of Zr addition on structure and electrical properties of SmFeO3 prepared by solid state reaction method

    Directory of Open Access Journals (Sweden)

    Abdalla M. Abdalla

    2017-12-01

    Full Text Available Series of Sm1-xFe1-3xZr3xO3 (SFZO, where x = 0.0, 0.01, 0.02, 0.033, 0.05, 0.1 and 0.15, was synthesised by the solid state reaction method and sintered at 1500 °C in air. X-ray diffraction (XRD and scanning electron microscopy (SEM were used to investigate the structure of the materials. The XRD results indicated that the pure SmFeO3 and Sm0.99Fe0.97Zr0.03O3 samples are single phase materials with an orthorhombic symmetry and Pbnm space group. The increase of Zr content (x ≥ 0.02 causes a phase change from single to two-phase system with orthorhombic (Pbnm and fluorite symmetry (Fm3m. The microstructural analyses showed that the Zr4+ doping resulted in an increase of porosity in the sintered SFZO compared to SmFeO3 sample. The direct current (DC electrical conductivity at 850 °C in air was found to be 0.045 S/cm and 0.007 S/cm for Sm0.99Fe0.97Zr0.03O3 and SmFeO3, respectively, showing a significant enhancement compared to the pure SmFeO3.

  20. A Chemical, High-Temperature Way to Ag1.9Te via Quasi-Topotactic Reaction of Stuetzite-type Ag1.54Te: Structural and Thermoelectric Properties.

    Science.gov (United States)

    Baumer, Franziska; Nilges, Tom

    2017-11-20

    Semiconducting silver tellurides gained reasonable interest in the past years due to its thermoelectric, magneto-caloric, and nonlinear optic properties. Nanostructuring has been frequently used to address quantum-confinement effects of minerals and synthetic compounds in the Ag-Te system. Here, we report on the structural, thermal, and thermoelectric properties of stuetzite-like Ag 1.54 Te (or Ag 4.63 Te 3 ) and Ag 1.9 Te. By a quasi-topotactic reaction upon tellurium evaporation Ag 1.54 Te can be transferred to Ag 1.9 Te after heat treatment. Crystal structures, thermal and thermoelectric properties of stuetzite-like Ag 1.54 Te (or Ag 4.63 Te 3 ) and Ag 1.9 Te were determined by ex situ and in situ experiments. This method represents an elegant chemical way to Ag 1.9 Te, which was so far only accessible electrochemically via electrochemical removal of silver from the mineral hessite (Ag 2 Te). The mixed conductors show reasonable high total electric conductivities, very low thermal conductivities, and large Seebeck coefficients, which result in a significant high thermoelectric figure of 0.57 at 680 K.

  1. Study of influence content of TiB2 by reaction in situ B4C and TiC in mechanical properties on B4C ceramics

    International Nuclear Information System (INIS)

    Coelho, M.L. Ramos; Bressiani, J.C.; Gomide, R.G.; Andrade, F.A. de

    2012-01-01

    The low density of ceramic materials promoted a change in research lines in the defense field. Research efforts and development directed to obtaining products of high density sintered of Al2O3, SiC and B4C, using different routes, both traditional as innovative, led to promising initial results, which justify the convergence of skills for the consolidation of research lines and the nationalization that sintered components of B4C with characteristics and properties compatible with the technical requirements established for the ballistic application. The low density of boron carbide (2.52 g/cm 3 ) gives in the final product a weight approximately 30% lower than armor made of alumina (3.96 g/cm 3 ). (author)

  2. Thermoluminescent properties of polycrystalline carbon doped LaAlO{sub 3}/La(OH){sub 3} crystals synthesized by solid state reaction for application in UV dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Alves, N.; Oliveira de F, L. [Federal University of the State of Minas Gerais, Department of Nuclear Engineering, Av. Pres. Antonio Carlos 6627, 31270-901 Belo Horizonte, Minas Gerais (Brazil); Barbosa F, W., E-mail: neire.radiologia@yahoo.com.br [Nuclear Technology Development Center, 941, 30161-970 Belo Horizonte, Minas Gerais (Brazil)

    2017-10-15

    It is well known that UV radiation can induce certain deleterious effects, such as erythema, painful inflammation of the membrane of the eye and skin cancer. Therefore, it has been pushing the research for producing new and high performance UV sensitive Tl materials. There is an increasing interest in the development of new Tl materials for ultraviolet (UV) dosimetry purposes, owing to simplicity of the sample readout compared to other techniques. In this paper, thermoluminescence and dosimetric characteristics of pure and carbon doped lanthanum aluminate and hydroxide lanthanum crystals, irradiated with different UV doses, were studied and discussed. All samples studied were produced by solid state reaction method with different mixing methodologies. Characterization of sintered powders by X-ray diffraction, UV-Vis spectrophotometry and Ftir spectroscopy were performed. XRD data confirmed the LaAlO{sub 3} and La(OH){sub 3} crystalline phases. The thermoluminescent study revealed that all compositions presented high UV sensibility. The sample which was grown by first sintering La{sub 2}O{sub 3} together carbon atoms and then sintering again in order to obtain La{sub 2}O{sub 3}:C together Al{sub 2}O{sub 3}, presented the best linear dose response over UV doses ranging from 0.042 to 0.63 mJ/cm{sup 2}, with correlation coefficients equal to 0.99931. The synthesis methodology used was very efficient to obtain crystals with high Tl output intensities for low exposure rate UV R fields. (Author)

  3. Luminescence properties of cerium-doped di-strontium magnesium di-silicate phosphor by the solid-state reaction method

    Science.gov (United States)

    Prasad Sahu, Ishwar

    2016-05-01

    A series of Sr2MgSi2O7:xCe3+ (x = 1.0%, 2.0%, 3.0%, 4.0% and 5.0%) phosphors were synthesized by the solid-state reaction method. The phosphor with optimum thermoluminescence, photoluminescence and mechanoluminescence (ML) intensity was characterized by X-ray diffraction, field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and Fourier transform infrared techniques. The trapping parameters (i.e. activation energy, frequency factor and order of the kinetics) of each synthesized phosphor have been calculated using the peak shape method and the results have been discussed. Under ultraviolet excitation (325 nm), Sr2MgSi2O7:xCe3+ phosphors were composed of a broad band peaking at 385 nm, belonging to the broad emission band which emits violet-blue color. Commission International de I'Eclairage coordinates have been calculated for each sample and their overall emission is near violet-blue light. In order to investigate the suitability of the samples for industrial uses, color purity and color rendering index were calculated. An ML intensity of optimum [Sr2MgSi2O7:Ce3+ (3.0%)] phosphor increases linearly with increasing impact velocity of the moving piston which suggests that these phosphors can be used as fracto-ML-based devices. The time of the peak ML intensity and the decay rate did not change significantly with respect to increasing impact velocity of the moving piston.

  4. Surface structure and reaction property of CuCl2-PdCl2 bimetallic catalyst in methanol oxycarbonylation: A DFT approach

    International Nuclear Information System (INIS)

    Meng, Qingsen; Wang, Shengping; Shen, Yongli; Yan, Bing; Wu, Yuanxin; Ma, Xinbin

    2014-01-01

    Surface structure of CuCl 2 -PdCl 2 bimetallic catalyst (Wacker-type catalyst) was built employing density functional theory (DFT) calculations, and the reaction mechanism of methanol oxycarbonylation over the CuCl 2 -PdCl 2 surfaces was also investigated. On the CuCl 2 -PdCl 2 surface, the active site for methanol oxidation was confirmed as Cu-Cl-Cu (Pd). Comparing with pure CuCl 2 surface, the introduction of Pd atom causes the electron repopulation on the surface and lowers the energy barrier for methanol oxidation, but the number of the active site decreases with the increasing of Pd doping volume. Agreed with previous experimental results, the Pd site is most favorable for the CO insertion, indicated by the lowest activation barrier for the formation of COOCH 3 on Pd atom. The lowest energy barrier for the formation of DMC appears when COOCH 3 species adsorbed on Pd atom and methoxyl adsorbed on Cu atoms, which is 0.42 eV. Finally, the reconstruction of the unsaturated surface is a spontaneous and exothermic process. Comparing with other surfaces, the rate-limiting step, methanol oxidation, on CuCl 2 -PdCl 2 surface with Pd/Cu = 1:17 has the lowest energy barrier, which is agreed with the experimental observation that PdCl 2 -CuCl 2 catalyst with Pd/Cu = 1:20 has the favorable activity. The adsorbed methoxyl will further lower the activation barrier of methanol oxidation, which is agreed with experimental observation that the Wacker-type catalysts have an induction period in the methanol oxidative carbonylation system.

  5. Role of Rhodobacter sphaeroides photosynthetic reaction center residue M214 in the composition, absorbance properties, and conformations of H(A) and B(A) cofactors.

    Science.gov (United States)

    Saer, Rafael G; Hardjasa, Amelia; Rosell, Federico I; Mauk, A Grant; Murphy, Michael E P; Beatty, J Thomas

    2013-04-02

    In the native reaction center (RC) of Rhodobacter sphaeroides, the side chain of (M)L214 projects orthogonally toward the plane and into the center of the A branch bacteriopheophytin (BPhe) macrocycle. The possibility that this side chain is responsible for the dechelation of the central Mg(2+) of bacteriochlorophyll (BChl) was investigated by replacement of (M)214 with residues possessing small, nonpolar side chains that can neither coordinate nor block access to the central metal ion. The (M)L214 side chain was also replaced with Cys, Gln, and Asn to evaluate further the requirements for assembly of the RC with BChl in the HA pocket. Photoheterotrophic growth studies showed no difference in growth rates of the (M)214 nonpolar mutants at a low light intensity, but the growth of the amide-containing mutants was impaired. The absorbance spectra of purified RCs indicated that although absorbance changes are associated with the nonpolar mutations, the nonpolar mutant RC pigment compositions are the same as in the wild-type protein. Crystal structures of the (M)L214G, (M)L214A, and (M)L214N mutants were determined (determined to 2.2-2.85 Å resolution), confirming the presence of BPhe in the HA pocket and revealing alternative conformations of the phytyl tail of the accessory BChl in the BA site of these nonpolar mutants. Our results demonstrate that (i) BChl is converted to BPhe in a manner independent of the aliphatic side chain length of nonpolar residues replacing (M)214, (ii) BChl replaces BPhe if residue (M)214 has an amide-bearing side chain, (iii) (M)214 side chains containing sulfur are not sufficient to bind BChl in the HA pocket, and (iv) the (M)214 side chain influences the conformation of the phytyl tail of the BA BChl.

  6. Coupled transport/reaction modelling with ion-exchange: Study of the long-term properties of bentonite buffer in a final repository

    International Nuclear Information System (INIS)

    Liu Jinsong; Neretnieks, I.

    1997-05-01

    Possible transformation of Na-montmorillonite to Ca-montmorillonite, by ion exchange, in the bentonite buffer in a final repository for spent nuclear fuel can lead to a drastic decrease in the swelling capacity and a significant increase in the permeability of the bentonite. The ion exchange mechanism has been studied, by using the coupled transport/reaction model. In most typical sites of the granite bedrock where there are no large fractures, groundwater flow is limited. The results of this study show that the ion-exchange process will be very slow in this case. Only a few percent of the total Na-montmorillonite is exchanged within 1 to 10 thousand years. When the groundwater flow in the bedrock is assumed to be unlimited, an upper bound of the conditions of the water flow, a sharp ion-exchange front can be formed and propagate within the bentonite buffer. When the groundwater is assumed to be the Aespoe water, with a high Ca concentration, the break-through time of the ion-exchange front can be a few thousand years. When the water is assumed to be Allard water with low Ca concentration, the break-through time can be as long as 10 5 to 10 6 years. When a canister has manufacturing defects, both the pyrite oxidation and the ion-exchange processes can occur simultaneously. A redox front and an ion-exchange front develop from both sides of the bentonite buffer. before the two fronts meet, they travel relatively independently in the bentonite. After they have met, they interact only marginally. Even if a large scale ion-exchange happens, the release of the dissolved uranium species from the bentonite to the rock can still be extremely small. The release is mainly controlled by the redox potential of pyrite oxidation

  7. Surface structure and reaction property of CuCl{sub 2}-PdCl{sub 2} bimetallic catalyst in methanol oxycarbonylation: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Qingsen [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Wang, Shengping, E-mail: spwang@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Shen, Yongli; Yan, Bing [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Wu, Yuanxin [School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan 430073 (China); Ma, Xinbin [Key Laboratory for Green Chemical Technology of Ministry of Education, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China)

    2014-02-15

    Surface structure of CuCl{sub 2}-PdCl{sub 2} bimetallic catalyst (Wacker-type catalyst) was built employing density functional theory (DFT) calculations, and the reaction mechanism of methanol oxycarbonylation over the CuCl{sub 2}-PdCl{sub 2} surfaces was also investigated. On the CuCl{sub 2}-PdCl{sub 2} surface, the active site for methanol oxidation was confirmed as Cu-Cl-Cu (Pd). Comparing with pure CuCl{sub 2} surface, the introduction of Pd atom causes the electron repopulation on the surface and lowers the energy barrier for methanol oxidation, but the number of the active site decreases with the increasing of Pd doping volume. Agreed with previous experimental results, the Pd site is most favorable for the CO insertion, indicated by the lowest activation barrier for the formation of COOCH{sub 3} on Pd atom. The lowest energy barrier for the formation of DMC appears when COOCH{sub 3} species adsorbed on Pd atom and methoxyl adsorbed on Cu atoms, which is 0.42 eV. Finally, the reconstruction of the unsaturated surface is a spontaneous and exothermic process. Comparing with other surfaces, the rate-limiting step, methanol oxidation, on CuCl{sub 2}-PdCl{sub 2} surface with Pd/Cu = 1:17 has the lowest energy barrier, which is agreed with the experimental observation that PdCl{sub 2}-CuCl{sub 2} catalyst with Pd/Cu = 1:20 has the favorable activity. The adsorbed methoxyl will further lower the activation barrier of methanol oxidation, which is agreed with experimental observation that the Wacker-type catalysts have an induction period in the methanol oxidative carbonylation system.

  8. The Paterno-Buchi reaction

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Yding; Schalk, Oliver; Boguslavskiy, Andrey E.

    2012-01-01

    The Paternò-Büchi (PB) reaction between an excited carbonyl compound and an alkene has been widely studied, but so far little is known about the excited-state dynamics of the reaction. In this investigation, we used a compound in which a formyl and a vinyl group are attached to a [2.......2]paracyclophane in order to obtain a model system in pre-reactive conformation for the PB reaction. We studied the excited-state dynamics of the isolated molecule in a molecular beam using femtosecond time-resolved photoelectron spectroscopy and ab initio calculations. The results show that inter-system crossing...... within two picoseconds competes efficiently with the reaction in the singlet manifold. Thus, the PB reaction in this model system takes place in the triplet state on a time scale of nanoseconds. This result stresses the importance of triplet states in the excited-state pathway of the PB reaction...

  9. Photoelectrochemical property of CdS and PbS cosensitized on the TiO2 array by novel successive ionic layer adsorption and reaction method

    International Nuclear Information System (INIS)

    Lv, Pin; Fu, Wuyou; Mu, Yannan; Sun, Hairui; Su, Shi; Chen, Yanli; Yao, Huizhen; Ding, Dong; Liu, Tie; Wang, Jun; Yang, Haibin

    2015-01-01

    Highlights: • (CdS + PbS)/TiO 2 NTWs array was firstly synthesized by novel SILAR (N-SILAR) method. • N-SILAR method could shorten time, simplify procedure, lower cost. • (CdS + PbS)/TiO 2 NTWs contain both PbS/CdS/TiO 2 and CdS/PbS/TiO 2 composites structure. • (CdS + PbS)/TiO 2 NTWs can improve electron transport and reduce chemical erosion both. • The photocurrent of (CdS + PbS)/TiO 2 NTWs was 4.1 mA/cm 2 —8 times as high as TiO 2 . - Abstract: TiO 2 film materials have very wide applications in photovoltaic conversion techniques. And, TiO 2 nanotubes array film with nanowires directly formed on top (denoted as TiO 2 NTWs) was prepared by the anodization method. CdS and PbS quantum dots (QDs) were firstly cosensitized on the TiO 2 NTWs array (denoted as (CdS + PbS)/TiO 2 NTWs) by novel successive ionic layer adsorption and reaction (N-SILAR), which only needed a cation mixed solution containing Cd 2+ and Pb 2+ and an anionic solution containing S 2− . This N-SILAR method can not only effectively shorten the experimental time, simplify the experiment procedure and reduce the experiment cost, but also make the material of (CdS + PbS)/TiO 2 NTWs possess the advantages of improving electron transport and reducing chemical erosion. Moreover, the photocurrent of (CdS + PbS)/TiO 2 NTWs was 4.1 mA/cm 2 under an illumination of 100 mW/cm 2 . The most eye-popping part was that the result was 8 times higher than that of the bare TiO 2 NTWs array. The result of photoelectrochemical measurements indicated that this novel material had a potential application in photovoltaic devices

  10. Photoelectrochemical property of CdS and PbS cosensitized on the TiO{sub 2} array by novel successive ionic layer adsorption and reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Pin; Fu, Wuyou [National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China); Mu, Yannan [National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China); Department of Physics and Chemistry, Heihe University, Heihe 164300 (China); Sun, Hairui; Su, Shi; Chen, Yanli; Yao, Huizhen; Ding, Dong; Liu, Tie; Wang, Jun; Yang, Haibin [National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China)

    2015-02-05

    Highlights: • (CdS + PbS)/TiO{sub 2}NTWs array was firstly synthesized by novel SILAR (N-SILAR) method. • N-SILAR method could shorten time, simplify procedure, lower cost. • (CdS + PbS)/TiO{sub 2}NTWs contain both PbS/CdS/TiO{sub 2} and CdS/PbS/TiO{sub 2} composites structure. • (CdS + PbS)/TiO{sub 2}NTWs can improve electron transport and reduce chemical erosion both. • The photocurrent of (CdS + PbS)/TiO{sub 2}NTWs was 4.1 mA/cm{sup 2}—8 times as high as TiO{sub 2}. - Abstract: TiO{sub 2} film materials have very wide applications in photovoltaic conversion techniques. And, TiO{sub 2} nanotubes array film with nanowires directly formed on top (denoted as TiO{sub 2}NTWs) was prepared by the anodization method. CdS and PbS quantum dots (QDs) were firstly cosensitized on the TiO{sub 2}NTWs array (denoted as (CdS + PbS)/TiO{sub 2}NTWs) by novel successive ionic layer adsorption and reaction (N-SILAR), which only needed a cation mixed solution containing Cd{sup 2+} and Pb{sup 2+} and an anionic solution containing S{sup 2−}. This N-SILAR method can not only effectively shorten the experimental time, simplify the experiment procedure and reduce the experiment cost, but also make the material of (CdS + PbS)/TiO{sub 2}NTWs possess the advantages of improving electron transport and reducing chemical erosion. Moreover, the photocurrent of (CdS + PbS)/TiO{sub 2}NTWs was 4.1 mA/cm{sup 2} under an illumination of 100 mW/cm{sup 2}. The most eye-popping part was that the result was 8 times higher than that of the bare TiO{sub 2}NTWs array. The result of photoelectrochemical measurements indicated that this novel material had a potential application in photovoltaic devices.

  11. Magnetic and structural properties of Sr0.75La0.25FexCu0.20O19 (10.40≤x≤11.80) hexagonal ferrites prepared by the solid-state reaction

    International Nuclear Information System (INIS)

    Yang, Yujie; Shao, Juxiang; Wang, Fanhou; Liu, Xiansong; Feng, Shuangjiu; Huang, Duohui; Yang, Junsheng; Jin, Chengguo

    2016-01-01

    In this study, the hexaferrite magnetic powders and magnets according to the formula Sr 0.75 La 0.25 Fe x Cu 0.20 O 19 , where x ranging from 10.40 to 11.80 with a step of 0.2 were prepared by the solid-state reaction. X-ray diffraction was performed to investigate the microstructures of the magnetic powders. The results show that a single magnetoplumbite phase is obtained for the magnetic powders with Fe content (10.60≤x≤11.60). For the magnetic powders with Fe content (x) of 10.40 or 11.80, magnetic impurities appear in the structure. A field emission scanning electron microscopy was hired to explore the micrographs of the magnets. The hexaferrite magnets are formed of hexagonal-shaped crystals. A magnetic properties test instrument was used in order to study the magnetic properties of the magnets. The remanence and maximum energy product first increase with Fe content (x) from 10.40 to 11.00 and then begin to decrease when Fe content (x) continues to increase. While the intrinsic coercivity and magnetic induction coercivity first increase with Fe content (x) from 10.40 to 11.20 and then decrease when Fe content (x)>11.20. - Highlights: • The hexaferrite Sr 0.75 La 0.25 Fe x Cu 0.20 O 19 (10.40≤x≤11.80) magnetic powders and magnets were synthesized by the solid-state reaction. • The hexaferrite magnets are formed of hexagonal-shaped crystals. • At Fe content (x)=11.00, B r and (BH) max for the magnets reach the maximum values. At Fe content (x)=11.20, H cj and H cb for the magnets reach the maximum values.

  12. Investigation of some important phytochemical, nutritional properties ...

    African Journals Online (AJOL)

    DELL

    2013-09-02

    Sep 2, 2013 ... Development and Conservation Programme (BDCP) Research. Centre, Nsukka, Enugu State. .... restoration of normal histological structure of the liver and kidney with few .... Cotonou markets (Benin). Indian J. Sci. Technol.

  13. Comparing chemical reaction networks

    DEFF Research Database (Denmark)

    Cardelli, Luca; Tribastone, Mirco; Tschaikowski, Max

    2017-01-01

    We study chemical reaction networks (CRNs) as a kernel model of concurrency provided with semantics based on ordinary differential equations. We investigate the problem of comparing two CRNs, i.e., to decide whether the solutions of a source and of a target CRN can be matched for an appropriate...... choice of initial conditions. Using a categorical framework, we extend and unify model-comparison approaches based on dynamical (semantic) and structural (syntactic) properties of CRNs. Then, we provide an algorithm to compare CRNs, running linearly in time with respect to the cardinality of all possible...... comparisons. Finally, using a prototype implementation, CAGE, we apply our results to biological models from the literature....

  14. Chain reaction

    International Nuclear Information System (INIS)

    Balogh, Brian.

    1991-01-01

    Chain Reaction is a work of recent American political history. It seeks to explain how and why America came to depend so heavily on its experts after World War II, how those experts translated that authority into political clout, and why that authority and political discretion declined in the 1970s. The author's research into the internal memoranda of the Atomic Energy Commission substantiates his argument in historical detail. It was not the ravages of American anti-intellectualism, as so many scholars have argued, that brought the experts back down to earth. Rather, their decline can be traced to the very roots of their success after World War II. The need to over-state anticipated results in order to garner public support, incessant professional and bureaucratic specialization, and the sheer proliferation of expertise pushed arcane and insulated debates between experts into public forums at the same time that a broad cross section of political participants found it easier to gain access to their own expertise. These tendencies ultimately undermined the political influence of all experts. (author)

  15. Palladium-catalyzed coupling reactions

    CERN Document Server

    Molnár, Árpád

    2013-01-01

    This handbook and ready reference brings together all significant issues of practical importance for interested readers in one single volume. While covering homogeneous and heterogeneous catalysis, the text is unique in focusing on such important aspects as using different reaction media, microwave techniques or catalyst recycling. It also provides a comprehensive treatment of modern-day coupling reactions and emphasizes those topics that show potential for future development, such as continuous flow systems, water as a reaction medium, and catalyst immobilization, among others. With i

  16. Department of Nuclear Reactions: Overview

    International Nuclear Information System (INIS)

    Rusek, K.

    2002-01-01

    Full text: Department of Nuclear Reactions has had a very productive year. We have carried out our work in close collaborations with physicists from many laboratories, home and foreign. The following reports cover three major domains of our activities: nuclear, material and atomic physics. * Nuclear physics: In collaboration with scientists from Ukraine experimental studies of nuclear reaction induced by heavy ions from the Warsaw Cyclotron have been performed. The aim of the experiments is to study nuclear reactions leading to the exotic light nuclei in exit channels and energy dependence of the nucleus - nucleus interactions. Proton induced charge-exchange reactions were investigated theoretically by means of multistep-direct model. Good agreement with the experimental data was achieved. A novel approach to the problem of the nuclear liquid → gas phase transition was proposed, based on synergetics - a domain of science dealing with self-organization in macroscopic systems. Decay properties of the Roper resonance were studied. Final analysis of the analysing powers for the polarized deuterons scattered on protons was accomplished. Experimental programme of the near-threshold meson production in proton - proton scattering has been started in collaboration with Forschungszentrum. Juelich. * Atomic physics: Spectra of the X-rays emitted by energetic sulphur ions scattered off carbon atoms were analysed in order to study the role of the multiple charge states of the inner shells in the dynamics of the collision process. Ionization probabilities in collision of oxygen ions with gold atoms were measured. The observed disagreement of the experimental data with the theoretical predictions suggest a strong effect generated by the sub-shell couplings. * Materials research: Ion channelling method was applied to investigate transformation of the defects in Al x Ga 1-x As crystalline layers. Activities of our colleagues in didactics have grown considerably. Lectures

  17. Peripheral collisions in the reaction 40Ar + 93Nb at 27.5 MeV/nucleon

    International Nuclear Information System (INIS)

    Pastel, R.

    1987-09-01

    This thesis describes an experimental study of the reaction 40 Ar + 93 Nb at 27.5 MeV/nucleon carried out at the GANIL accelerator. Reaction products were detected in a large position sensitive localization ionization chamber. The experimental data were used to obtain information concerning the reaction mechanism especially for peripheral collisions. A model using the properties of random works were applied successfully to the interpretation of the data. The importance of the deflection produced by the ion-ion potential as well as of the emission of alpha particles in the reaction is stressed [fr

  18. PHYSICOCHEMICAL PROPERTY CALCULATIONS

    Science.gov (United States)

    Computer models have been developed to estimate a wide range of physical-chemical properties from molecular structure. The SPARC modeling system approaches calculations as site specific reactions (pKa, hydrolysis, hydration) and `whole molecule' properties (vapor pressure, boilin...

  19. A Green Multicomponent Reaction for the Organic Chemistry Laboratory: The Aqueous Passerini Reaction

    Science.gov (United States)

    Hooper, Matthew M.; DeBoef, Brenton

    2009-01-01

    Water is the ideal green solvent for organic reactions. However, most organic molecules are insoluble in it. Herein, we report a laboratory module that takes advantage of