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Sample records for soluble inorganic molecular

  1. Determination of Carboxylic Acids and Water-soluble Inorganic Ions ...

    African Journals Online (AJOL)

    NICO

    radiation balance.4,5 Major water-soluble inorganic ions are associated with atmospheric ... molecular weight carboxylic acids in aerosol samples collected from a rural ... include biomass burning, agriculture, livestock and soil dust. Tropical ...

  2. Determination of Carboxylic Acids and Water-soluble Inorganic Ions ...

    African Journals Online (AJOL)

    Atmospheric aerosol samples of PM2.5 and PM10 were collected in April–May 2011 from a rural site in Tanzania and analyzed for water-soluble inorganic ions and low molecular weight carboxylic acids using ion chromatography. PM2.5 and PM10 low-volume samplers with quartz fibre filters were deployed and aerosol ...

  3. Solubility and stability of inorganic carbonates

    International Nuclear Information System (INIS)

    Taylor, P.

    1987-01-01

    The chemistry of inorganic carbonates is reviewed, with emphasis on solubility and hydrolytic stability, in order to identify candidate waste forms for immobilization and disposal of 14 C. At present, CaCO 3 and BaCO 3 are the two most widely favoured wasted forms, primarily because they are the products of proven CO 2 -scrubbing technology. However, they have relatively high solubilities in non-alkaline solutions, necessitating care in selecting and assessing an appropriate disposal environment. Three compounds with better solubility characteristics in near-neutral waters are identified: bismutite, (BiO) 2 CO 3 ; hydrocerussite, Pb 3 (OH) 2 (CO 3 ) 2 ; and rhodochrosite, MnCO 3 . Some of the limitations of each of these alternative waste forms are discussed

  4. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  5. Binary systems solubilities of inorganic and organic compounds

    CERN Document Server

    Stephen, H

    1963-01-01

    Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w

  6. Inorganic Nanoparticles for Multimodal Molecular Imaging

    Directory of Open Access Journals (Sweden)

    Magdalena Swierczewska

    2011-01-01

    Full Text Available Multimodal molecular imaging can offer a synergistic improvement of diagnostic ability over a single imaging modality. Recent development of hybrid imaging systems has profoundly impacted the pool of available multimodal imaging probes. In particular, much interest has been focused on biocompatible, inorganic nanoparticle-based multimodal probes. Inorganic nanoparticles offer exceptional advantages to the field of multimodal imaging owing to their unique characteristics, such as nanometer dimensions, tunable imaging properties, and multifunctionality. Nanoparticles mainly based on iron oxide, quantum dots, gold, and silica have been applied to various imaging modalities to characterize and image specific biologic processes on a molecular level. A combination of nanoparticles and other materials such as biomolecules, polymers, and radiometals continue to increase functionality for in vivo multimodal imaging and therapeutic agents. In this review, we discuss the unique concepts, characteristics, and applications of the various multimodal imaging probes based on inorganic nanoparticles.

  7. Solubility of inorganic salts in pure ionic liquids

    International Nuclear Information System (INIS)

    Pereiro, A.B.; Araújo, J.M.M.; Oliveira, F.S.; Esperança, J.M.S.S.; Canongia Lopes, J.N.; Marrucho, I.M.; Rebelo, L.P.N.

    2012-01-01

    Highlights: ► We report the solubility of different conventional salts in several ionic liquids. ► The solubility was initially screened using a visual detection method. ► The most promising mixtures were quantitatively re-measured using an ATR–FTIR. - Abstract: The solubility of different conventional salts in several room-temperature ionic liquids – containing ammonium, phosphonium or imidazolium cations combined with acetate, sulfate, sulfonate, thiocyanate, chloride, tetracyano-borate, tris(pentafluoroethyl)trifluoro-phosphate, L-lactate, bis(trifluoromethylsulfonyl)imide or trifluoromethylsulfonate anions – were screened using a visual detection method. The most promising mixtures were then re-measured using an ATR–FTIR (Attenuated Total Reflection Fourier Transform Infra Red) spectroscopy technique in order to accurately and quantitatively determine the corresponding solubility at 298.15 K.

  8. Soluble Molecularly Imprinted Nanorods for Homogeneous Molecular Recognition

    Directory of Open Access Journals (Sweden)

    Rongning Liang

    2018-03-01

    Full Text Available Nowadays, it is still difficult for molecularly imprinted polymers (MIPs to achieve homogeneous recognition since they cannot be easily dissolved in organic or aqueous phase. To address this issue, soluble molecularly imprinted nanorods have been synthesized by using soluble polyaniline doped with a functionalized organic protonic acid as the polymer matrix. By employing 1-naphthoic acid as a model, the proposed imprinted nanorods exhibit an excellent solubility and good homogeneous recognition ability. The imprinting factor for the soluble imprinted nanoroads is 6.8. The equilibrium dissociation constant and the apparent maximum number of the proposed imprinted nanorods are 248.5 μM and 22.1 μmol/g, respectively. We believe that such imprinted nanorods may provide an appealing substitute for natural receptors in homogeneous recognition related fields.

  9. Soluble Molecularly Imprinted Nanorods for Homogeneous Molecular Recognition

    Science.gov (United States)

    Liang, Rongning; Wang, Tiantian; Zhang, Huan; Yao, Ruiqing; Qin, Wei

    2018-03-01

    Nowadays, it is still difficult for molecularly imprinted polymer (MIPs) to achieve homogeneous recognition since they cannot be easily dissolved in organic or aqueous phase. To address this issue, soluble molecularly imprinted nanorods have been synthesized by using soluble polyaniline doped with a functionalized organic protonic acid as the polymer matrix. By employing 1-naphthoic acid as a model, the proposed imprinted nanorods exhibit an excellent solubility and good homogeneous recognition ability. The imprinting factor for the soluble imprinted nanoroads is 6.8. The equilibrium dissociation constant and the apparent maximum number of the proposed imprinted nanorods are 248.5 μM and 22.1 μmol/g, respectively. We believe that such imprinted nanorods may provide an appealing substitute for natural receptors in homogeneous recognition related fields.

  10. Binary systems solubilities of inorganic and organic compounds, v.1 pt.2

    CERN Document Server

    Stephen, H

    2013-01-01

    Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w

  11. Hybrid organic-inorganic rotaxanes and molecular shuttles.

    Science.gov (United States)

    Lee, Chin-Fa; Leigh, David A; Pritchard, Robin G; Schultz, David; Teat, Simon J; Timco, Grigore A; Winpenny, Richard E P

    2009-03-19

    The tetravalency of carbon and its ability to form covalent bonds with itself and other elements enables large organic molecules with complex structures, functions and dynamics to be constructed. The varied electronic configurations and bonding patterns of inorganic elements, on the other hand, can impart diverse electronic, magnetic, catalytic and other useful properties to molecular-level structures. Some hybrid organic-inorganic materials that combine features of both chemistries have been developed, most notably metal-organic frameworks, dense and extended organic-inorganic frameworks and coordination polymers. Metal ions have also been incorporated into molecules that contain interlocked subunits, such as rotaxanes and catenanes, and structures in which many inorganic clusters encircle polymer chains have been described. Here we report the synthesis of a series of discrete rotaxane molecules in which inorganic and organic structural units are linked together mechanically at the molecular level. Structural units (dialkyammonium groups) in dumb-bell-shaped organic molecules template the assembly of essentially inorganic 'rings' about 'axles' to form rotaxanes consisting of various numbers of rings and axles. One of the rotaxanes behaves as a 'molecular shuttle': the ring moves between two binding sites on the axle in a large-amplitude motion typical of some synthetic molecular machine systems. The architecture of the rotaxanes ensures that the electronic, magnetic and paramagnetic characteristics of the inorganic rings-properties that could make them suitable as qubits for quantum computers-can influence, and potentially be influenced by, the organic portion of the molecule.

  12. Molecular Thermodynamic Modeling of Mixed Solvent Solubility

    DEFF Research Database (Denmark)

    Ellegaard, Martin Dela; Abildskov, Jens; O’Connell, John P.

    2010-01-01

    A method based on statistical mechanical fluctuation solution theory for composition derivatives of activity coefficients is employed for estimating dilute solubilities of 11 solid pharmaceutical solutes in nearly 70 mixed aqueous and nonaqueous solvent systems. The solvent mixtures range from...... nearly ideal to strongly nonideal. The database covers a temperature range from 293 to 323 K. Comparisons with available data and other existing solubility methods show that the method successfully describes a variety of observed mixed solvent solubility behaviors using solute−solvent parameters from...

  13. Molecular Design of Soluble Biopolyimide with High Rigidity

    Directory of Open Access Journals (Sweden)

    Sumant Dwivedi

    2018-03-01

    Full Text Available New soluble biopolyimides were prepared from a diamine derived from an exotic amino acid (4-aminocinnamic acid with several kinds of tetracarboxylic dianhydride. The biopolyimide molecular structural flexibility was tailored by modifying the tetracarboxylic dianhydride moiety. The obtained polyimides were soluble in various solvents such as N-methyl-2-pyrrolidone, N,N-dimethylacetamide, N,N-dimethylformamide, dimethyl sulfoxide, and even tetrahydrofuran. It was observed that the biopolyimide solubility was greatly dependent upon the structural flexibility (torsion energy. Flexible structure facilitated greater solubility. The synthesized biopolyimides were largely amorphous and had number-average molecular weight (Mn in the range (5–8 × 105. The glass transition temperatures (Tg of the polymers ranged from 259–294 °C. These polymers exhibited good thermal stability without significant weight loss up to 410 °C. The temperatures at 10% weight loss (Td10 for synthesized biopolyimide ranged from 375–397 °C.

  14. Forecasting of heat capacity of molecular inorganic liquids

    International Nuclear Information System (INIS)

    Sladkov, I.B.; Neganov, O.S.

    1992-01-01

    On the basis of analysis of experimental material on heat capacity of liquids, covering 350 molecular inorganic compounds, atomic parts of heat capacity for 58 elements of the Periodic system were obtained. Data on the accuracy of heat capacity calculation by the Neumann-Kopp rule using the recommended atomic parts C p are presented. For the Kelli rule it is assertained that the factor of proportiomality between heat capacity and the number of atoms in compound molecule in the general case depends on the type of anion and compound coordination. The Neumann-Kopp-Kelli rules provide a satisfactory accuracy of prediction

  15. Molecular Simulation of Gas Solubility in Nitrile Butadiene Rubber.

    Science.gov (United States)

    Khawaja, M; Sutton, A P; Mostofi, A A

    2017-01-12

    Molecular simulation is used to compute the solubility of small gases in nitrile butadiene rubber (NBR) with a Widom particle-insertion technique biased by local free volume. The convergence of the method is examined as a function of the number of snapshots upon which the insertions are performed and the number of insertions per snapshot and is compared to the convergence of the unbiased Widom insertion technique. The effect of varying the definition of local free volume is also investigated. The acrylonitrile content of the polymer is altered to examine its influence on the solubility of helium, CO 2 , and H 2 O, and the solubilities of polar gases are found to be enhanced relative to those of nonpolar gases, in qualitative agreement with experiment. To probe this phenomenon further, the solubilities are decomposed into contributions from the neighborhoods of different atoms, using a Voronoi cell construction, and a strong bias is found for CO 2 and H 2 O in particular to be situated near nitrogen sites in the elastomer. Temperature is shown to suppress the solubility of CO 2 and H 2 O but to increase that of helium. Increasing pressure is found to suppress the solubility of all gases but at different rates, according to a balance between their molecular sizes and electrostatic interactions with the polymer. These results are relevant to the use of NBR seals at elevated temperatures and pressures, such as in oil and gas wells.

  16. Molecular model for solubility of gases in flexible polymers

    DEFF Research Database (Denmark)

    Neergaard, Jesper; Hassager, Ole; Szabo, Peter

    1999-01-01

    We propose a model for a priori prediction of the solubility of gases in flexible polymers. The model is based on the concept of ideal solubility of gases in liquids. According to this concept, the mole fraction of gases in liquids is given by Raoult's law with the total pressure and the vapor...... pressure of the gas, where the latter may have to be extrapolated. However, instead of considering each polymer molecule as a rigid structure, we estimate the effective number of degrees of freedom from an equivalent freely jointed bead-rod model for the flexible polymer. In this model, we associate...... the length of the rods with the molecular weight corresponding to a Kuhn step. The model provides a tool for crude estimation of the gas solubility on the basis of only the monomer unit of the polymer and properties of the gas. A comparison with the solubility data for several gases in poly...

  17. Multi-Phase Equilibrium and Solubilities of Aromatic Compounds and Inorganic Compounds in Sub- and Supercritical Water: A Review.

    Science.gov (United States)

    Liu, Qinli; Ding, Xin; Du, Bowen; Fang, Tao

    2017-11-02

    Supercritical water oxidation (SCWO), as a novel and efficient technology, has been applied to wastewater treatment processes. The use of phase equilibrium data to optimize process parameters can offer a theoretical guidance for designing SCWO processes and reducing the equipment and operating costs. In this work, high-pressure phase equilibrium data for aromatic compounds+water systems and inorganic compounds+water systems are given. Moreover, thermodynamic models, equations of state (EOS) and empirical and semi-empirical approaches are summarized and evaluated. This paper also lists the existing problems of multi-phase equilibria and solubility studies on aromatic compounds and inorganic compounds in sub- and supercritical water.

  18. Application of ion chromatography to the determination of water-soluble inorganic and organic ions in atmospheric aerosols.

    Science.gov (United States)

    Yu, Xue-Chun; He, Ke-Bin; Ma, Yong-Liang; Yang, Fu-Mo; Duan, Feng-Kui; Zheng, Ai-Hua; Zhao, Cheng-Yi

    2004-01-01

    A simple, sensitive and convenient ion chromatography(IC) method was established for the simultaneous determination of twelve water-soluble inorganic anions(F- , Cl- , NO2(-), NO3(-), SO3(2-), SO4(2-) , PO4(3-)), and fifteen water-soluble organic ions(formate, acetate, MSA, oxalate, malonate, succinate, phthalates, etc.) in atmospheric aerosols. The linear concentrations ranged from 0.005 microg/m3 to 500 microg/m3 ( r = 0.999-0.9999). The relative standard deviation (RSD) were 0.43%-2.00% and the detection limits were from 2.7 ng/m3 to 88 ng/m3. The proposed method was successfully applied to the simultaneous determination of those inorganic ions and organic ions in PM2.5 of Beijing.

  19. A molecular study of gas solubility in nitrile rubber

    Science.gov (United States)

    Khawaja, Musab; Mostofi, Arash; Sutton, Adrian

    2015-03-01

    One of the most important uses of elastomers in the oil industry is for seals to encase and protect sensitive monitoring equipment from contamination by gases and liquids at the high pressures and temperatures in the well. Failure of such seals sometimes occurs on decompression when they are returned to the surface. The conditions in the well lead to gases being absorbed by Nitrile rubber (NBR) seals. NBR exhibits a strong permselectivity towards CO2 compared to other gases; something attributed experimentally to the enhanced solubility of CO2. In this study an explanation is sought at the molecular level for this phenomenon. A series of molecular mechanics calculations are performed to compute solubilities of different gases in NBR. The effect of acrylonitrile content on their solubilities is studied for the first time by simulation, and we discuss the important issue of convergence with respect to the sampling of different elastomer configurations. It is observed that the presence of cyano groups has a marked impact on the solubility of CO2 and an explanation is offered.

  20. [Characteristics of mass size distributions of water-soluble, inorganic ions during summer and winter haze days of Beijing].

    Science.gov (United States)

    Huang, Yi-Min; Liu, Zi-Rui; Chen, Hong; Wang, Yue-Si

    2013-04-01

    To investigate the size distribution characteristics of water soluble inorganic ions in haze days, the particle samples were collected by two Andersen cascade impactors in Beijing during summer and winter time and each sampling period lasted two weeks. Online measurement of PM10 and PM2.5 using TEOM were also conducted at the same time. Sources and formation mechanism of water soluble inorganic ions were analyzed based on their size distributions. The results showed that average concentrations of PM10 and PM 2.5 were (245.5 +/- 8.4) microg x m(-3) and (120.2 +/- 2.0) microg x m(-3) during summer haze days (SHD), and were (384.2 +/- 30.2) microg x m(-3) and (252.7 +/- 47.1) microg x m(-3) during winter haze days (WHD), which suggested fine particles predominated haze pollution episode in both seasons. Total water-soluble inorganic ions concentrations were higher in haze days than those in non-haze days, especially in fine particles. Furthermore, concentrations of secondary inorganic ions (SO4(2-), NO3(-) and NH4(+)) increased quicker than other inorganic ions in fine particles during haze days, indicating secondary inorganic ions played an important role in the formation of haze pollution. Similar size distributions were found for all Sinorganic water soluble ions except for NO3(-), during SHD and WHD. SO4(2-) and NH4(+) dominated in the fine mode (PM1.0) while Mg2+ and Ca2+ accumulated in coarse fraction, Na+, Cl- and K+ showed a bimodal distribution. For NO3(-), however, it showed a bimodal distribution during SHD and a unimodal distribution dominated in the fine fraction was found during WHD. The average mass median aerodynamic diameter (MMAD) of SO4(2-) was 0.64 microm in SHD, which suggested the formation of SO4(2-) was mainly attributed to in-cloud processes. Furthermore, a higher apparent conversion rate of sulfur dioxide (SOR) was found in SHD, indicating more fine particles were produced by photochemical reaction in haze days than that in non-haze days. The

  1. Characterization of the size-segregated water-soluble inorganic ions at eight Canadian rural sites

    Directory of Open Access Journals (Sweden)

    L. Zhang

    2008-12-01

    Full Text Available Size-segregated water-soluble inorganic ions, including particulate sulphate (SO42-, nitrate (NO3-, ammonium (NH4+, chloride (Cl-, and base cations (K+, Na+, Mg2+, Ca2+, were measured using a Micro-Orifice Uniform Deposit Impactor (MOUDI during fourteen short-term field campaigns at eight locations in both polluted and remote regions of eastern and central Canada. The size distributions of SO42- and NH4+ were unimodal, peaking at 0.3–0.6 µm in diameter, during most of the campaigns, although a bimodal distribution was found during one campaign and a trimodal distribution was found during another campaign made at a coastal site. SO42- peaked at slightly larger sizes in the cold seasons (0.5–0.6 µm compared to the hot seasons (0.3–0.4 µm due to the higher relative humidity in the cold seasons. The size distributions of NO3- were unimodal, peaking at 4.0–7.0 µm during the warm-season campaigns, and bimodal, with one peak at 0.3–0.6 µm and another at 4–7 µm during the cold-season campaigns. A unimodal size distribution, peaking at 4–6 µm, was found for Cl-, Na+, Mg2+, and Ca2+ during approximately half of the campaigns and a bimodal distribution, with one peak at 2 µm and the other at 6 µm, was found during the rest of the campaigns. For K+, a bimodal distribution, with one peak at 0.3 µm and the other at 4 µm, was observed during most of the campaigns. Seasonal contrasts in the size-distribution profiles suggest that emission sources and air mass origins were the major factors controlling the size distributions of the primary aerosols while meteorological conditions were more important for the secondary aerosols.

    The dependence of the particle acidity on

  2. Degradation of Environmental Contaminants with Water-Soluble Cobalt Catalysts: An Integrative Inorganic Chemistry Investigation

    Science.gov (United States)

    Evans, Alexandra L.; Messersmith, Reid E.; Green, David B.; Fritsch, Joseph M.

    2011-01-01

    We present an integrative laboratory investigation incorporating skills from inorganic chemistry, analytical instrumentation, and physical chemistry applied to a laboratory-scale model of the environmental problem of chlorinated ethylenes in groundwater. Perchloroethylene (C[subscript 2]Cl[subscript 4], PCE) a common dry cleaning solvent,…

  3. Seasonal Variations and Correlation Analysis of Water-Soluble Inorganic Ions in PM2.5 in Wuhan, 2013

    Directory of Open Access Journals (Sweden)

    Ting Huang

    2016-03-01

    Full Text Available Daily PM2.5 and water-soluble inorganic ions (NH4+, SO42−, NO3−, Cl−, Ca2+, Na+, K+, Mg2+ were collected at the Hongshan Air Monitoring Station at the China University of Geosciences (Wuhan (30°31′N, 114°23′E, Wuhan, from 1 January to 30 December 2013. A total of 52 effective PM2.5 samples were collected using medium flow membrane filter samplers, and the anionic and cationic ions were determined by ion chromatography and ICP, respectively. The results showed that the average mass concentration of the eight ions was 40.96 µg/m3, which accounted for 62% of the entire mass concentration. In addition, the order of the ion concentrations was SO42− > NO3− > NH4+ > Cl− >K+ > Ca2+ > Na+ > Mg2+. The secondary inorganic species SO42−, NO3− and NH4+ were the major components of water-soluble ions in PM2.5, with a concentration of 92% of the total ions of PM2.5, and the total concentrations of the three ions in the four seasons in descending order as follows: winter, spring, autumn, and summer. NH4+ had a significant correlation with SO42− and NO3−, and the highest correlation coefficients were 0.943 and 0.923 (in winter, while the minimum coefficients were 0.683 and 0.610 (in summer. The main particles were (NH42SO4 and NH4NO3 in PM2.5. The charge of the water-soluble ions was nearly balanced in PM2.5, and the pertinence coefficients of water-soluble anions and cations were more than 0.9. The highest pertinence coefficients were in the spring (0.9887, and the minimum was in summer (0.9459. That is, there were more complicated ions in PM2.5 in the summer. The mean value of NO3−/SO42− was 0.64, indicating that stationary sources of PM2.5 had a greater contribution in Wuhan.

  4. Intracellular Chemistry: Integrating Molecular Inorganic Catalysts with Living Systems.

    Science.gov (United States)

    Ngo, Anh H; Bose, Sohini; Do, Loi H

    2018-03-23

    This concept article focuses on the rapid growth of intracellular chemistry dedicated to the integration of small-molecule metal catalysts with living cells and organisms. Although biological systems contain a plethora of biomolecules that can deactivate inorganic species, researchers have shown that small-molecule metal catalysts could be engineered to operate in heterogeneous aqueous environments. Synthetic intracellular reactions have recently been reported for olefin hydrogenation, hydrolysis/oxidative cleavage, azide-alkyne cycloaddition, allylcarbamate cleavage, C-C bond cross coupling, and transfer hydrogenation. Other promising targets for new biocompatible reaction discovery will also be discussed, with a special emphasis on how such innovations could lead to the development of novel technologies and chemical tools. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Static secondary ion mass spectrometry for organic and inorganic molecular analysis in solids

    International Nuclear Information System (INIS)

    Ham, Rita van; Vaeck, Luc van; Adriaens, Annemie; Adams, Freddy

    2003-01-01

    The use of mass spectra in secondary ion mass spectrometry (S-SIMS) to characterise the molecular composition of inorganic and organic analytes at the surface of solid samples is investigated. Methodological aspects such as mass resolution, mass accuracy, precision and accuracy of isotope abundance measurements, influence of electron flooding and sample morphology are addressed to assess the possibilities and limitations that the methodology can offer to support the structural assignment of the detected ions. The in-sample and between-sample reproducibility of relative peak intensities under optimised conditions is within 10%, but experimental conditions and local hydration, oxidation or contamination can drastically affect the mass spectra. As a result, the use of fingerprinting for identification becomes compromised. Therefore, the preferred way of interpretation becomes the deductive structural approach, based on the use of the empirical desorption-ionisation model. This approach is shown to allow the molecular composition of inorganic and organic components at the surface of solids to be characterised. Examples of inorganic speciation and identification of organic additives with unknown composition in inorganic salt mixtures are given. The methodology is discussed in terms of foreseen developments with respect to the use of polyatomic primary ions

  6. Characteristics and Source Analysis of Water-Soluble Inorganic Ions in PM10 in a Typical Mining City, Central China

    Directory of Open Access Journals (Sweden)

    Hongxia Liu

    2017-04-01

    Full Text Available A total of 61 PM10 samples in Huangshi (HS, Central China, were collected every sixth day from April 2012 to March 2013 and were analyzed for water-soluble inorganic ions (WSIIs by ion chromatography. The sum of three major ions (SO42−, NO3−, and NH4+ accounted for 75.8% of the total WSIIs on average. The results of a non-parametric test (Kruskal-Wallis show that, except for Na+ (p > 0.05, the other ions present a distinctly seasonal variation with a statistically significant difference (p < 0.05. The minimum concentrations of all ions were found in summer, while the maximum values presented in autumn (for Ca2+ and winter (for Cl−, NO3−, SO42−, K+, NH4+, Mg2+. Based on the highest ratio of Cl−/Na+ (3.02 and the highest concentration of K (4.37 μg·m−3, Ba (0.37 μg·m−3, and Sr (0.07 μg·m−3 in February 2013, it can be concluded that firework powders have aggravated the haze weather during the Spring Festival of 2013. The micro-equivalent concentrations of cations and anions were calculated and the comparisons between the calculated and measured NH4+ concentrations were conducted. The results illustrate that aerosol particles in HS are acidic and there may exist some other cationic ions not detected in this study. An obvious positive correlation and good linear regression among WSIIs suggest that the chemical forms in HS aerosols show a great variety of combinations, such as NH4NO3, NH4HSO4, (NH42SO4, NH4Cl, KCl, KNO3, NaCl, NaNO3, Ca(NO32, CaSO4, MgCl2, Mg(NO32, and MgSO4. The WSIIs have large positive correlation and linear regression with the elements, suggesting that WSIIs in mining cities are strongly influenced by element constituents. Principal component analysis implies that WSIIs in PM10 are probably from three sources. NH4+, Mg2+, NO3−, K and K+, Cl− and Cl, SO42−, and S accounted for 46.9% of the total variances, suggesting likely anthropogenic sources, especially coal combustion, vehicular exhaust, and

  7. Water soluble inorganic trace gases and related aerosol compounds in the tropical boundary layer. An analysis based on real time measurements at a pasture site in the Amazon Basin

    NARCIS (Netherlands)

    Trebs, I.

    2005-01-01

    This dissertation investigates the behavior of water-soluble inorganic trace gases and related aerosol species in the tropical boundary layer. Mixing ratios of ammonia (NH3), nitric acid (HNO3), nitrous acid (HONO), hydrochloric acid (HCl), sulfur dioxide (SO;,) and the corresponding water-soluble

  8. A systematic investigation of the preparation and properties of composite carbon molecular sieves containing inorganic oxides

    Science.gov (United States)

    Foley, Henry C.

    1990-01-01

    The objective of this research is to define the methodology for the preparation and characterization of new carbon-based molecular sieves with composite structures. Carbon molecular sieves have found increasing application in the field of separation and purification of gases. These materials are relatively easy to prepare and their surfaces can be modified to some extent. It is expected that by combining inorganic oxides with the carbonaceous structure one can begin to design composite materials with a wider range of possible chemical and physical properties. In this way, the IOM-CMS materials may confer distinct advantages over pure carbon molecular sieves, not just for separation, but also for catalysis. The most recent results in the design and characterization of these IOM-CMS materials are reviewed and summarized. Directions for further research are also presented.

  9. Inorganic-Organic Coating via Molecular Layer Deposition Enables Long Life Sodium Metal Anode.

    Science.gov (United States)

    Zhao, Yang; Goncharova, Lyudmila V; Zhang, Qian; Kaghazchi, Payam; Sun, Qian; Lushington, Andrew; Wang, Biqiong; Li, Ruying; Sun, Xueliang

    2017-09-13

    Metallic Na anode is considered as a promising alternative candidate for Na ion batteries (NIBs) and Na metal batteries (NMBs) due to its high specific capacity, and low potential. However, the unstable solid electrolyte interphase layer caused by serious corrosion and reaction in electrolyte will lead to big challenges, including dendrite growth, low Coulombic efficiency and even safety issues. In this paper, we first demonstrate the inorganic-organic coating via advanced molecular layer deposition (alucone) as a protective layer for metallic Na anode. By protecting Na anode with controllable alucone layer, the dendrites and mossy Na formation have been effectively suppressed and the lifetime has been significantly improved. Moreover, the molecular layer deposition alucone coating shows better performances than the atomic layer deposition Al 2 O 3 coating. The novel design of molecular layer deposition protected Na metal anode may bring in new opportunities to the realization of the next-generation high energy-density NIBs and NMBs.

  10. Solubility of gases and solvents in silicon polymers: molecular simulation and equation of state modeling

    DEFF Research Database (Denmark)

    Economou, Ioannis; Makrodimitri, Zoi A.; Kontogeorgis, Georgios

    2007-01-01

    of gas and solvent solubilities using the test particle insertion method of Widom. Polymer chains are modelled using recently developed realistic atomistic force fields. Calculations are performed at various temperatures and ambient pressure. A crossover in the temperature dependence of solubility......) and also the phase equilibria of these mixtures over a wide composition range. In all cases, the agreement between model predictions/correlations and literature experimental data, when available, is excellent.......The solubility of n-alkanes, perfluoroalkanes, noble gases and light gases in four elastomer polymers containing silicon is examined based on molecular simulation and macroscopic equation of state modelling. Polymer melt samples generated from molecular dynamics ( MD) are used for the calculation...

  11. Application of radiation grafting techniques to prepare the high molecular weight water-soluble polymer

    International Nuclear Information System (INIS)

    Le Hai; Nguyen Quoc Hien; Nguyen Tan Man; Truong Thi Hanh; Le Huu Tu; Tran Thi Tam; Pham Thi Sam; Pham Anh Tuan; Le Dinh Lang

    2003-01-01

    The results of the study on the preparation of the high molecular weight water-soluble polymers by radiation grafting and their properties is presented as follows: 1/ by radiation grafting, the molecular weight of PVA was increased 20 times and PAM was increased only 3 times; 2/ the thermal and medium stability of poly(vinyl alcohol) grafted with acrylamide was obviously improved. (LH)

  12. Crosslinked hydrogels?a promising class of insoluble solid molecular dispersion carriers for enhancing the delivery of poorly soluble drugs

    OpenAIRE

    Sun, Dajun D.; Lee, Ping I.

    2014-01-01

    Water-insoluble materials containing amorphous solid dispersions (ASD) are an emerging category of drug carriers which can effectively improve dissolution kinetics and kinetic solubility of poorly soluble drugs. ASDs based on water-insoluble crosslinked hydrogels have unique features in contrast to those based on conventional water-soluble and water-insoluble carriers. For example, solid molecular dispersions of poorly soluble drugs in poly(2-hydroxyethyl methacrylate) (PHEMA) can maintain a ...

  13. Relationship between Molecular Structure Characteristics of Feed Proteins and Protein Digestibility and Solubility

    Directory of Open Access Journals (Sweden)

    Mingmei Bai

    2016-08-01

    Full Text Available The nutritional value of feed proteins and their utilization by livestock are related not only to the chemical composition but also to the structure of feed proteins, but few studies thus far have investigated the relationship between the structure of feed proteins and their solubility as well as digestibility in monogastric animals. To address this question we analyzed soybean meal, fish meal, corn distiller’s dried grains with solubles, corn gluten meal, and feather meal by Fourier transform infrared (FTIR spectroscopy to determine the protein molecular spectral band characteristics for amides I and II as well as α-helices and β-sheets and their ratios. Protein solubility and in vitro digestibility were measured with the Kjeldahl method using 0.2% KOH solution and the pepsin-pancreatin two-step enzymatic method, respectively. We found that all measured spectral band intensities (height and area of feed proteins were correlated with their the in vitro digestibility and solubility (p≤0.003; moreover, the relatively quantitative amounts of α-helices, random coils, and α-helix to β-sheet ratio in protein secondary structures were positively correlated with protein in vitro digestibility and solubility (p≤0.004. On the other hand, the percentage of β-sheet structures was negatively correlated with protein in vitro digestibility (p<0.001 and solubility (p = 0.002. These results demonstrate that the molecular structure characteristics of feed proteins are closely related to their in vitro digestibility at 28 h and solubility. Furthermore, the α-helix-to-β-sheet ratio can be used to predict the nutritional value of feed proteins.

  14. Relationship between Molecular Structure Characteristics of Feed Proteins and Protein In vitro Digestibility and Solubility.

    Science.gov (United States)

    Bai, Mingmei; Qin, Guixin; Sun, Zewei; Long, Guohui

    2016-08-01

    The nutritional value of feed proteins and their utilization by livestock are related not only to the chemical composition but also to the structure of feed proteins, but few studies thus far have investigated the relationship between the structure of feed proteins and their solubility as well as digestibility in monogastric animals. To address this question we analyzed soybean meal, fish meal, corn distiller's dried grains with solubles, corn gluten meal, and feather meal by Fourier transform infrared (FTIR) spectroscopy to determine the protein molecular spectral band characteristics for amides I and II as well as α-helices and β-sheets and their ratios. Protein solubility and in vitro digestibility were measured with the Kjeldahl method using 0.2% KOH solution and the pepsin-pancreatin two-step enzymatic method, respectively. We found that all measured spectral band intensities (height and area) of feed proteins were correlated with their the in vitro digestibility and solubility (p≤0.003); moreover, the relatively quantitative amounts of α-helices, random coils, and α-helix to β-sheet ratio in protein secondary structures were positively correlated with protein in vitro digestibility and solubility (p≤0.004). On the other hand, the percentage of β-sheet structures was negatively correlated with protein in vitro digestibility (pdigestibility at 28 h and solubility. Furthermore, the α-helix-to-β-sheet ratio can be used to predict the nutritional value of feed proteins.

  15. Rational Design of Molecular Gelator - Solvent Systems Guided by Solubility Parameters

    Science.gov (United States)

    Lan, Yaqi

    Self-assembled architectures, such as molecular gels, have attracted wide interest among chemists, physicists and engineers during the past decade. However, the mechanism behind self-assembly remains largely unknown and no capability exists to predict a priori whether a small molecule will gelate a specific solvent or not. The process of self-assembly, in molecular gels, is intricate and must balance parameters influencing solubility and those contrasting forces that govern epitaxial growth into axially symmetric elongated aggregates. Although the gelator-gelator interactions are of paramount importance in understanding gelation, the solvent-gelator specific (i.e., H-bonding) and nonspecific (dipole-dipole, dipole-induced and instantaneous dipole induced forces) intermolecular interactions are equally important. Solvent properties mediate the self-assembly of molecular gelators into their self-assembled fibrillar networks. Herein, solubility parameters of solvents, ranging from partition coefficients (logP), to Henry's law constants (HLC), to solvatochromic ET(30) parameters, to Kamlet-Taft parameters (beta, alpha and pi), to Hansen solubility parameters (deltap, deltad, deltah), etc., are correlated with the gelation ability of numerous classes of molecular gelators. Advanced solvent clustering techniques have led to the development of a priori tools that can identify the solvents that will be gelled and not gelled by molecular gelators. These tools will greatly aid in the development of novel gelators without solely relying on serendipitous discoveries.

  16. [Characterization of water-soluble inorganic ions in PM2.5 and PM1.0 in summer in Guangzhou].

    Science.gov (United States)

    Tao, Jun; Zhang, Ren-jian; Dong, Lin; Zhang, Tao; Zhu, Li-hua; Han, Jing-lei; Xu, Zhen-cheng

    2010-07-01

    PM2.5 and PM1.0 samples were collected simultaneously during July of 2008 in Guangzhou. The concentrations of water-soluble inorganic ions (Na+, NH4+, K+, Mg2+, Ca2+, F-, Cl-, NO3-, and SO4(2-)) were determined by ion chromatography. Meteorological parameters, atmospheric scattering, visibility, and concentrations of trace gases (SO2, NO2, and O3) for this period were also recorded. The results showed the total water-soluble inorganic ions concentrations were (25.5 +/- 10.9) microg x m(-1) and (22. 7 +/- 10.5) microg x m(-3) in PM2.5 and PM1.0, which occupied (47.9 +/- 4.3)% and (49.3 +/- 4.3)% of PM mass respectively. Sulfate was the most abundant ion and contributed (25.8 +/- 4.0)% of PM2.5 mass and (27.5 +/- 4.5)% of PM1.0 mass respectively. High temperature and high ozone level favored the formation of sulfate from sulfur dioxide, while the high relative humidity favored the formation of nitrate were observed. Moreover, sulfate, nitrate, and ammonium in PM2.5 and PM1.0 had great impact on the scattering coefficient and visibility degradation.

  17. Smart polyelectrolyte microcapsules as carriers for water-soluble small molecular drug.

    Science.gov (United States)

    Song, Weixing; He, Qiang; Möhwald, Helmuth; Yang, Yang; Li, Junbai

    2009-10-15

    Heat treatment is introduced as a simple method for the encapsulation of low molecular weight water-soluble drugs within layer-by-layer assembled microcapsules. A water-soluble drug, procainamide hydrochloride, could thus be encapsulated in large amount and enriched by more than 2 orders of magnitude in the assembled PDADMAC/PSS capsules. The shrunk capsules could control the unloading rate of drugs, and the drugs could be easily unloaded using ultrasonic treatment. The encapsulated amount could be quantitatively controlled via the drug concentration in the bulk. We also found that smaller capsules possess higher encapsulation capability.

  18. A Splash to Nano-Sized Inorganic Energy-Materials by the Low-Temperature Molecular Precursor Approach.

    Science.gov (United States)

    Driess, Matthias; Panda, Chakadola; Menezes, Prashanth Wilfried

    2018-05-07

    The low-temperature synthesis of inorganic materials and their interfaces at the atomic and molecular level provides numerous opportunities for the design and improvement of inorganic materials in heterogeneous catalysis for sustainable chemical energy conversion or other energy-saving areas. Using suitable molecular precursors for functional inorganic nanomaterial synthesis allows for facile control over uniform particle size distribution, stoichiometry, and leads to desired chemical and physical properties. This minireview outlines some advantages of the molecular precursor approach in light of selected recent developments of molecule-to-nanomaterials synthesis for renewable energy applications, relevant for the oxygen evolution reaction (OER), hydrogen evolution reaction (HER) and overall water-splitting. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Molecular dynamics study of salt–solution interface: Solubility and surface charge of salt in water

    International Nuclear Information System (INIS)

    Kobayashi, Kazuya; Liang, Yunfeng; Matsuoka, Toshifumi; Sakka, Tetsuo

    2014-01-01

    The NaCl salt–solution interface often serves as an example of an uncharged surface. However, recent laser-Doppler electrophoresis has shown some evidence that the NaCl crystal is positively charged in its saturated solution. Using molecular dynamics (MD) simulations, we have investigated the NaCl salt–solution interface system, and calculated the solubility of the salt using the direct method and free energy calculations, which are kinetic and thermodynamic approaches, respectively. The direct method calculation uses a salt–solution combined system. When the system is equilibrated, the concentration in the solution area is the solubility. In the free energy calculation, we separately calculate the chemical potential of NaCl in two systems, the solid and the solution, using thermodynamic integration with MD simulations. When the chemical potential of NaCl in the solution phase is equal to the chemical potential of the solid phase, the concentration of the solution system is the solubility. The advantage of using two different methods is that the computational methods can be mutually verified. We found that a relatively good estimate of the solubility of the system can be obtained through comparison of the two methods. Furthermore, we found using microsecond time-scale MD simulations that the positively charged NaCl surface was induced by a combination of a sodium-rich surface and the orientation of the interfacial water molecules

  20. Molecular studies of Cs adsorption sites in inorganic layered materials: the influence of solution concentration.

    Science.gov (United States)

    Sato, Kiminori; Hunger, Michael

    2017-07-19

    Radioactive Cs released into a soil environment migrates along with groundwater in a manner dependent on Cs concentration. Data on the variation of Cs adsorption as a function of solution concentration are an essential prerequisite to successful decontamination work in Fukushima. To aid the ongoing decontamination work, the adsorption of Cs in aqueous solution across a wide Cs + molarity range is studied for the case of saponite clay as adsorbent, an inorganic layered material that is an abundant mineral in the soil environment. The local molecular structures, i.e. nanosheet surfaces, nanosheet edges, and oncoming hexagonal cavities, participating in Cs adsorption are qualitatively highlighted by means of a recently developed analytical method using data from a conventional elution test, 133 Cs magic-angle-spinning nuclear magnetic resonance (MAS NMR), and the radiocesium interception potential (RIP) [K. Sato, et al., J. Phys. Chem. C, 2016, 120, 1270]. The concentrations of nanosheet edges amount to between 100 and 400 mmol kg -1 , which are not substantially different from those of the nanosheet surfaces, generally regarded as the main decontamination sites. This unambiguously implies that the nanosheet edges should be targeted as the molecular sites for decontaminating radioactive Cs, in addition to the nanosheet surfaces.

  1. Diffusion of inorganic ion aqueous solution into hydrophilic polymer fiber and molecular orientation

    International Nuclear Information System (INIS)

    Kawaguchi, Akio

    2001-01-01

    The adsorption process of iodine to nylon 6 (polyamide-6), as well as deiodination process, has been an issue of controversy in the past half century from the view points related to the conversion of hydrogen bonding (α phase vs. γ phase). In the researches since late '80s, it has been revealed that the adsorption or inclusion of iodine to polyamides causes formations of various kind of structures to be called complexes whether they are crystalline or amorphous, and the formation of complex is reflected on the physical properties (especially on adsorption and ion mobility). Among them, it has been reported about both the doubly-oriented samples and the non-oriented samples that the ion diffusion causes molecular chain orientation during the complex formation. In the present experiment the change of molecular orientation in the early stage of the complex formation is studied by the time-resolved measurement with synchrotron radiation facility at SPring-8. Through-view and edge-view diffraction patterns of doubly oriented nylon 6 and non-oriented one were measured at 0.1 nm wavelength introducing I2-KI aqueous solution. It is observed that the formation of complex (i.e. diffusion of polyiodine) is attained in about 0.3 to 0.4 sec. even in non-oriented sample. From the analysis of the diffraction behavior, it is summarized that the inclusion of iodine into the crystalline phase of nylon 6 is possible from either sides of the molecular directions, namely normal diffusion and parallel diffusion. It is concluded that the diffusion and adsorption of inorganic ions including polyiodine to polyamide causes not only the formation of complexes in the crystalline phase but also give motive force to change structure in the surrounding non-crystalline region. (S. Funahashi)

  2. Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation

    Science.gov (United States)

    Paluch, Andrew S.; Parameswaran, Sreeja; Liu, Shuai; Kolavennu, Anasuya; Mobley, David L.

    2015-01-01

    We present a general framework to predict the excess solubility of small molecular solids (such as pharmaceutical solids) in binary solvents via molecular simulation free energy calculations at infinite dilution with conventional molecular models. The present study used molecular dynamics with the General AMBER Force Field to predict the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol solvents. The simulations are able to predict the existence of solubility enhancement and the results are in good agreement with available experimental data. The accuracy of the predictions in addition to the generality of the method suggests that molecular simulations may be a valuable design tool for solvent selection in drug development processes.

  3. Predicting the solubility of gases in Nitrile Butadiene Rubber in extreme conditions using molecular simulation

    Science.gov (United States)

    Khawaja, Musab; Molinari, Nicola; Sutton, Adrian; Mostofi, Arash

    In the oil and gas industry, elastomer seals play an important role in protecting sensitive monitoring equipment from contamination by gases - a problem that is exacerbated by the high pressures and temperatures found down-hole. The ability to predict and prevent such permeative failure has proved elusive to-date. Nitrile butadiene rubber (NBR) is a common choice of elastomer for seals due to its resistance to heat and fuels. In the conditions found in the well it readily absorbs small molecular weight gases. How this behaviour changes quantitatively for different gases as a function of temperature and pressure is not well-understood. In this work a series of fully atomistic simulations are performed to understand the effect of extreme conditions on gas solubility in NBR. Widom particle insertion is used to compute solubilities. The importance of sampling and allowing structural relaxation upon compression are highlighted, and qualitatively reasonable trends reproduced. Finally, while at STP it has previously been shown that the solubility of CO2 is higher than that of He in NBR, we observe that under the right circumstances it is possible to reverse this trend.

  4. Surface properties of heat-induced soluble soy protein aggregates of different molecular masses.

    Science.gov (United States)

    Guo, Fengxian; Xiong, Youling L; Qin, Fang; Jian, Huajun; Huang, Xiaolin; Chen, Jie

    2015-02-01

    Suspensions (2% and 5%, w/v) of soy protein isolate (SPI) were heated at 80, 90, or 100 °C for different time periods to produce soluble aggregates of different molecular sizes to investigate the relationship between particle size and surface properties (emulsions and foams). Soluble aggregates generated in these model systems were characterized by gel permeation chromatography and sodium dodecyl sulfate-polyacrylamide gel electrophoresis. Heat treatment increased surface hydrophobicity, induced SPI aggregation via hydrophobic interaction and disulfide bonds, and formed soluble aggregates of different sizes. Heating of 5% SPI always promoted large-size aggregate (LA; >1000 kDa) formation irrespective of temperature, whereas the aggregate size distribution in 2% SPI was temperature dependent: the LA fraction progressively rose with temperature (80→90→100 °C), corresponding to the attenuation of medium-size aggregates (MA; 670 to 1000 kDa) initially abundant at 80 °C. Heated SPI with abundant LA (>50%) promoted foam stability. LA also exhibited excellent emulsifying activity and stabilized emulsions by promoting the formation of small oil droplets covered with a thick interfacial protein layer. However, despite a similar influence on emulsion stability, MA enhanced foaming capacity but were less capable of stabilizing emulsions than LA. The functionality variation between heated SPI samples is clearly related to the distribution of aggregates that differ in molecular size and surface activity. The findings may encourage further research to develop functional SPI aggregates for various commercial applications. © 2015 Institute of Food Technologists®

  5. Synthesis of Novel Hydrocarbon Soluble Multifunctional Anionic Initiators: Tools for Synthesis of Novel Dendrimer and Molecular Brush Polymer Architectures

    Science.gov (United States)

    2015-02-09

    Synthesis of Novel Dendrimer and Molecular Brush Polymer Architectures. Research Area:7.4 The views, opinions and/or findings contained in this report...journals: Final Report: Synthesis of Novel Hydrocarbon Soluble Multifunctional Anionic Initiators: Tools for Synthesis of Novel Dendrimer and Molecular

  6. Seasonal variation of water-soluble inorganic species in the coarse and fine atmospheric aerosols at Dar es Salaam, Tanzania

    International Nuclear Information System (INIS)

    Mkoma, Stelyus L.; Wang Wan; Maenhaut, Willy

    2009-01-01

    The ionic composition of coarse, fine and total PM10 was investigated in aerosol samples collected from a kerbside in Dar es Salaam during the 2005 dry season and 2006 wet season. A 'Gent' PM10 stacked filter unit sampler with sequential Nuclepore polycarbonate filters, providing coarse (8 μm) and fine (0.4 μm) size fractions, was deployed. The mean concentrations and associated standard deviation of fine, coarse and PM10 were, respectively, 17 ± 4, 52 ± 27, and 69 ± 29 μg/m 3 during the 2005 dry season campaign and 13 ± 5, 34 ± 23 and 47 ± 25 μg/m 3 for the 2006 wet season campaign. The higher PM mass concentrations during the dry season campaign are essentially due to soil dust dispersal, much biomass burning and temperature inversions. Chloride, Na + and Mg 2+ were the dominant ions in coarse fraction, indicating a significant influence of sea-salt aerosols. In the fine fraction, SO 4 2- and NH 4 + and K + were the most important ions. The mean equivalent PM2 NO 3 - concentration in the 2005 dry season campaign was two times higher than in the 2006 wet season campaign, probably due to reaction of NaCl (sea-salt) with HNO 3 as a result of higher levels of NO x during the dry season and/or reduced volatilization of NH 4 NO 3 due to lower temperature in the dry season. The results from our water-soluble ions study strongly suggests that biomass burning and secondary aerosols make a significant contribution to fine particulate mass in Dar es Salaam atmosphere. Thus, burning of waste and biomass are thought to be the major causes for the atmospheric particulate pollution in Dar es Salaam during the dry season.

  7. Seasonal variation of water-soluble inorganic species in the coarse and fine atmospheric aerosols at Dar es Salaam, Tanzania

    Science.gov (United States)

    Mkoma, Stelyus L.; Wang, Wan; Maenhaut, Willy

    2009-09-01

    The ionic composition of coarse, fine and total PM10 was investigated in aerosol samples collected from a kerbside in Dar es Salaam during the 2005 dry season and 2006 wet season. A "Gent" PM10 stacked filter unit sampler with sequential Nuclepore polycarbonate filters, providing coarse (8 μm) and fine (0.4 μm) size fractions, was deployed. The mean concentrations and associated standard deviation of fine, coarse and PM10 were, respectively, 17 ± 4, 52 ± 27, and 69 ± 29 μg/m 3 during the 2005 dry season campaign and 13 ± 5, 34 ± 23 and 47 ± 25 μg/m 3 for the 2006 wet season campaign. The higher PM mass concentrations during the dry season campaign are essentially due to soil dust dispersal, much biomass burning and temperature inversions. Chloride, Na + and Mg 2+ were the dominant ions in coarse fraction, indicating a significant influence of sea-salt aerosols. In the fine fraction, SO42- and NH4+ and K + were the most important ions. The mean equivalent PM2 NO3- concentration in the 2005 dry season campaign was two times higher than in the 2006 wet season campaign, probably due to reaction of NaCl (sea-salt) with HNO 3 as a result of higher levels of NO x during the dry season and/or reduced volatilization of NH 4NO 3 due to lower temperature in the dry season. The results from our water-soluble ions study strongly suggests that biomass burning and secondary aerosols make a significant contribution to fine particulate mass in Dar es Salaam atmosphere. Thus, burning of waste and biomass are thought to be the major causes for the atmospheric particulate pollution in Dar es Salaam during the dry season.

  8. Phase solubility, 1H NMR and molecular modelling studies of bupivacaine hydrochloride complexation with different cyclodextrin derivates

    Science.gov (United States)

    Jug, Mario; Mennini, Natascia; Melani, Fabrizio; Maestrelli, Francesca; Mura, Paola

    2010-11-01

    A novel method, which simultaneously exploits experimental (NMR) and theoretically calculated data obtained by a molecular modelling technique, was proposed, to obtain deeper insight into inclusion geometry and possible stereoselective binding of bupivacaine hydrochloride with selected cyclodextrin derivatives. Sulphobuthylether-β-cyclodextrin and water soluble polymeric β-cyclodextrin demonstrated to be the best complexing agents for the drug, resulting in formation of the most stable inclusion complexes with the highest increase in aqueous drug solubility. The drug-carrier binding modes with these cyclodextrins and phenomena which may be directly related to the higher stability and better aqueous solubility of complexes formed were discussed in details.

  9. Molecular characterization of whey protein hydrolysate fractions with ferrous chelating and enhanced iron solubility capabilities.

    Science.gov (United States)

    O'Loughlin, Ian B; Kelly, Phil M; Murray, Brian A; FitzGerald, Richard J; Brodkorb, Andre

    2015-03-18

    The ferrous (Fe2+) chelating capabilities of WPI hydrolysate fractions produced via cascade membrane filtration were investigated, specifically 1 kDa permeate (P) and 30 kDa retentate (R) fractions. The 1 kDa-P possessed a Fe2+ chelating capability at 1 g L(-1) equivalent to 84.4 μM EDTA (for 30 kDa-R the value was 8.7 μM EDTA). Fourier transformed infrared (FTIR) spectroscopy was utilized to investigate the structural characteristics of hydrolysates and molecular interactions with Fe2+. Solid-phase extraction was employed to enrich for chelating activity; the most potent chelating fraction was enriched in histidine and lysine. The solubility of ferrous sulfate solutions (10 mM) over a range of pH values was significantly (Piron solubility was improved by 72% in the presence of the 1 kDa-P fraction following simulated gastrointestinal digestion (SGID) compared to control FeSO4·7H2O solutions.

  10. ADME-Tox profiling of some low molecular weight water soluble chitosan derivatives

    Directory of Open Access Journals (Sweden)

    Adriana Isvoran

    2017-09-01

    Full Text Available Within this study we use a few computational tools for predicting absorption, distribution, metabolism, excretion and toxicity (ADME-Tox, pharmacokinetics profiles, toxic/adverse effects, carcinogenicity, cardiotoxicity and endocrine disruption of some of low molecular weight water soluble derivatives of chitosan that are used in wound healing. Investigated compounds do not possess drug-like properties, their pharmacokinetics profiles reveal poor gastrointestinal absorption and low skin penetration. Chitosan derivatives cannot pass the blood-brain barrier and they are not able to inhibit the enzymes of the cytochrome P450 that are involved in the metabolism of xenobiotics. They do not reflect carcinogenicity and cardiotoxicity and reveal only a low probability to be endocrine disruptors. The main side effects in humans of the investigated compounds are: weight loss, acidosis, gastrointestinal toxicity, respiratory failure. This information is especially important for professional exposure and accidental contamination with these compounds.

  11. Crosslinked hydrogels—a promising class of insoluble solid molecular dispersion carriers for enhancing the delivery of poorly soluble drugs

    Directory of Open Access Journals (Sweden)

    Dajun D. Sun

    2014-02-01

    Full Text Available Water-insoluble materials containing amorphous solid dispersions (ASD are an emerging category of drug carriers which can effectively improve dissolution kinetics and kinetic solubility of poorly soluble drugs. ASDs based on water-insoluble crosslinked hydrogels have unique features in contrast to those based on conventional water-soluble and water-insoluble carriers. For example, solid molecular dispersions of poorly soluble drugs in poly(2-hydroxyethyl methacrylate (PHEMA can maintain a high level of supersaturation over a prolonged period of time via a feedback-controlled diffusion mechanism thus avoiding the initial surge of supersaturation followed by a sharp decline in drug concentration typically encountered with ASDs based on water-soluble polymers. The creation of both immediate- and controlled-release ASD dosage forms is also achievable with the PHEMA based hydrogels. So far, ASD systems based on glassy PHEMA have been shown to be very effective in retarding precipitation of amorphous drugs in the solid state to achieve a robust physical stability. This review summarizes recent research efforts in investigating the potential of developing crosslinked PHEMA hydrogels as a promising alternative to conventional water-soluble ASD carriers, and a related finding that the rate of supersaturation generation does affect the kinetic solubility profiles implications to hydrogel based ASDs.

  12. Crosslinked hydrogels-a promising class of insoluble solid molecular dispersion carriers for enhancing the delivery of poorly soluble drugs.

    Science.gov (United States)

    Sun, Dajun D; Lee, Ping I

    2014-02-01

    Water-insoluble materials containing amorphous solid dispersions (ASD) are an emerging category of drug carriers which can effectively improve dissolution kinetics and kinetic solubility of poorly soluble drugs. ASDs based on water-insoluble crosslinked hydrogels have unique features in contrast to those based on conventional water-soluble and water-insoluble carriers. For example, solid molecular dispersions of poorly soluble drugs in poly(2-hydroxyethyl methacrylate) (PHEMA) can maintain a high level of supersaturation over a prolonged period of time via a feedback-controlled diffusion mechanism thus avoiding the initial surge of supersaturation followed by a sharp decline in drug concentration typically encountered with ASDs based on water-soluble polymers. The creation of both immediate- and controlled-release ASD dosage forms is also achievable with the PHEMA based hydrogels. So far, ASD systems based on glassy PHEMA have been shown to be very effective in retarding precipitation of amorphous drugs in the solid state to achieve a robust physical stability. This review summarizes recent research efforts in investigating the potential of developing crosslinked PHEMA hydrogels as a promising alternative to conventional water-soluble ASD carriers, and a related finding that the rate of supersaturation generation does affect the kinetic solubility profiles implications to hydrogel based ASDs.

  13. A Systematic Study of Molecular Interactions of Anionic Drugs with a Dimethylaminoethyl Methacrylate Copolymer Regarding Solubility Enhancement.

    Science.gov (United States)

    Saal, Wiebke; Ross, Alfred; Wyttenbach, Nicole; Alsenz, Jochem; Kuentz, Martin

    2017-04-03

    The methacrylate-copolymer Eudragit EPO (EPO) has raised interest in solubility enhancement of anionic drugs. Effects on aqueous drug solubility at rather low polymer concentrations are barely known despite their importance upon dissolution and dilution of oral dosage forms. We provide evidence for substantial enhancement (factor 4-230) of aqueous solubility of poorly water-soluble anionic drugs induced by low (0.1-5% (w/w)) concentration of EPO for a panel of seven acidic crystalline drugs. Diffusion data (determined by 1 H nuclear magnetic resonance spectroscopy) indicate that the solubility increasing effect monitored by quantitative ultraperformance liquid chromatography was caused primarily by molecular API polymer interactions in the bulk liquid phase. Residual solid API remained unaltered as tested by X-ray powder diffraction. The solubility enhancement (SE) revealed a significant rank correlation (r Spearman = -0.83) with rDiff API , where SE and rDiff API are defined ratios of solubility and diffusion coefficient in the presence and absence of EPO. SE decreased in the order of indomethacin, mefenamic acid, warfarin, piroxicam, furosemide, bezafibrate, and tolbutamide. The solubilizing effect was attributed to both ionic and hydrophobic interactions between drugs and EPO. The excellent solubilizing properties of EPO are highly promising for pharmaceutical development, and the data set provides first steps toward an understanding of drug-excipient interaction mechanisms.

  14. Linear solvation energy relationships: 36. Molecular properties governing solubilities of organic nonelectrolytes in water.

    Science.gov (United States)

    Kamlet, M J; Doherty, R M; Abboud, J L; Abraham, M H; Taft, R W

    1986-04-01

    Molar solubilities of non-hydrogen bond donor and weak hydrogen bond donor liquid aliphatic solutes in water, or the nearly equivalent quantities, Sg/Kgw, where Kgw is the gas-water partition coefficient and Sg is the solute concentration in the solute saturated vapor (Sg = Patm/24.5) are well correlated by the equation: log Sw congruent to log (Sg/Kgw) = 0.54 - 3.32V/100 + 0.46 pi* + 5.17 (beta or beta m) (at 25 degrees C) n = 105, r = 0.9954, SD = 0.137 V is the solute molar volume (the molecular weight divided by the liquid density at 20 degrees C), and pi* and beta are the solvatochromic parameters that are measures of solute dipolarity-polarizability and hydrogen bond acceptor basicity. The equation, which applies to liquid monofunctional aliphatic solutes is used to calculate additional new beta and beta m values. The beta m values, which are intended to apply to self-associated compounds when acting as "monomer" solutes, are: methanol, 0.42; all primary alkanols, 0.45; all secondary alkanols, 0.51; and all tertiary alkanols, 0.57.

  15. Water-Soluble Pd8L4 Self-assembled Molecular Barrel as an Aqueous Carrier for Hydrophobic Curcumin.

    Science.gov (United States)

    Bhat, Imtiyaz Ahmad; Jain, Ruchi; Siddiqui, Mujahuddin M; Saini, Deepak K; Mukherjee, Partha Sarathi

    2017-05-01

    A tetrafacial water-soluble molecular barrel (1) was synthesized by coordination driven self-assembly of a symmetrical tetrapyridyl donor (L) with a cis-blocked 90° acceptor [cis-(en)Pd(NO 3 ) 2 ] (en = ethane-1,2-diamine). The open barrel structure of (1) was confirmed by single crystal X-ray diffraction. The presence of a hydrophobic cavity with large windows makes it an ideal candidate for encapsulation and carrying hydrophobic drug like curcumin in an aqueous medium. The barrel (1) encapsulates curcumin inside its molecular cavity and protects highly photosensitive curcumin from photodegradation. The photostability of encapsulated curcumin is due to the absorption of a high proportion of the incident photons by the aromatic walls of 1 with a high absorption cross-sectional area, which helps the walls to shield the guest even against sunlight/UV radiations. As compared to free curcumin in water, we noticed a significant increase in solubility as well as cellular uptake of curcumin upon encapsulation inside the water-soluble molecular barrel (1) in aqueous medium. Fluorescence imaging confirmed that curcumin was delivered into HeLa cancer cells by the aqueous barrel (1) with the retention of its potential anticancer activity. While free curcumin is inactive toward cancer cells in aqueous medium at room temperature due to negligible solubility, the determined IC 50 value of ∼14 μM for curcumin in aqueous medium in the presence of the barrel (1) reflects the efficiency of the barrel as a potential curcumin carrier in aqueous medium without any other additives. Thus, two major challenges of increasing the bioavailability and stability of curcumin in aqueous medium even in the presence of UV light have been addressed by using a new supramolecular water-soluble barrel (1) as a drug carrier.

  16. Conformations and molecular interactions of poly-γ-glutamic acid as a soluble microbial product in aqueous solutions

    OpenAIRE

    Wang, Ling-Ling; Chen, Jian-Tao; Wang, Long-Fei; Wu, Sha; Zhang, Guang-zhao; Yu, Han-Qing; Ye, Xiao-dong; Shi, Qing-Shan

    2017-01-01

    Soluble microbial products (SMPs) are of significant concern in the natural environment and in engineered systems. In this work, poly-γ-glutamic acid (γ-PGA), which is predominantly produced by Bacillus sp., was investigated in terms of pH-induced conformational changes and molecular interactions in aqueous solutions; accordingly, its sedimentation coefficient distribution and viscosity were also elucidated. Experimental results indicate that pH has a significant impact on the structure and m...

  17. Molecular complexation of curcumin with pH sensitive cationic copolymer enhances the aqueous solubility, stability and bioavailability of curcumin.

    Science.gov (United States)

    Kumar, Sunny; Kesharwani, Siddharth S; Mathur, Himanshi; Tyagi, Mohit; Bhat, G Jayarama; Tummala, Hemachand

    2016-01-20

    Curcumin is a natural dietary compound with demonstrated potential in preventing/treating several chronic diseases in animal models. However, this success is yet to be translated to humans mainly because of its poor oral bioavailability caused by extremely low water solubility. This manuscript demonstrates that water insoluble curcumin (~1μg/ml) forms highly aqueous soluble complexes (>2mg/ml) with a safe pH sensitive polymer, poly(butyl-methacrylate-co-(2-dimethylaminoethyl) methacrylate-co-methyl-methacrylate) when precipitated together in water. The complexation process was optimized to enhance curcumin loading by varying several formulation factors. Acetone as a solvent and polyvinyl alcohol as a stabilizer with 1:2 ratio of drug to polymer yielded complexes with relatively high loading (~280μg/ml) and enhanced solubility (>2mg/ml). The complexes were amorphous in solid and were soluble only in buffers with pHs less than 5.0. Hydrogen bond formation and hydrophobic interactions between curcumin and the polymer were recorded by infrared spectroscopy and nuclear magnetic resonance spectroscopy, respectively. Molecular complexes of curcumin were more stable at various pHs compared to unformulated curcumin. In mice, these complexes increased peak plasma concentration of curcumin by 6 times and oral bioavailability by ~20 times. This is a simple, economic and safer strategy of enhancing the oral bioavailability of curcumin. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties

    Czech Academy of Sciences Publication Activity Database

    Matulková, Irena; Cihelka, J.; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Císařová, I.; Vaněk, Přemysl; Kroupa, Jan; Němec, P.; Tesařová, N.; Němec, I.

    2014-01-01

    Roč. 16, č. 9 (2014), s. 1763-1776 ISSN 1466-8033 Grant - others:AVČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : molecular crystals * inorganic salts * structure determination * second harmonic generation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.034, year: 2014

  19. Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Escorihuela, Laura; Fernández, Alberto; Rallo, Robert; Martorell, Benjamí

    2018-02-01

    The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. Current work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. Models of small ZnO clusters are used for describing the final dissolved material, since the complete ionic dissolution of ZnO is hindered by the formation of O2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg·L-1 and equivalents of 50 g·L-1 for the free Zn2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.

  20. Design of water-soluble, thiol-reactive polymers of controlled molecular weight: a novel multivalent scaffold

    Science.gov (United States)

    Carrillo, Alvaro; Gujraty, Kunal V.; Rai, Prakash R.; Kane, Ravi S.

    2005-07-01

    Multivalent molecules, i.e. scaffolds presenting multiple copies of a suitable ligand, constitute an emerging class of nanoscale therapeutics. We present a novel approach for the design of multivalent ligands, which allows the biofunctionalization of polymers with proteins or peptides in a controlled orientation. It consists of the synthesis of water-soluble, activated polymer scaffolds of controlled molecular weight, which can be biofunctionalized with various thiolated ligands in aqueous media under mild conditions. These polymers were synthesized by ring-opening metathesis polymerization (ROMP) and further modified to make them water-soluble. The incorporation of chloride groups activated the polymers to react with thiol-containing peptides or proteins, and the formation of multivalent ligands in aqueous media was demonstrated. This strategy represents a convenient route for synthesizing multivalent ligands of controlled dimensions and valency.

  1. Interface Engineering for Organic Electronics; Manufacturing of Hybrid Inorganic-Organic Molecular Crystal Devices

    NARCIS (Netherlands)

    de Veen, P.J.

    2011-01-01

    Organic semiconductors are at the basis of Organic Electronics. Objective of this dissertation is “to fabricate high-quality organic molecular single-crystal devices”, to explore the intrinsic properties of organic semiconductors. To achieve this, the in situ fabrication of complete field-effect

  2. Mechanisms and Regulation of Intestinal Absorption of Water-soluble Vitamins: Cellular and Molecular Aspects

    DEFF Research Database (Denmark)

    Nexø, Ebba; Said, Hamid M

    2012-01-01

    The water-soluble vitamins represent a group of structurally and functionally unrelated compounds that share the common feature of being essential for normal cellular functions, growth, and development. With the exception of some endogenous production of niacin, human cells cannot synthesize...

  3. The solubility of inorganic compounds in water and steam with particular reference to silica and iron oxides and its deposits in power plant cycles

    International Nuclear Information System (INIS)

    Heitmann, H.G.

    1975-01-01

    The presence of silica in the water-steam cycle can be extremely detrimental to the operation of a high pressure power station. The solubility diagram of silica in water and steam obtained from numerous measurements is presented. The solubility and deposition of corrosion products, particularly iron oxyde, were investigated together with the effect on heat transfer in heated steam generator tubes. The remove corrosion products from feedwater, electromagnetic filters may be employed and their installation in the primary circuits of the PWR type reactors leads to a considerable reduction of the corrosion products and activity levels

  4. Final Report: Photo-Directed Molecular Assembly of Multifunctional Inorganic Materials

    Energy Technology Data Exchange (ETDEWEB)

    B.G. Potter, Jr.

    2010-10-15

    This final report details results, conclusions, and opportunities for future effort derived from the study. The work involved combining the molecular engineering of photoactive Ti-alkoxide systems and the optical excitation of hydrolysis and condensation reactions to influence the development of the metal-oxygen-metal network at the onset of material formation. Selective excitation of the heteroleptic alkoxides, coupled with control of alkoxide local chemical environment, enabled network connectivity to be influenced and formed the basis for direct deposition and patterning of Ti-oxide-based materials. The research provided new insights into the intrinsic photoresponse and assembly of these complex, alkoxide molecules. Using a suite of electronic, vibrational, and nuclear spectroscopic probes, coupled with quantum chemical computation, the excitation wavelength and fluence dependence of molecular photoresponse and the nature of subsequent hydrolysis and condensation processes were probed in pyridine-carbinol-based Ti-alkoxides with varied counter ligand groups. Several methods for the patterning of oxide material formation were demonstrated, including the integration of this photoprocessing approach with conventional, dip-coating methodologies.

  5. Solubility of Gliclazide and Ion-Molecular Interactions with Aminopropanol in Aqueous Solutions

    Science.gov (United States)

    Hamdan, Imad I.; El-Sabawi, Dina; Abu-Dahab, Rana

    2018-01-01

    A new salt of gliclazide (GZD) was prepared and was shown to have a significantly higher aqueous solubility at physiological pH together with superior dissolution profiles in comparison to GZD employing an organic amino-alcohol base. Characterization by NMR, IR, DSC, conductometry and HPLC techniques concluded that an ion pair salt is formed between acidic GZD and basic aminopropanol (AMP). In addition to the presence of about 5% tightly bound water, hydrogen bonds appeared to form extensively between GZD, AMP and water molecules. Unlike many of solubility enhancing approaches, the salt did not hamper the permeability of GZD as shown by transport through Caco-2 cells model. In vivo studies on rats confirmed that the blood glucose lowering effect of GZD-AMP was significantly higher and more rapid compared to parent GZD indicating an enhanced overall performance of the prepared salt.

  6. Supramolecular Structure and Mechanical Characteristics of Ultrahigh-Molecular-Weight Polyethylene-Inorganic Nanoparticle Nanocomposites

    International Nuclear Information System (INIS)

    Okhlopkova, T. A.; Borisova, R. V.; Nikiforov, L. A.; Spiridonov, A. M.; Okhlopkova, A. A.; Cho, Jin-Ho; Jeong, Dae-Yong

    2016-01-01

    We investigated the mechanical properties and structure of polymeric nanocomposites (PNCs) with anultrahigh-molecular-weight polyethylene (UHMWPE) matrix and aluminum and silicon oxide and nitride nanoparticle (NP) fillers. Mixing with a paddle mixer or by joint mechanical activation in a planetary mill was used for the PNC preparation. Joint mechanical activation afforded PNCs with better mechanical properties than paddle mixing. Scanning electron microscopy suggested that the poorer mechanical properties can be attributed to the disordered regions and imperfect spherulites in the PNC supramolecular structure arising from paddle mixing. The better mechanical properties observed with joint mechanical activation may derive from the uniform NP distribution in the polymer matrix and absence of disordered regions.

  7. Solubility of crystalline organic compounds in high and low molecular weight amorphous matrices above and below the glass transition by zero enthalpy extrapolation.

    Science.gov (United States)

    Amharar, Youness; Curtin, Vincent; Gallagher, Kieran H; Healy, Anne Marie

    2014-09-10

    Pharmaceutical applications which require knowledge of the solubility of a crystalline compound in an amorphous matrix are abundant in the literature. Several methods that allow the determination of such data have been reported, but so far have only been applicable to amorphous polymers above the glass transition of the resulting composites. The current work presents, for the first time, a reliable method for the determination of the solubility of crystalline pharmaceutical compounds in high and low molecular weight amorphous matrices at the glass transition and at room temperature (i.e. below the glass transition temperature), respectively. The solubilities of mannitol and indomethacin in polyvinyl pyrrolidone (PVP) K15 and PVP K25, respectively were measured at different temperatures. Mixtures of undissolved crystalline solute and saturated amorphous phase were obtained by annealing at a given temperature. The solubility at this temperature was then obtained by measuring the melting enthalpy of the crystalline phase, plotting it as a function of composition and extrapolating to zero enthalpy. This new method yielded results in accordance with the predictions reported in the literature. The method was also adapted for the measurement of the solubility of crystalline low molecular weight excipients in amorphous active pharmaceutical ingredients (APIs). The solubility of mannitol, glutaric acid and adipic acid in both indomethacin and sulfadimidine was experimentally determined and successfully compared with the difference between their respective calculated Hildebrand solubility parameters. As expected from the calculations, the dicarboxylic acids exhibited a high solubility in both amorphous indomethacin and sulfadimidine, whereas mannitol was almost insoluble in the same amorphous phases at room temperature. This work constitutes the first report of the methodology for determining an experimentally measured solubility for a low molecular weight crystalline solute

  8. Computational simulation of electron and ion beams interaction with solid high-molecular dielectrics and inorganic glasses

    International Nuclear Information System (INIS)

    Milyavskiy, V.V.

    1998-01-01

    Numerical investigation of interaction of electron beams (with the energy within the limits 100 keV--20 MeV) and ion beams (with the energy over the range 1 keV--50 MeV) with solid high-molecular dielectrics and inorganic glasses is performed. Note that the problem of interaction of electron beams with glass optical covers is especially interesting in connection with the problem of radiation protection of solar power elements on cosmic satellites and stations. For computational simulation of the above-mentioned processes a mathematical model was developed, describing the propagation of particle beams through the sample thickness, the accumulation and relaxation of volume charge and shock-wave processes, as well as the evolution of electric field in the sample. The calculation of energy deposition by electron beam in a target in the presence of nonuniform electric field was calculated with the assistance of the semiempirical procedure, formerly proposed by author of this work. Propagation of the low energy ions through the sample thickness was simulated using Pearson IV distribution. Damage distribution, ionization distribution and range distribution was taken into account. Propagation of high energy ions was calculated in the approximation of continuous deceleration. For description of hydrodynamic processes the system of equations of continuum mechanics in elastic-plastic approximation and the wide-range equation of state were used

  9. Inorganic bromine in organic molecular crystals: Database survey and four case studies

    Science.gov (United States)

    Nemec, Vinko; Lisac, Katarina; Stilinović, Vladimir; Cinčić, Dominik

    2017-01-01

    We present a Cambridge Structural Database and experimental study of multicomponent molecular crystals containing bromine. The CSD study covers supramolecular behaviour of bromide and tribromide anions as well as halogen bonded dibromine molecules in crystal structures of organic salts and cocrystals, and a study of the geometries and complexities in polybromide anion systems. In addition, we present four case studies of organic structures with bromide, tribromide and polybromide anions as well as the neutral dibromine molecule. These include the first observed crystal with diprotonated phenazine, a double salt of phenazinium bromide and tribromide, a cocrystal of 4-methoxypyridine with the neutral dibromine molecule as a halogen bond donor, as well as bis(4-methoxypyridine)bromonium polybromide. Structural features of the four case studies are in the most part consistent with the statistically prevalent behaviour indicated by the CSD study for given bromine species, although they do exhibit some unorthodox structural features and in that indicate possible supramolecular causes for aberrations from the statistically most abundant (and presumably most favourable) geometries.

  10. High sensitive determination of zinc with novel water-soluble small molecular fluorescent sensor

    International Nuclear Information System (INIS)

    Weng Ying; Chen Zilin; Wang Fang; Xue Lin; Jiang Hua

    2009-01-01

    A high sensitive method of quantitative analysis for the determination of zinc in the nutrition supplements has been developed by using a novel water-soluble fluorescent sensor HQ3: (8-pyridylmethyloxy-2-methyl-quinoline). Under the optimized condition of 67 mM phosphate buffer, pH 7.4, and 5% (v/v) DMSO, the zinc concentration showed good linear relationship with fluorescence intensity in the range of 7.5 x 10 -8 to 2.5 x 10 -5 M with the detection limit of 1.5 x 10 -8 M. HQ3 exhibited high selectivity to zinc comparing with other metal ions except for cadmium. The developed analytical method was successfully used for determining the content of zinc in a real sample of zinc gluconate solution of Sanchine.

  11. Preliminary Evidence on the Diagnostic and Molecular Role of Circulating Soluble EGFR in Non-Small Cell Lung Cancer

    Directory of Open Access Journals (Sweden)

    Filippo Lococo

    2015-08-01

    Full Text Available Assessment of biological diagnostic factors providing clinically-relevant information to guide physician decision-making are still needed for diseases with poor outcomes, such as non-small cell lung cancer (NSCLC. Epidermal growth factor receptor (EGFR is a promising molecule in the clinical management of NSCLC. While the EGFR transmembrane form has been extensively investigated in large clinical trials, the soluble, circulating EGFR isoform (sEGFR, which may have a potential clinical use, has rarely been considered. This study investigates the use of sEGFR as a potential diagnostic biomarker for NSCLC and also characterizes the biological function of sEGFR to clarify the molecular mechanisms involved in the course of action of this protein. Plasma sEGFR levels from a heterogeneous cohort of 37 non-advanced NSCLC patients and 54 healthy subjects were analyzed by using an enzyme-linked immunosorbent assay. The biological function of sEGFR was analyzed in vitro using NSCLC cell lines, investigating effects on cell proliferation and migration. We found that plasma sEGFR was significantly decreased in the NSCLC patient group as compared to the control group (median value: 48.6 vs. 55.6 ng/mL respectively; p = 0.0002. Moreover, we demonstrated that sEGFR inhibits growth and migration of NSCLC cells in vitro through molecular mechanisms that included perturbation of EGF/EGFR cell signaling and holoreceptor internalization. These data show that sEGFR is a potential circulating biomarker with a physiological protective role, providing a first approach to the functional role of the soluble isoform of EGFR. However, the impact of these data on daily clinical practice needs to be further investigated in larger prospective studies.

  12. Preliminary Evidence on the Diagnostic and Molecular Role of Circulating Soluble EGFR in Non-Small Cell Lung Cancer

    Science.gov (United States)

    Lococo, Filippo; Paci, Massimiliano; Rapicetta, Cristian; Rossi, Teresa; Sancisi, Valentina; Braglia, Luca; Cavuto, Silvio; Bisagni, Alessandra; Bongarzone, Italia; Noonan, Douglas M.; Albini, Adriana; Maramotti, Sally

    2015-01-01

    Assessment of biological diagnostic factors providing clinically-relevant information to guide physician decision-making are still needed for diseases with poor outcomes, such as non-small cell lung cancer (NSCLC). Epidermal growth factor receptor (EGFR) is a promising molecule in the clinical management of NSCLC. While the EGFR transmembrane form has been extensively investigated in large clinical trials, the soluble, circulating EGFR isoform (sEGFR), which may have a potential clinical use, has rarely been considered. This study investigates the use of sEGFR as a potential diagnostic biomarker for NSCLC and also characterizes the biological function of sEGFR to clarify the molecular mechanisms involved in the course of action of this protein. Plasma sEGFR levels from a heterogeneous cohort of 37 non-advanced NSCLC patients and 54 healthy subjects were analyzed by using an enzyme-linked immunosorbent assay. The biological function of sEGFR was analyzed in vitro using NSCLC cell lines, investigating effects on cell proliferation and migration. We found that plasma sEGFR was significantly decreased in the NSCLC patient group as compared to the control group (median value: 48.6 vs. 55.6 ng/mL respectively; p = 0.0002). Moreover, we demonstrated that sEGFR inhibits growth and migration of NSCLC cells in vitro through molecular mechanisms that included perturbation of EGF/EGFR cell signaling and holoreceptor internalization. These data show that sEGFR is a potential circulating biomarker with a physiological protective role, providing a first approach to the functional role of the soluble isoform of EGFR. However, the impact of these data on daily clinical practice needs to be further investigated in larger prospective studies. PMID:26295387

  13. The Mechanisms of Calcification in Coccolithophores - The molecular basis of calcium and inorganic carbon transport in Emiliania huxleyi

    OpenAIRE

    Mackinder, Luke

    2012-01-01

    Coccolithophores are calcifying marine phytoplankton that through the fixation of inorganic carbon into calcite and particulate organic carbon play a fundamental role in global carbon cycles. As the CO2 concentration of the surface ocean increases through the anthropogenic release of CO2 by burning fossil fuels both a decrease in pH (ocean acidification) and a increase in dissolved inorganic carbon (ocean carbonation) are taking place. To understand the impact of these ocean changes on coccol...

  14. Secondary Inorganic Soluble Aerosol in Hong Kong: Continuous Measurements, Formation Mechanism Discussion and Improvement of an Observation-Based Model to Study Control Strategies

    Science.gov (United States)

    Xue, Jian

    Work in this thesis focuses on half-hourly or hourly measurements of PM2.5 secondary inorganic aerosols (SIA) in two locations in Hong Kong (HK) using a continuous system, PILS (Particle-into-Liquid System) coupled to two ion chromatographs. The high-resolution data sets allow the examination of SIA temporal dynamics in the scale of hours that the filter-based approach is incapable of providing. (1) Impacts of local emissions, regional transports and their interactions on chemical composition and concentrations of PM2.5 SIA and other ionic species were investigated at the Hong Kong University of Science and Technology (HKUST), a receptor site, under three synoptic conditions. (2) Chemical compositions and size characteristics of ionic species were investigated at Tung Chung, a new town area located in the Southwest part of HK. The sampling period was from 17 to 26 December 2009, covering both normal conditions and an aerosol episode. The three major secondary inorganic ions, SO42, NH4+ and NO 3-, accounted for 47 +/- 6% of PM2.5 mass. Further examination of size characteristics of NO3 - shows that fine mode NO3- is more likely to occur in environments when the fine particles are less acidic and the sea-salt aerosol contributions are low. (3) The ionic chemical composition of PM2.5 and meteorological parameters (e.g., temperature, RH) obtained at the HKUST site under all three different synoptic conditions are input into Aerosol Inorganic Model (AIM-III) for estimation of in situ pH through calculation of H+ amount and aerosol liquid water content (LWC). The second part of this thesis work is to improve an observation-based model (OBAMAP) for SIA, which was first developed by Dr. Zibing Yuan (2006) to evaluate the sensitivity of formation of nitrate ad sulfate to changes in the emissions of their precursors (i.e., NOx, SO2, and VOCs). The improvement work includes incorporating updated chemical mechanisms, thermodynamic equilibrium for gas-aerosol phase

  15. Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange.

    Science.gov (United States)

    Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurélien; Castet, Frédéric; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia S; McClenaghan, Nathan D

    2017-05-23

    Structural integration of two synthetic water soluble receptors for Ca 2+ and Mg 2+ , namely 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (BAPTA) and o-aminophenol-N,N,O-triacetic acid (APTRA), respectively, gave novel di- and tritopic ionophores (1 and 2). As Mg 2+ and Ca 2+ cannot be simultaneously complexed by the receptors, allosteric control of complexation results. Potentiometric measurements established stepwise protonation constants and showed high affinity for Ca 2+ (log K = 6.08 and 8.70 for 1 and 2, respectively) and an excellent selectivity over Mg 2+ (log K = 3.70 and 5.60 for 1 and 2, respectively), which is compatible with magnesium-calcium ion exchange. While ion-exchange of a single Mg 2+ for a single Ca 2+ is possible in both 1 and 2, the simultaneous binding of two Mg 2+ by 2 appears prohibitive for replacement of these two ions by a single Ca 2+ . Ion-binding and exchange was further rationalized by DFT calculations.

  16. The molecular, electronic, bonding, and photophysical features of the [(c-Pt3)Tl(c-Pt3)]+ inorganic metallocenes.

    Science.gov (United States)

    Tsipis, Athanassios C; Gkekas, George N

    2013-06-21

    The molecular, electronic, bonding and photophysical properties of a series of inorganic metallocenes with the general formula {[Pt3(μ2-L)3(L')3]2(μ6-Tl)}(+) (L = CO, CH3CN, PH2, C6F5, or SO2 and L' = CO, PH3, CH3CN, C6F5) have been studied by means of DFT electronic structure calculations. The estimated Tl-cd distances between Tl(+) cations and the centroids (cd) of the trimetallic Pt3(μ2-L)3(L')3 {3 : 3 : 3} decks were found in the range 2.932-3.397 Å. The predicted bond dissociation energy, D0, of the (c-Pt3)···Tl(+) bonds was found to lie within the range -31.5 up to -77.5 kcal mol(-1) at the B3LYP/LANL2TZ(f)(Pt) ∪ 6-31G(d,p)(E) ∪ SRLC(Tl) level of theory. Most of the [(c-Pt3)Tl(c-Pt3)](+) inorganic metallocenes adopt a bend titanocene-like structure. The Localized Orbital Locator (LOL) contour maps along with the 3D contour plots of the Reduced Gradient Density (RDG) mirror the composite nature of the interaction of Tl(+) with the triangular Pt3 metallic ring cores consisting of electrostatic, covalent and dispersion interaction components. The Pt3···Tl(+)···Pt3 bonding mode was further validated by Energy Decomposition Analysis (EDA) calculations which demonstrated that the electrostatic and covalent components of the interaction contribute almost equally to the bonding interactions. Furthermore, Charge Decomposition Analysis (CDA) and Natural Bond Orbital Analysis (NBO) calculations indicated that charge transfer from the Tl(+) cation to the Pt3(0) {3 : 3 : 3} decks also occurs. The {[Pt3(μ2-L)3(L')3]2(μ6-Tl)}(+) sandwiches absorb in the UV-Vis region (300-500 nm) and emit in the visible-near IR region (600-1000 nm). The absorption bands are mainly of MLCT/MC character while phosphorescence is predicted to occur via the first triplet excited state, T1, since the spin density of this excited state could be described as a SOMO - 1/SOMO combination. Generally, no significant distortions occur upon excitation of these systems

  17. Diel Variability of Total and Speciated Water-Soluble Inorganic Iodine in PM2.5 Aerosol at a Southern California Coastal Site

    Science.gov (United States)

    Pszenny, A.; Cotter, K.; Deegan, B.; Fischer, E.; Johnson, D.

    2007-12-01

    PM2.5 aerosol was sampled over nominal 3-hour intervals at the head of Zuma Beach in Malibu, California (USA) from 6 to 24 October 2006 by filtration at 1.13 m3 min-1 (STP) through 20 x 25 cm cellulose fiber (Whatman 41) filters that had been rinsed with deionized water (DIW). Exposed filters were removed from support cartridges as soon as possible after retrieval (usually within 2 hours), immediately sealed in clean polyethylene bags, and stored frozen until further processing. Following the field campaign one quarter of each filter was pressed into a pellet (2.0 cm diameter x 0.5 cm thick) and analyzed by neutron activation for total concentrations of I and several other trace elements. Our preliminary analyses indicate that sodium and iodine show a clear diel variation characterized by higher concentrations from late morning to early evening. We hypothesize that this diel variability is related to a persistent land/sea breeze circulation associated with the nearby coastal region. Other elements are indicative of variability in other aerosol sources such as soil dust (Al, Mn) and fossil fuel combustion (V). Second quarters are currently being extracted in DIW and analyzed in two ways: 1) for iodide by ion chromatography, and 2) for inorganic iodine in higher oxidation states (i.e., V to 0) by chemical reduction with ascorbic acid followed by determination of iodide by ion chromatography. Results of the trace element and speciated iodine analyses will be presented.

  18. Theoretical Characterization of the Spectral Density of the Water-Soluble Chlorophyll-Binding Protein from Combined Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations.

    Science.gov (United States)

    Rosnik, Andreana M; Curutchet, Carles

    2015-12-08

    Over the past decade, both experimentalists and theorists have worked to develop methods to describe pigment-protein coupling in photosynthetic light-harvesting complexes in order to understand the molecular basis of quantum coherence effects observed in photosynthesis. Here we present an improved strategy based on the combination of quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations and excited-state calculations to predict the spectral density of electronic-vibrational coupling. We study the water-soluble chlorophyll-binding protein (WSCP) reconstituted with Chl a or Chl b pigments as the system of interest and compare our work with data obtained by Pieper and co-workers from differential fluorescence line-narrowing spectra (Pieper et al. J. Phys. Chem. B 2011, 115 (14), 4042-4052). Our results demonstrate that the use of QM/MM MD simulations where the nuclear positions are still propagated at the classical level leads to a striking improvement of the predicted spectral densities in the middle- and high-frequency regions, where they nearly reach quantitative accuracy. This demonstrates that the so-called "geometry mismatch" problem related to the use of low-quality structures in QM calculations, not the quantum features of pigments high-frequency motions, causes the failure of previous studies relying on similar protocols. Thus, this work paves the way toward quantitative predictions of pigment-protein coupling and the comprehension of quantum coherence effects in photosynthesis.

  19. Predicting the equilibrium solubility of solid polycyclic aromatic hydrocarbons and dibenzothiophene using a combination of MOSCED plus molecular simulation or electronic structure calculations

    Science.gov (United States)

    Phifer, Jeremy R.; Cox, Courtney E.; da Silva, Larissa Ferreira; Nogueira, Gabriel Gonçalves; Barbosa, Ana Karolyne Pereira; Ley, Ryan T.; Bozada, Samantha M.; O'Loughlin, Elizabeth J.; Paluch, Andrew S.

    2017-06-01

    Methods to predict the equilibrium solubility of non-electrolyte solids are important for the design of novel separation processes. Here we demonstrate how conventional molecular simulation free energy calculations or electronic structure calculations in a continuum solvent, here SMD or SM8, can be used to predict parameters for the MOdified Separation of Cohesive Energy Density (MOSCED) method. The method is applied to the solutes naphthalene, anthracene, phenanthrene, pyrene and dibenzothiophene, compounds of interested to the petroleum industry and for environmental remediation. Adopting the melting point temperature and enthalpy of fusion of these compounds from experiment, we are able to predict equilibrium solubilities. Comparing to a total of 422 non-aqueous and 193 aqueous experimental solubilities, we find the proposed method is able to well correlate the data. The use of MOSCED is additionally advantageous as it is a solubility parameter-based method useful for intuitive solvent selection and formulation.

  20. An overview on molecular chaperones enhancing solubility of expressed recombinant proteins with correct folding.

    Science.gov (United States)

    Mamipour, Mina; Yousefi, Mohammadreza; Hasanzadeh, Mohammad

    2017-09-01

    The majority of research topics declared that most of the recombinant proteins have been expressed by Escherichia coli in basic investigations. But the majority of high expressed proteins formed as inactive recombinant proteins that are called inclusion body. To overcome this problem, several methods have been used including suitable promoter, environmental factors, ladder tag to secretion of proteins into the periplasm, gene protein optimization, chemical chaperones and molecular chaperones sets. Co-expression of the interest protein with molecular chaperones is one of the common methods The chaperones are a group of proteins, which are involved in making correct folding of recombinant proteins. Chaperones are divided two groups including; cytoplasmic and periplasmic chaperones. Moreover, periplasmic chaperones and proteases can be manipulated to increase the yields of secreted proteins. In this article, we attempted to review cytoplasmic chaperones such as Hsp families and periplasmic chaperones including; generic chaperones, specialized chaperones, PPIases, and proteins involved in disulfide bond formation. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. PM 2.5-10, PM 2.5 and associated water-soluble inorganic species at a coastal urban site in the metropolitan region of Rio de Janeiro

    Science.gov (United States)

    Mariani, Rauda L.; de Mello, William Z.

    The concentrations of PM 2.5-10, PM 2.5 and associated water-soluble inorganic species (WSIS) were determined in a coastal site of the metropolitan region of Rio de Janeiro, Southeastern Brazil, from October 1998 to September 1999 ( n=50). Samples were dissolved in water and analyzed for major inorganic ions. The mean (± standard deviation; median) concentrations of PM 2.5-10 and PM 2.5 were, respectively, 26 (± 16; 21) μg m -3 and 17 (± 13; 14) μg m -3. Their mean concentrations were 1.7-1.8 times higher in dry season (May-October) than in rainy season (November-April). The WSIS comprised, respectively, 34% and 28% of the PM 2.5-10 and PM 2.5 masses. Chloride, Na + and Mg 2+ were the predominant ions in PM 2.5-10, indicating a significant influence of sea-salt aerosols. In PM 2.5, SO 42- (˜97% nss-SO 42-) and NH 4+ were the most abundant ions and their equivalent concentration ratio (SO 42-/NH 4+ ˜1.0) suggests that they were present as (NH 4) 2SO 4 particles. The mean concentration of (NH 4) 2SO 4 was 3.4 μg m -3. The mean equivalent PM 2.5 NO 3- concentration was eight times smaller than those of SO 42- and NH 4+. The PM 2.5 NO 3- concentration in dry season was three times higher than in rainy season, probably due to reaction of NaCl (sea salt) with HNO 3 as a result of higher levels of NO y during the dry season and/or reduced volatilization of NH 4NO 3 due to lower wintertime temperature. Chloride depletion was observed in both size ranges, although more pronouncely in PM 2.5.

  2. Binding of inorganic mercury by subcellular fractions and proteins of rat kidneys

    Energy Technology Data Exchange (ETDEWEB)

    Komsta-Szumska, E; Chmielnicka, J; Piotrowski, J K

    1976-01-01

    Inorganic mercury, administered to rats in a single dose of 0.5 mg Hg/kg is accumulated in the kidneys mainly in the soluble (54 percent) and nuclear (30 percent) fractions, showing decreasing tendency with time. Mitochondrial and microsomal fractions, initially accumulating approximately 11 and 6 percent of total Hg, show a tendency to increase the absolute level of Hg for the first week after administration. In the soluble fraction low-molecular weight, metallothioneinlike proteins are mainly responsible for the accumulation of mercury; in other fractions proteins of higher molecular weight prevail.

  3. Molecular characterization of water soluble organic nitrogen in marine rainwater by ultra-high resolution electrospray ionization mass spectrometry

    Directory of Open Access Journals (Sweden)

    K. E. Altieri

    2012-04-01

    Full Text Available Atmospheric water soluble organic nitrogen (WSON is a subset of the complex organic matter in aerosols and rainwater, which impacts cloud condensation processes and aerosol chemical and optical properties and may play a significant role in the biogeochemical cycle of N. However, its sources, composition, connections to inorganic N, and variability are largely unknown. Rainwater samples were collected on the island of Bermuda (32.27° N, 64.87° W, which experiences both anthropogenic and marine influenced air masses. Samples were analyzed by ultra-high resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry to chemically characterize the WSON. Elemental compositions of 2281 N containing compounds were determined over the mass range m/z+ 50 to 500. The five compound classes with the largest number of elemental formulas identified, in order from the highest number of formulas to the lowest, contained carbon, hydrogen, oxygen, and nitrogen (CHON+, CHON compounds that contained sulfur (CHONS+, CHON compounds that contained phosphorus (CHONP+, CHON compounds that contained both sulfur and phosphorus (CHONSP+, and compounds that contained only carbon, hydrogen, and nitrogen (CHN+. Compared to rainwater collected in the continental USA, average O:C ratios of all N containing compound classes were lower in the marine samples whereas double bond equivalent values were higher, suggesting a reduced role of secondary formation mechanisms. Despite their prevalence in continental rainwater, no organonitrates or nitrooxy-organosulfates were detected, but there was an increased presence of organic S and organic P containing compounds in the marine rainwater. Cluster analysis showed a clear chemical distinction between samples collected during the cold season (October to March which have anthropogenic air mass origins and samples collected during the warm season (April to September with remote

  4. Extremely stable soluble high molecular mass multi-protein complex with DNase activity in human placental tissue.

    Directory of Open Access Journals (Sweden)

    Evgeniya E Burkova

    Full Text Available Human placenta is an organ which protects, feeds, and regulates the grooving of the embryo. Therefore, identification and characterization of placental components including proteins and their multi-protein complexes is an important step to understanding the placenta function. We have obtained and analyzed for the first time an extremely stable multi-protein complex (SPC, ∼ 1000 kDa from the soluble fraction of three human placentas. By gel filtration on Sepharose-4B, the SPC was well separated from other proteins of the placenta extract. Light scattering measurements and gel filtration showed that the SPC is stable in the presence of NaCl, MgCl2, acetonitrile, guanidinium chloride, and Triton in high concentrations, but dissociates efficiently in the presence of 8 M urea, 50 mM EDTA, and 0.5 M NaCl. Such a stable complex is unlikely to be a casual associate of different proteins. According to SDS-PAGE and MALDI mass spectrometry data, this complex contains many major glycosylated proteins with low and moderate molecular masses (MMs 4-14 kDa and several moderately abundant (79.3, 68.5, 52.8, and 27.2 kDa as well as minor proteins with higher MMs. The SPC treatment with dithiothreitol led to a disappearance of some protein bands and revealed proteins with lower MMs. The SPCs from three placentas efficiently hydrolyzed plasmid supercoiled DNA with comparable rates and possess at least two DNA-binding sites with different affinities for a 12-mer oligonucleotide. Progress in study of placental protein complexes can promote understanding of their biological functions.

  5. Water-soluble low-molecular-weight -(1, 3–1, 6 D-Glucan inhibit cedar pollinosis

    Directory of Open Access Journals (Sweden)

    Tomoko Jippo

    2015-02-01

    Full Text Available Background: The incidence of allergic diseases such as allergic rhinitis, atopic dermatitis, asthma, and food allergies has increased in several countries. Mast cells have critical roles in various biologic processes related to allergic diseases. Mast cells express the high-affinity receptor for immunoglobulin (Ig E on their surface. The interaction of multivalent antigens with surface-bound IgE causes the secretion of granule-stored mediators, as well as the de novosynthesis of cytokines. Those mediators and cytokines proceed the allergic diseases. We investigated the effects of water-soluble, low-molecular-weight -(1, 3–1, 6 D-glucan isolated from Aureobasidium pullulans 1A1 strain black yeast (LMW--glucan on mast cell-mediated anaphylactic reactions. We reported that LMW--glucan dose-dependently inhibited the degranulation of mast cells. Furthermore, we found that orally administered LMW--glucan inhibited the IgE-mediated passive cutaneous anaphylaxis (PCA reaction in mice. Here, we examined if LMW--glucan had effects on Japanese cedar pollinosis. Findings: In a clinical study, a randomized, single-blind, placebo-controlled, parallel group study in 65 subjects (aged 2262 was performed. This study was undertaken 3 weeks before and until the end of the cedar pollen season. During the study, all subjects consumed one bottle of placebo or LMW--glucan daily and all subjects were required to record allergic symptoms in a diary. The LMW--glucan group had a significantly lower prevalence of sneezing, nose-blowing, tears, and hindrance to the activities of daily living than the placebo group. Conclusions: These results suggested that LMW--glucan could be an effective treatment for allergic diseases

  6. Role of Molecular Interactions for Synergistic Precipitation Inhibition of Poorly Soluble Drug in Supersaturated Drug-Polymer-Polymer Ternary Solution.

    Science.gov (United States)

    Prasad, Dev; Chauhan, Harsh; Atef, Eman

    2016-03-07

    We are reporting a synergistic effect of combined Eudragit E100 and PVP K90 in precipitation inhibition of indomethacin (IND) in solutions at low polymer concentration, a phenomenon that has significant implications on the usefulness of developing novel ternary solid dispersion of poorly soluble drugs. The IND supersaturation was created by cosolvent technique, and the precipitation studies were performed in the absence and the presence of individual and combined PVP K90 and Eudragit E100. The studies were also done with PEG 8000 as a noninteracting control polymer. A continuous UV recording of the IND absorption was used to observe changes in the drug concentration over time. The polymorphic form and morphology of precipitated IND were characterized by Raman spectroscopy and scanning electron microscopy. The change in the chemical shift in solution (1)H NMR was used as novel approach to probe IND-polymer interactions. Molecular modeling was used for calculating binding energy between IND-polymer as another indication of IND-polymer interaction. Spontaneous IND precipitation was observed in the absence of polymers. Eudragit E100 showed significant inhibitory effect on nuclei formation due to stronger interaction as reflected in higher binding energy and greater change in chemical shift by NMR. PVP K90 led to significant crystal growth inhibition due to adsorption on growing IND crystals as confirmed by modified crystal habit of precipitate in the presence of PVP K90. Combination of polymers resulted in a synergistic precipitation inhibition and extended supersaturation. The NMR confirmed interaction between IND-Eudragit E100 and IND-PVP K90 in solution. The combination of polymers showed similar peak shift albeit using lower polymer concentration indicating stronger interactions. The results established the significant synergistic precipitation inhibition effect upon combining Eudragit E100 and PVP K90 due to drug-polymer interaction.

  7. Ring-opening polymerization of 19-electron [2]cobaltocenophanes: a route to high-molecular-weight, water-soluble polycobaltocenium polyelectrolytes.

    Science.gov (United States)

    Mayer, Ulrich F J; Gilroy, Joe B; O'Hare, Dermot; Manners, Ian

    2009-08-05

    Water-soluble, high-molecular-weight polycobaltocenium polyelectrolytes have been prepared by ring-opening polymerization (ROP) techniques. Anionic polymerization of a strained 19-electron dicarba[2]cobaltocenophane followed by oxidation in the presence of ammonium chloride resulted in the formation of oligomers with up to nine repeat units. Thermal ROP of dicarba[2]cobaltocenophane followed by oxidation in the presence of ammonium nitrate resulted in the formation of high-molecular-weight polycobaltocenium nitrate, a redox-active cobalt-containing polyelectrolyte.

  8. Inorganic liquid scintillator

    International Nuclear Information System (INIS)

    Pavlicek, Z.; Barta, C.; Jursova, L.

    1986-01-01

    An inorganic liquid scintillator is designed which contains 1 to 30 wt.% of an inorganic molecular compound as the basic active component; the compound contains a cation with an atomic number higher than 47 and a halogen anion. The basic inorganic component is dissolved in water or in an organic solvent in form of non-dissociated molecules or self-complexes in which the bond is preserved between the cation and anion components. The light yield from these scintillators ranges between 70 and 150% of the light yield of a standard organic scintillator based on toluene. They are advantageous in that that they allow to increase the water content in the sample to up to 100%. (M.D.)

  9. Selective microextraction of carbaryl and naproxen using organic–inorganic monolithic columns containing a double molecular imprint

    International Nuclear Information System (INIS)

    Zhang, Ting; Ma, Chao; Wu, Mei; Ye, Yong; Chen, Huaixia; Huang, Jianlin

    2013-01-01

    We report on an organic–inorganic hybrid material that was double imprinted with the insecticide carbaryl and the anti-inflammatory drug naproxen by a single-step method and that can serve for selective microextraction of the two analytes. The materials, in the form of monolithic columns, were characterized by scanning electron microscopy and Fourier transform IR spectra. A simple, rapid and sensitive method was then developed for the simultaneous determination of carbaryl and naproxen in lettuce and river water using these columns for microextraction, HPLC for separation, and a diode array for UV detection. The limits of detection (at S/N = 3) and quantification (at S/N = 10) are in the ranges of 2.5 – 8.8 μg kg −1 and 2.3 – 8.0 μg L −1 for lettuce and Yangtze River water, respectively. The recoveries of this method range from 93.0 to 108 % (in case of analyzing lettuce and river water), and relative standard deviations are <8.9 %. (author)

  10. New inorganic-organic hybrid materials based on SBA-15 molecular sieves involved in the quinolines synthesis

    Czech Academy of Sciences Publication Activity Database

    López-Sanz, J.; Pérez-Mayoral, E.; Soriano, E.; Sturm, M.; Martín-Aranda, R. M.; López-Peinado, A. J.; Čejka, Jiří

    2012-01-01

    Roč. 187, č. 1 (2012), s. 97-103 ISSN 0920-5861 R&D Projects: GA AV ČR KAN100400701 Institutional support: RVO:61388955 Keywords : mesoporous molecular sieves * heterogeneous catalysis * quinolines Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.980, year: 2012

  11. Ferric reductase activity of low molecular weight human milk fraction is associated with enhanced iron solubility and uptake in Caco-2 cells.

    Science.gov (United States)

    Pullakhandam, Raghu; Nair, Madhavan Krishnapillai; Kasula, Sunanda; Kilari, Sreenivasulu; Thippande, Tippeswamy Gowda

    2008-09-19

    It is known that the fractional absorption of extrinsic iron from human milk is higher in infants and adults. A low molecular weight milk fraction has been proposed to increase the bioavailability of iron from human milk. Nevertheless, the mechanisms remained elusive. Here in we demonstrate ferric reductase activity (Km7.73x10(-6)M) in low molecular weight human milk fraction (10kF, filtrate derived from ultra filtration of milk whey through 10kDa cutoff membrane), which increased ferric iron solubility and iron uptake in Caco-2 cells. The 10kF fraction was as effective as ascorbic acid (1:20 iron to ascorbic acid) in increasing the ferric iron solubility and uptake in Caco-2 cells. Further, gel filtration chromatography on peptide column led to co-elution of ferric reductase and iron solubilization activities at an apparent molecular mass of iron in Caco-2 cells. Thus, it is concluded that human milk possesses ferric reductase activity and is associated with ferric iron solubilization and enhanced absorption.

  12. Estimation of octanol/water partition coefficient and aqueous solubility of environmental chemicals using molecular fingerprints and machine learning methods

    Science.gov (United States)

    Octanol/water partition coefficient (logP) and aqueous solubility (logS) are two important parameters in pharmacology and toxicology studies, and experimental measurements are usually time-consuming and expensive. In the present research, novel methods are presented for the estim...

  13. Soy Glycenin: Influence of pH and Ionic Strength on Solubility and Molecular Structure at Ambient Temperatures

    NARCIS (Netherlands)

    Lakemond, C.M.M.; Jongh, de H.H.J.; Hessing, M.; Gruppen, H.; Voragen, A.G.J.

    2000-01-01

    This study describes the relationship between the solubility of glycinin, a major soy protein, and its structural properties at a quaternary, tertiary, and secondary folding level under conditions representative for food products. When the ionic strength is lowered from 0.5 to 0.2 or 0.03, the basic

  14. Comparing and correlating solubility parameters governing the self-assembly of molecular gels using 1,3:2,4-dibenzylidene sorbitol as the gelator.

    Science.gov (United States)

    Lan, Yaqi; Corradini, Maria G; Liu, Xia; May, Tim E; Borondics, Ferenc; Weiss, Richard G; Rogers, Michael A

    2014-12-02

    Solvent properties play a central role in mediating the aggregation and self-assembly of molecular gelators and their growth into fibers. Numerous attempts have been made to correlate the solubility parameters of solvents and gelation abilities of molecular gelators, but a comprehensive comparison of the most important parameters has yet to appear. Here, the degree to which partition coefficients (log P), Henry's law constants (HLC), dipole moments, static relative permittivities (ε(r)), solvatochromic E(T)(30) parameters, Kamlet-Taft parameters (β, α, and π), Catalan's solvatochromic parameters (SPP, SB, and SA), Hildebrand solubility parameters (δ(i)), and Hansen solubility parameters (δ(p), δ(d), δ(h)) and the associated Hansen distance (R(ij)) of 62 solvents (covering a wide range of properties) can be correlated with the self-assembly and gelation of 1,3:2,4-dibenzylidene sorbitol (DBS) gelation, a classic molecular gelator, is assessed systematically. The approach presented describes the basis for each of the parameters and how it can be applied. As such, it is an instructional blueprint for how to assess the appropriate type of solvent parameter for use with other molecular gelators as well as with molecules forming other types of self-assembled materials. The results also reveal several important insights into the factors favoring the gelation of solvents by DBS. The ability of a solvent to accept or donate a hydrogen bond is much more important than solvent polarity in determining whether mixtures with DBS become solutions, clear gels, or opaque gels. Thermodynamically derived parameters could not be correlated to the physical properties of the molecular gels unless they were dissected into their individual HSPs. The DBS solvent phases tend to cluster in regions of Hansen space and are highly influenced by the hydrogen-bonding HSP, δ(h). It is also found that the fate of this molecular gelator, unlike that of polymers, is influenced not only by

  15. Mass transfer of SCWO processes: Molecular diffusion and mass transfer coefficients of inorganic nitrate species in sub- and supercritical water

    Energy Technology Data Exchange (ETDEWEB)

    Goemans, M.G.E.; Gloyna, E.F. [Univ. of Texas, Austin, TX (United States). Dept. of Civil Engineering; Buelow, S.J. [Los Alamos National Lab., NM (United States)

    1996-04-01

    Molecular diffusion coefficients of lithium-, sodium-, potassium-, cesium-, calcium-, and strontium nitrate in subcritical water were determined by analysis of Taylor dispersion profiles. Pressures ranged from 300 to 500 bar at temperatures ranging from 25{degrees}C to 300{degrees}C. The reported diffusion values were determined at infinite dilution. Molecular diffusion coefficients were 10 to 20 times faster in near-critical subcritical water than in water at ambient temperature and pressure (ATP). These findings implied that the diffusion rates were more liquid like than they were gas like, hence experimental results were correlated with diffusion models for liquids. The subcritical diffusion data presented in this work, and supercritical diffusion results published elsewhere were correlated with hydrodynamic diffusion equations. Both the Wilke-Chang correlation and the Stokes-Einstein equation yielded predictions within 10% of the experimental results if the structure of the diffusing species could be estimated. The effect of the increased diffusion rates on mass transfer rates in supercritical water oxidation applications was quantified, with emphasis on heterogeneous oxidation processes. This study and results published elsewhere showed that diffusion limited conditions are much more likely to be encountered in SCWO processes than commonly acknowledged.

  16. Improving the mining soil quality for a vegetation cover after addition of sewage sludges: inorganic ions and low-molecular-weight organic acids in the soil solution.

    Science.gov (United States)

    Peña, Aránzazu; Mingorance, Mª Dolores; Guzmán-Carrizosa, Ignacio; Fernández-Espinosa, Antonio J

    2015-03-01

    We assessed the effects of applying stabilized sewage sludge (SSL) and composted sewage sludge (CLV), at 5 and 10% to an acid mining soil. Limed soil (NCL) amended or not with SSL and CLV was incubated for 47 days. We studied the cations and organic and inorganic anions in the soil solution by means of ion chromatography. Liming led to big increases in Ca(2+) and SO4(2-) and to significant decreases in K(+), Mg(2+), NH4(+) and NO3(-). Addition of both organic amendments increased some cations (NH4(+), K(+), Mg(2+), Na(+)) and anions (Cl(-), NO3(-) only with CLV and PO4(3-) only with SSL) and provided a greater amount of low-molecular-weight organic acids (LMWOAs) (SSL more than CLV). Incubation led to decreases in all cations, particularly remarkable for Ca(2+) and Mg(2+) in SSL-10. A decrease in NH4(+) was associated with variations in NO2(-) and NO3(-) resulting from nitrification reactions. During incubation the LMWOAs content tended to decrease similarly to the cations, especially in SSL-10. Chemometric tools revealed a clear discrimination between SSL, CLV and NCL. Furthermore, treatment effects depended upon dose, mainly in SSL. Amendment nature and dose affect the quality of a mining soil and improve conditions for plant establishment. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Hydrogen bonded supra-molecular framework in inorganic-organic hybrid compounds: Syntheses, structures, and photoluminescent properties

    Science.gov (United States)

    Yan, Li; Liu, Wei; Li, Chuanbi; Wang, Yifei; Ma, Li; Dong, Qinqin

    2013-03-01

    Two novel compounds constructed from aromatic acid and N-Heterocyclic ligands have been synthesized by hydrothermal reaction: [Cd(mip)(1,8-NDC)(H2O)]2 (1) [mip = 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, 1,8-NDC = naphthalene-1,8-dicarboxylic acid] and Cd(mip)2(NTC)2 (2) [NTC = nicotinic acid]. Compounds 1 and 2 are characterized by elemental analysis, IR, single crystal X-ray diffraction and thermogravimetric analysis (TGA). Single-crystal X-ray investigation reveals that compounds 1-2 are 0 dimensional (0D) structures, and the existence of hydrogen bonds and π-π interactions lead the 0D to 2D novel framework. Hydrogen bonds and π-π interactions are powerful non-covalent intermolecular interactions for directing supra-molecular architectures. TG analysis shows clear courses of weight loss, which corresponds to the decomposition of different ligands. At room temperature, compound 1 exhibits emission at 449 nm upon excitation at 325 nm, and compound 2 shows a strong emission at 656 nm upon excitation at 350 nm. Fluorescent spectrum displays that compounds 1 and 2 are potential luminescent materials.

  18. Unconventional, Chemically Stable, and Soluble Two-Dimensional Angular Polycyclic Aromatic Hydrocarbons: From Molecular Design to Device Applications

    KAUST Repository

    Zhang, Lei; Cao, Yang; Colella, Nicholas S.; Liang, Yong; Bredas, Jean-Luc; Houk, Kendall N.; Briseñ o, Alejandro L.

    2015-01-01

    , longer acenes, which could exhibit even better performance, are susceptible to oxidation, photodegradation, and, in solar cells which contain fullerenes, Diels-Alder reactions. This Account highlights recent advances in the molecular design of two

  19. Technical Note: Molecular characterization of aerosol-derived water soluble organic carbon using ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

    Directory of Open Access Journals (Sweden)

    R. M. Dickhut

    2008-09-01

    Full Text Available Despite the acknowledged relevance of aerosol-derived water-soluble organic carbon (WSOC to climate and biogeochemical cycling, characterization of aerosol WSOC has been limited. Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS was utilized in this study to provide detailed molecular level characterization of the high molecular weight (HMW; m/z>223 component of aerosol-derived WSOC collected from rural sites in Virginia and New York, USA. More than 3000 peaks were detected by ESI FT-ICR MS within a m/z range of 223–600 for each sample. Approximately 86% (Virginia and 78% (New York of these peaks were assigned molecular formulas using only carbon (C, hydrogen (H, oxygen (O, nitrogen (N, and sulfur (S as elemental constituents. H/C and O/C molar ratios were plotted on van Krevelen diagrams and indicated a strong contribution of lignin-like and lipid-like compounds to the aerosol-derived WSOC samples. Approximately 1–4% of the peaks in the aerosol-derived WSOC mass spectra were classified as black carbon (BC on the basis of double bond equivalents calculated from the assigned molecular formulas. In addition, several high-magnitude peaks in the mass spectra of samples from both sites corresponded to molecular formulas proposed in previous secondary organic aerosol (SOA laboratory investigations indicating that SOAs are important constituents of the WSOC. Overall, ESI FT-ICR MS provides a level of resolution adequate for detailed compositional and source information of the HMW constituents of aerosol-derived WSOC.

  20. Radiation grafting of various water-soluble monomers on ultra-high molecular weight polyethylene powder. Part II: Thermal, FTIR and morphological characterisation

    Energy Technology Data Exchange (ETDEWEB)

    Aydinli, Bahattin; Tincer, Teoman E-mail: teotin@metu.edu.tr

    2001-10-01

    Radiation induced grafted polyacrylic acid (PAA), polymethacrylic acid (PMAA), polyacrylamide (PAAm), poly N,N-dimethyl acrylamide (PNDAAm) and poly 1-vinyl-2 pyrrolidone (PVP) on ultra-high molecular weight polyethylene (UHMWPE) were characterised by DSC, FTIR and SEM analysis. While the effect of irradiation on pure UHMWPE was found to increase crystallinity and cause higher enthalpy of crystallisation, grafted UHMWPE powders showed lower crystallinity and enthalpy of crystallisation. In all grafted UHMWPE there existed secondary transitions corresponding to grafting polymers in the first run of DSC above 60 deg. C and they became clearer at a higher grafting level. In the second run of DSC some T{sub g} values appeared to shift to higher temperatures while some were not detected. FTIR analysis indicated the presence of water-soluble polymers in the grafted UHMWPE. The characteristic peaks of water-soluble polymers became sharper in the grafted UHMWPE. SEM analysis revealed that the grafting occurs both on fiber and microparticles of UHMWPE while flowing characteristic of powder is retained.

  1. Radiation grafting of various water-soluble monomers on ultra-high molecular weight polyethylene powder. Part II: Thermal, FTIR and morphological characterisation

    Science.gov (United States)

    Aydınlı, Bahattin; Tin c̡er, Teoman

    2001-10-01

    Radiation induced grafted polyacrylic acid (PAA), polymethacrylic acid (PMAA), polyacrylamide (PAAm), poly N,N-dimethyl acrylamide (PNDAAm) and poly 1-vinyl-2 pyrrolidone (PVP) on ultra-high molecular weight polyethylene (UHMWPE) were characterised by DSC, FTIR and SEM analysis. While the effect of irradiation on pure UHMWPE was found to increase crystallinity and cause higher enthalpy of crystallisation, grafted UHMWPE powders showed lower crystallinity and enthalpy of crystallisation. In all grafted UHMWPE there existed secondary transitions corresponding to grafting polymers in the first run of DSC above 60°C and they became clearer at a higher grafting level. In the second run of DSC some Tg values appeared to shift to higher temperatures while some were not detected. FTIR analysis indicated the presence of water-soluble polymers in the grafted UHMWPE. The characteristic peaks of water-soluble polymers became sharper in the grafted UHMWPE. SEM analysis revealed that the grafting occurs both on fiber and microparticles of UHMWPE while flowing characteristic of powder is retained.

  2. A novel water-soluble 1,8-naphthalimide as a fluorescent pH-probe and a molecular logic circuit

    International Nuclear Information System (INIS)

    Georgiev, Nikolai I.; Dimitrova, Margarita D.; Krasteva, Paoleta V.; Bojinov, Vladimir B.

    2017-01-01

    A novel highly water-soluble fluorescence sensing 1,8-naphthalimide is synthesized and investigated. The novel compound is designed on the “fluorophore-receptor 1 -spacer-receptor 2 ” model as a molecular fluorescence probe for determination of ions in 100% aqueous media. The novel probe comprising hydrazide and N-methylpiperazine substituents is capable of operating simultaneously via ICT and PET signaling mechanism and of recognizing selectively protons and hydroxyl anions over the representative metal ions and anions. Due to the remarkable fluorescence changes as a function of pH the system is able to act as a three output combinatorial logic circuit with two chemical inputs. Two INHIBIT gates in fluorescence and absorption mode as well as an IMPLICATION logic gate are obtained. Because of the parallel action of both INHIBIT gates a magnitude digital comparator is achieved for the first time in this way.

  3. Aging impacts of low molecular weight organic acids (LMWOAs) on furfural production residue-derived biochars: Porosity, functional properties, and inorganic minerals.

    Science.gov (United States)

    Liu, Guocheng; Chen, Lei; Jiang, Zhixiang; Zheng, Hao; Dai, Yanhui; Luo, Xianxiang; Wang, Zhenyu

    2017-12-31

    The aging of biochar by low molecular weight organic acids (LMWOAs), which are typical root-derived exudates, is not well understood. Three LMWOAs (ethanoic, malic, and citric acids) were employed to investigate their aging impacts on the biochars from furfural production residues at 300-600°C (BC300-600). The LMWOAs created abundant macropores in BC300, whereas they significantly increased the mesoporosity and surface area of BC600 by 13.5-27.0% and 44.6-61.5%, respectively. After LMWOA aging, the content of C and H of the biochars increased from 51.3-60.2% and 1.87-3.45% to 56.8-69.9% and 2.06-4.45%, respectively, but the O content decreased from 13.8-24.8% to 7.82-19.4% (except BC300). For carbon fraction in the biochars, the LMWOAs barely altered the bulk and surface functional properties during short-term aging. The LMWOAs facilitated the dissolution of minerals (e.g., K 2 Mg(PO 3 ) 4 , AlPO 4 , and Pb 2 P 2 O 7 ) and correspondingly promoted the release of not only plant nutrients (K + , Ca 2+ , Mg 2+ , Fe 3+ , PO 4 3- , and SO 4 2- ) but also toxic metals (Al 3+ and Pb 2+ ). This research provided systematic insights on the responses of biochar properties to LMWOAs and presented direct evidence for acid activation of inorganic minerals in the biochars by LMWOAs, which could enhance the understanding of environmental behaviors of biochars in rhizosphere soils. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

    Science.gov (United States)

    Moučka, Filip; Kolafa, Jiří; Lísal, Martin; Smith, William R.

    2018-06-01

    We present a molecular-level simulation study of CaCl2 in water and crystalline hydrates formed by CaCl2 at ambient (298.15 K, 1 bar) conditions and at a high-temperature high-pressure state (365 K, 275 bars) typical of hydraulic fracturing conditions in natural-gas extraction, at which experimental properties are poorly characterized. We focus on simulations of chemical potentials in both solution and crystalline phases and on the salt solubility, the first time to our knowledge that such properties have been investigated by molecular simulation for divalent aqueous electrolytes. We first extend our osmotic ensemble Monte Carlo simulation technique [F. Moučka et al., J. Phys. Chem. B 115, 7849-7861 (2011)] to such solutions. We then describe and apply new methodology for the simulation of the chemical potentials of the experimentally observed crystalline hydrates at ambient conditions (antarcticite, CaCl2.6H2O) and at high-temperature conditions (sinjarite, CaCl2.2H2O). We implement our methodologies using for both phases the CaCl2 transferable force field (FF) based on simple point charge-extended water developed by Mamatkulov et al. [J. Chem. Phys. 138, 024505 (2013)], based on training sets involving single-ion and ion-pair low-concentration solution properties at near-ambient conditions. We find that simulations of the solution chemical potentials at high concentrations are somewhat problematic, exhibiting densities diverging from experimental values and accompanied by dramatically decreasing particle mobility. For the solid phases, the sinjarite crystalline lattice differs from experiment only slightly, whereas the simulations of antarcticite completely fail, due to instability of the crystalline lattice. The FF thus only successfully yields the sinjarite solubility, but its value m = 8.0(7) mol kg-1H2O lies well below the experimentally observed solubility range at 1 bar pressure of (12m, 15m) in the temperature interval (320 K, 400 K). We conclude that the

  5. Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations.

    Science.gov (United States)

    Moučka, Filip; Svoboda, Martin; Lísal, Martin

    2017-06-28

    To address the high salinity of flow-back water during hydraulic fracturing, we have studied the equilibrium partitioning of NaCl and water between the bulk phase and clay pores. In shale rocks, such a partitioning can occur between fractures with a bulk-like phase and clay pores. We use an advanced Grand Canonical Monte Carlo (GCMC) technique based on fractional exchanges of dissolved ions and water molecules. We consider a typical shale gas reservoir condition of a temperature of 365 K and pressure of 275 bar, and we represent clay pores by pyrophyllite and Na-montmorillonite slits of a width ranging from about 7 to 28 Å, covering clay pores from dry clay to clay pores with a bulk-like layer in the middle of the pore. We employ the Joung-Cheatham model for ions, SPC/E model for water and CLAYFF for the clay pores. We first determine the chemical potentials for NaCl and water in the bulk phase using Osmotic Ensemble Monte Carlo simulations. The chemical potentials are then used in GCMC to simulate the adsorption of ions and water molecules in the clay pores, and in turn to predict the salt solubility in confined solutions. Besides the thermodynamic properties, we evaluate the structure and in-plane diffusion of the adsorbed fluids, and ion conductivities.

  6. Plutonium solubilities

    International Nuclear Information System (INIS)

    Puigdomnech, I.; Bruno, J.

    1991-02-01

    Thermochemical data has been selected for plutonium oxide, hydroxide, carbonate and phosphate equilibria. Equilibrium constants have been evaluated in the temperature range 0 to 300 degrees C at a pressure of 1 bar to T≤100 degrees C and at the steam saturated pressure at higher temperatures. Measured solubilities of plutonium that are reported in the literature for laboratory experiments have been collected. Solubility data on oxides, hydroxides, carbonates and phosphates have been selected. No solubility data were found at temperatures higher than 60 degrees C. The literature solubility data have been compared with plutonium solubilities calculated with the EQ3/6 geochemical modelling programs, using the selected thermodynamic data for plutonium. (authors)

  7. Modelling Aqueous Solubility of Sodium Chloride in Clays at Thermodynamic Conditions of Hydraulic Fracturing by Molecular Simulations.

    Czech Academy of Sciences Publication Activity Database

    Moučka, Filip; Svoboda, Martin; Lísal, Martin

    2017-01-01

    Roč. 19, JUL 7 (2017), s. 16586-16599 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA16-12291S EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT Institutional support: RVO:67985858 Keywords : molecular simulation * Monte Carlo (GCMC) technique * clay pores Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.123, year: 2016

  8. Thermochromic Fluorescence from B18H20(NC5H5)(2): An Inorganic-Organic Composite Luminescent Compound with an Unusual Molecular Geometry

    Czech Academy of Sciences Publication Activity Database

    Londesborough, Michael Geoffrey Stephen; Dolanský, Jiří; Cerdán, L.; Lang, Kamil; Jelínek, Tomáš; Oliva, J. M.; Hnyk, Drahomír; Roca-Sanjuan, D.; Frances-Monerris, A.; Martinčík, Jiří; Nikl, Martin; Kennedy, John David

    2017-01-01

    Roč. 5, č. 6 (2017), č. článku UNSP 1600694. ISSN 2195-1071 R&D Projects: GA ČR(CZ) GA13-09876S Institutional support: RVO:61388980 ; RVO:68378271 Keywords : boranes * energy transfer * fluorescence * solar concentrators * thermochromicity Subject RIV: CA - Inorganic Chemistry ; BH - Optics, Masers, Lasers (FZU-D) OBOR OECD: Inorganic and nuclear chemistry ; Optics (including laser optics and quantum optics) (FZU-D) Impact factor: 6.875, year: 2016

  9. Human Exposure and Health Effects of Inorganic and Elemental Mercury

    OpenAIRE

    Park, Jung-Duck; Zheng, Wei

    2012-01-01

    Mercury is a toxic and non-essential metal in the human body. Mercury is ubiquitously distributed in the environment, present in natural products, and exists extensively in items encountered in daily life. There are three forms of mercury, i.e., elemental (or metallic) mercury, inorganic mercury compounds, and organic mercury compounds. This review examines the toxicity of elemental mercury and inorganic mercury compounds. Inorganic mercury compounds are water soluble with a bioavailability o...

  10. Selective inorganic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, M.L.F.; Weisenbach, L.A.; Anderson, M.T. [Sandia National Laboratories, Albuquerque, NM (United States)] [and others

    1995-05-01

    This project is developing inorganic thin films as membranes for gas separation applications, and as discriminating coatings for liquid-phase chemical sensors. Our goal is to synthesize these coatings with tailored porosity and surface chemistry on porous substrates and on acoustic and optical sensors. Molecular sieve films offer the possibility of performing separations involving hydrogen, air, and natural gas constituents at elevated temperatures with very high separation factors. We are focusing on improving permeability and molecular sieve properties of crystalline zeolitic membranes made by hydrothermally reacting layered multicomponent sol-gel films deposited on mesoporous substrates. We also used acoustic plate mode (APM) oscillator and surface plasmon resonance (SPR) sensor elements as substrates for sol-gel films, and have both used these modified sensors to determine physical properties of the films and have determined the sensitivity and selectivity of these sensors to aqueous chemical species.

  11. Unconventional, Chemically Stable, and Soluble Two-Dimensional Angular Polycyclic Aromatic Hydrocarbons: From Molecular Design to Device Applications

    KAUST Repository

    Zhang, Lei

    2015-03-17

    Polycyclic aromatic hydrocarbons (PAHs), consisting of laterally fused benzene rings, are among the most widely studied small-molecule organic semiconductors, with potential applications in organic field-effect transistors (OFETs) and organic photovoltaics (OPVs). Linear acenes, including tetracene, pentacene, and their derivatives, have received particular attention due to the synthetic flexibility in tuning their chemical structure and properties and to their high device performance. Unfortunately, longer acenes, which could exhibit even better performance, are susceptible to oxidation, photodegradation, and, in solar cells which contain fullerenes, Diels-Alder reactions. This Account highlights recent advances in the molecular design of two-dimensional (2-D) PAHs that combine device performance with environmental stability. New synthetic techniques have been developed to create stable PAHs that extend conjugation in two dimensions. The stability of these novel compounds is consistent with Clar\\'s sextet rule as the 2-D PAHs have greater numbers of sextets in their ground-state configuration than their linear analogues. The ionization potentials (IPs) of nonlinear acenes decrease more slowly with annellation in comparison to their linear counterparts. As a result, 2-D bistetracene derivatives that are composed of eight fused benzene rings are measured to be about 200 times more stable in chlorinated organic solvents than pentacene derivatives with only five fused rings.Single crystals of the bistetracene derivatives have hole mobilities, measured in OFET configuration, up to 6.1 cm2 V-1 s-1, with remarkable Ion/Ioff ratios of 107. The density functional theory (DFT) calculations can provide insight into the electronic structures at both molecular and material levels and to evaluate the main charge-transport parameters. The 2-D acenes with large aspect ratios and appropriate substituents have the potential to provide favorable interstack electronic interactions

  12. Welcome to Inorganics: A New Open Access, Inclusive Forum for Inorganic Chemistry

    Directory of Open Access Journals (Sweden)

    Duncan H. Gregory

    2013-06-01

    Full Text Available One of the beauties of inorganic chemistry is its sheer diversity. Just as chemistry sits at the centre of the sciences, inorganic chemistry sits at the centre of chemistry itself. Inorganic chemists are fortunate in having the entire periodic table at their disposal, providing a palette for the creation of a multitude of rich and diverse compounds and materials from the simplest salts to the most complex of molecular species. It follows that the language of inorganic chemistry can thus be a demanding one, accommodating sub-disciplines with very different perspectives and frames of reference. One could argue that it is the unequivocal breadth of inorganic chemistry that empowers inorganic chemists to work at the interfaces, not just between the traditional Inorganic-Organic-Physical boundaries of the discipline, but in the regions where chemistry borders the other physical and life sciences, engineering and socio-economics. [...

  13. A Comparative Study of Molecular Structure, pKa, Lipophilicity, Solubility, Absorption and Polar Surface Area of Some Antiplatelet Drugs

    Directory of Open Access Journals (Sweden)

    Milan Remko

    2016-03-01

    Full Text Available Theoretical chemistry methods have been used to study the molecular properties of antiplatelet agents (ticlopidine, clopidogrel, prasugrel, elinogrel, ticagrelor and cangrelor and several thiol-containing active metabolites. The geometries and energies of most stable conformers of these drugs have been computed at the Becke3LYP/6-311++G(d,p level of density functional theory. Computed dissociation constants show that the active metabolites of prodrugs (ticlopidine, clopidogrel and prasugrel and drugs elinogrel and cangrelor are completely ionized at pH 7.4. Both ticagrelor and its active metabolite are present at pH = 7.4 in neutral undissociated form. The thienopyridine prodrugs ticlopidine, clopidogrel and prasugrel are lipophilic and insoluble in water. Their lipophilicity is very high (about 2.5–3.5 logP values. The polar surface area, with regard to the structurally-heterogeneous character of these antiplatelet drugs, is from very large interval of values of 3–255 Å2. Thienopyridine prodrugs, like ticlopidine, clopidogrel and prasugrel, with the lowest polar surface area (PSA values, exhibit the largest absorption. A high value of polar surface area (PSA of cangrelor (255 Å2 results in substantial worsening of the absorption in comparison with thienopyridine drugs.

  14. RAFT Aqueous Dispersion Polymerization of N-(2-(Methacryloyloxy)ethyl)pyrrolidone: A Convenient Low Viscosity Route to High Molecular Weight Water-Soluble Copolymers.

    Science.gov (United States)

    Cunningham, Victoria J; Derry, Matthew J; Fielding, Lee A; Musa, Osama M; Armes, Steven P

    2016-06-28

    RAFT solution polymerization of N -(2-(methacryoyloxy)ethyl)pyrrolidone (NMEP) in ethanol at 70 °C was conducted to produce a series of PNMEP homopolymers with mean degrees of polymerization (DP) varying from 31 to 467. Turbidimetry was used to assess their inverse temperature solubility behavior in dilute aqueous solution, with an LCST of approximately 55 °C being observed in the high molecular weight limit. Then a poly(glycerol monomethacylate) (PGMA) macro-CTA with a mean DP of 63 was chain-extended with NMEP using a RAFT aqueous dispersion polymerization formulation at 70 °C. The target PNMEP DP was systematically varied from 100 up to 6000 to generate a series of PGMA 63 -PNMEP x diblock copolymers. High conversions (≥92%) could be achieved when targeting up to x = 5000. GPC analysis confirmed high blocking efficiencies and a linear evolution in M n with increasing PNMEP DP. A gradual increase in M w / M n was also observed when targeting higher DPs. However, this problem could be minimized ( M w / M n RAFT aqueous dispersion polymerization of NMEP was approximately four times faster than the RAFT solution polymerization of NMEP in ethanol when targeting the same DP in each case. This is perhaps surprising because both 1 H NMR and SAXS studies indicate that the core-forming PNMEP chains remain relatively solvated at 70 °C in the latter formulation. Moreover, dissolution of the initial PGMA 63 -PNMEP x particles occurs on cooling from 70 to 20 °C as the PNMEP block passes through its LCST. Hence this RAFT aqueous dispersion polymerization formulation offers an efficient route to a high molecular weight water-soluble polymer in a rather convenient low-viscosity form. Finally, the relatively expensive PGMA macro-CTA was replaced with a poly(methacrylic acid) (PMAA) macro-CTA. High conversions were also achieved for PMAA 85 -PNMEP x diblock copolymers prepared via RAFT aqueous dispersion polymerization for x ≤ 4000. Again, better control was achieved when

  15. Cloning of soluble alkaline phosphatase cDNA and molecular basis of the polymorphic nature in alkaline phosphatase isozymes of Bombyx mori midgut.

    Science.gov (United States)

    Itoh, M; Kanamori, Y; Takao, M; Eguchi, M

    1999-02-01

    A cDNA coding for soluble type alkaline phosphatase (sALP) of Bombyx mori was isolated. Deduced amino acid sequence showed high identities to various ALPs and partial similarities to ATPase of Manduca sexta. Using this cDNA sequence as a probe, the molecular basis of electrophoretic polymorphism in sALP and membrane-bound type ALP (mALP) was studied. As for mALP, the result suggested that post-translational modification was important for the proteins to express activity and to represent their extensive polymorphic nature, whereas the magnitude of activities was mainly regulated by transcription. On the other hand, sALP zymogram showed poor polymorphism, but one exception was the null mutant, in which the sALP gene was largely lost. Interestingly, the sALP gene was shown to be transcribed into two mRNAs of different sizes, 2.0 and 2.4 Kb. In addition to the null mutant of sALP, we found a null mutant for mALP. Both of these mutants seem phenotypically silent, suggesting that the functional differentiation between these isozymes is not perfect, so that they can still work mutually and complement each other as an indispensable enzyme for B. mori.

  16. Inorganic nanomedicine--part 1.

    Science.gov (United States)

    Sekhon, Bhupinder S; Kamboj, Seema R

    2010-08-01

    Inorganic nanomedicine refers to the use of inorganic or hybrid nanomaterials and nanosized objects to achieve innovative medical breakthroughs for drug and gene discovery and delivery, discovery of biomarkers, and molecular diagnostics. Potential uses for fluorescent quantum dots include cell labeling, biosensing, in vivo imaging, bimodal magnetic-luminescent imaging, and diagnostics. Biocompatible quantum dot conjugates have been used successfully for sentinel lymph node mapping, tumor targeting, tumor angiogenesis imaging, and metastatic cell tracking. Magnetic nanowires applications include biosensing and construction of nucleic acids sensors. Magnetic cell therapy is used for the repair of blood vessels. Magnetic nanoparticles (MNPs) are important for magnetic resonance imaging, drug delivery, cell labeling, and tracking. Superparamagnetic iron oxide nanoparticles are used for hyperthermic treatment of tumors. Multifunctional MNPs applications include drug and gene delivery, medical imaging, and targeted drug delivery. MNPs could have a vital role in developing techniques to simultaneously diagnose, monitor, and treat a wide range of common diseases and injuries. From the clinical editor: This review serves as an update about the current state of inorganic nanomedicine. The use of inorganic/hybrid nanomaterials and nanosized objects has already resulted in innovative medical breakthroughs for drug/gene discovery and delivery, discovery of biomarkers and molecular diagnostics, and is likely to remain one of the most prolific fields of nanomedicine. 2010 Elsevier Inc. All rights reserved.

  17. Molecular insight into the inclusion of the dietary plant flavonol fisetin and its chromophore within a chemically modified γ-cyclodextrin: Multi-spectroscopic, molecular docking and solubility studies.

    Science.gov (United States)

    Pahari, Biswapathik; Chakraborty, Sandipan; Sengupta, Pradeep K

    2018-09-15

    We explored the encapsulation of dietary plant flavonols fisetin and its chromophore 3-hydroxyflavone, within 2-hydroxypropyl-γ-cyclodextrin (HPγ-CDx) nano-cavity in aqueous solution using multi-spectroscopic approaches and molecular docking. Upon addition of HPγ-CDx, dramatic changes occur in the intrinsic 'two color' fluorescence behavior of the fluorophores. This is manifested by significant increase in the steady state fluorescence intensities, anisotropies, average fluorescence lifetimes and rotational correlation times. Furthermore, in the CDx environment, intrinsically achiral flavonols exhibit prominent induced circular dichroism bands. These findings indicate that the flavonol molecules spontaneously enter the relatively hydrophobic, chiral environment of the HPγ-CDx nano-cavities. Molecular docking computations corroborate the spectroscopic findings, and predict selectivity in orientation of the encapsulated flavonols. HPγ-CDx inclusion increases the aqueous solubility of individual flavonols ∼100-1000 times. The present study demonstrates that the hydroxypropyl substituent in γ-CDx controls the inclusion mode of the flavonols, leading to their enhanced solubilization and altered spectral signatures. Copyright © 2018 Elsevier Ltd. All rights reserved.

  18. Effects of body fat on the associations of high-molecular-weight adiponectin, leptin and soluble leptin receptor with metabolic syndrome in Chinese.

    Directory of Open Access Journals (Sweden)

    Danxia Yu

    Full Text Available BACKGROUND: Little is known regarding the associations between high-molecular-weight (HMW- adiponectin, leptin and soluble leptin receptor (sOB-R and metabolic syndrome (MetS in Chinese. Also few studies elucidate the effects of inflammation and body fat mass on the relations. METHODS: Plasma HMW-adiponectin, leptin and sOB-R were measured among 1055 Chinese men and women (35∼54 yrs. Whole body and trunk fat mass were determined by Dual-energy X-ray absorptiometry. MetS was defined by the updated NCEP/ATPIII criterion for Asian-Americans. RESULTS: HMW-adiponectin was inversely associated with MetS in multivariate model including fat mass index (FMI, inflammatory markers, leptin and sOB-R (OR in the highest quartile= 0.30, 95%CI 0.18∼0.50, P<.0001. Plasma sOB-R was also inversely associated with MetS independent of body fatness and inflammatory markers, whereas the association was somewhat attenuated after adjusting HMW-adiponectin (OR for the highest quartile = 0.78, 95%CI 0.47∼1.32, P = 0.15. In contrast, leptin was associated with increased odds of MetS independent of inflammatory markers, HMW-adiponectin, and sOB-R (OR for the highest quartile= 2.64, 95%CI 1.35∼5.18, P = 0.006, although further adjustment for FMI abolished this association. CONCLUSIONS: HMW-adiponectin exhibited strong inverse associations with MetS independent of body composition, inflammation, leptin and sOB-R; while the associations of leptin and sOB-R were largely explained by fat mass or HMW-adiponectin, respectively.

  19. Synthesis of water-soluble, multiple functionalizable dendrons for the conversion of large dendrimers or other molecular objects into potential drug carriers.

    Science.gov (United States)

    Müller, Stephan; Schlüter, A Dieter

    2005-09-19

    The synthesis of dendrons and dendrimers which carry OEG chains and bidentate ligands and/or fluorescence tags is described. The orthogonally protected functional groups of the dendrons allow modification of the substitution pattern and attachment to larger entities. Both dendrons and dendrimers are highly water-soluble. The dendrons should have considerable potential to convert, for example, commercially available, high-generation dendrimers into water-soluble, versatile support materials for antitumor therapy.

  20. Elucidation of molecular and elementary composition of organic and inorganic substances involved in 19th century wax sculptures using an integrated analytical approach

    International Nuclear Information System (INIS)

    Regert, M.; Langlois, J.; Laval, E.; Le Ho, A.-S.; Pages-Camagna, S.

    2006-01-01

    Wax sculptures contain several materials from both organic and inorganic nature. These works of art are particularly fragile. Determining their chemical composition is thus of prime importance for their preservation. The identification of the recipes of waxy pastes used through time also provides valuable information in the field of art history. The aim of the present research was to develop a convenient analytical strategy, as non-invasive as possible, that allows to identify the wide range of materials involved in wax sculptures. A multi-step analytical methodology, based on the use of complementary techniques, either non- or micro-destructive, was elaborated. X-ray fluorescence and micro-Raman spectroscopy were used in a non-invasive way to identify inorganic pigments, opacifiers and extenders. The combination of structural and separative techniques, namely infrared spectroscopy, direct inlet electron ionisation mass spectrometry and high temperature gas chromatography, was shown to be appropriate for unravelling the precise composition of the organic substances. A micro-chemical test was also performed for the detection of starch. From this study it has been possible to elucidate the composition of the waxy pastes used by three different sculptors at the end of the 19th century. Complex and elaborated recipes, in which a large range of natural substances were combined, were highlighted

  1. Förster resonant energy transfer from an inorganic quantum well to a molecular material: Unexplored aspects, losses, and implications to applications

    International Nuclear Information System (INIS)

    Itskos, G.; Othonos, A.; Choulis, S. A.; Iliopoulos, E.

    2015-01-01

    A systematic investigation of Förster resonant energy transfer (FRET) is reported within a hybrid prototype structure based on nitride single quantum well (SQW) donors and light emitting polymer acceptors. Self-consistent Schrödinger-Poisson modeling and steady-state and time-resolved photoluminescence experiments were initially employed to investigate the influence of a wide structural parameter space on the emission quantum yield of the nitride component. The optimized SQW heterostructures were processed into hybrid structures with spin-casted overlayers of polyfluorenes. The influence of important unexplored aspects of the inorganic heterostructure such as SQW confinement, content, and doping on the dipole-dipole coupling was probed. Competing mechanisms to the FRET process associated with interfacial recombination and charge transfer have been studied and their implications to device applications exploiting FRET across heterointerfaces have been discussed

  2. Surface Chemistry and Spectroscopy of Chromium in Inorganic Oxides

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Wachs, I.E.; Schoonheydt, R.A.

    1996-01-01

    Focuses on the surface chemistry and spectroscopy of chromium in inorganic oxides. Characterization of the molecular structures of chromium; Mechanics of hydrogenation-dehydrogenation reactions; Mobility and reactivity on oxidic surfaces.

  3. Interactions of Native Cyclodextrins with Metal Ions and Inorganic Nanoparticles: Fertile Landscape for Chemistry and Materials Science.

    Science.gov (United States)

    Prochowicz, Daniel; Kornowicz, Arkadiusz; Lewiński, Janusz

    2017-11-22

    efficient host templates in the construction of nanomaterials with the desired functionality, including the first-in-class devices including sensors and memristors, are highlighted. Finally, CDs as well-known "green" molecular hosts have also been used as ideal functional molecules to improve the solubility, stability, and bioavailability of inorganic nanoparticles. In this regard, we demonstrate various strategies for the preparation of native CDs-modified inorganic nanomaterials such as metal, metal oxide, and semiconductor and magnetic nanoparticles, aiming to take advantage of both the controlled properties of the inorganic core and the controlled properties of the coating molecules. The functionalization of a CD hydrophobic cavity with an inorganic nanoparticle is very prospective for the development of novel catalytic systems and new tools for highly selective and sensitive sensing platforms for various targets.

  4. Layered inorganic solids

    Czech Academy of Sciences Publication Activity Database

    Čejka, Jiří; Morris, R. E.; Nachtigall, P.; Roth, Wieslaw Jerzy

    2014-01-01

    Roč. 43, č. 27 (2014), s. 10274-10275 ISSN 1477-9226 Institutional support: RVO:61388955 Keywords : layered inorganic solids * physical chemistry * catalysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.197, year: 2014

  5. Inorganic Coatings Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — The inorganic Coatings Lab provides expertise to Navy and Joint Service platforms acquisition IPTs to aid in materials and processing choices which balance up-front...

  6. Inorganic and geological materials

    International Nuclear Information System (INIS)

    Dinnin, J.I.

    1975-01-01

    Recently described methods for applied inorganic analysis are reviewed from an interdisciplinary standpoint. Abstracts and periodical literature up to Nov. 1974, are included for consideration. The following areas of interest are covered: general reviews of inorganic analytical techniques; analytical techniques, areas of application, and analysis of individual elements. Selected books, monographs, and review articles on the analytical chemistry of the elements are listed. (416 references.) (U.S.)

  7. Radwaste issues belong in the inorganic classroom

    International Nuclear Information System (INIS)

    Williams, D.H.

    1991-01-01

    The safe isolation of high level radioactive wastes is a matter of significant importance. This material is derived primarily from spent nuclear fuel and defense weapon production. Every element on the periodic chart is represented. The majority are metallic elements. Over the thousands of years that they are to be isolated the primary chemistry will be oxidation. The mobility and fate of particular inner and outer transition element ions become very important. For that, one must understand their hydrolytic nature, their complexing tendencies and the solubilities of various compounds. This topic could easily serve as a centerpiece for an inorganic chemistry course. At the very least, it demands the attention of every teacher of inorganic chemistry and consideration by those whose research is directed to tangible problems. The discussion includes notes on the abundance and lifetimes of particular radioisotopes. The positive student responses to this approach are also shared

  8. Organic solvent and temperature-enhanced ion chromatography-high resolution mass spectrometry for the determination of low molecular weight organic and inorganic anions

    International Nuclear Information System (INIS)

    Gilchrist, Elizabeth S.; Nesterenko, Pavel N.; Smith, Norman W.; Barron, Leon P.

    2015-01-01

    Highlights: • IC selectivity at high contents of organic solvent in eluent and elevated temperature is studied. • Solvent-enhanced IC coupled to high resolution MS is beneficial for sensitive detection of ions. • The first application of IC-HRMS to the detection of low explosives in fingermarks is shown. - Abstract: There has recently been increased interest in coupling ion chromatography (IC) to high resolution mass spectrometry (HRMS) to enable highly sensitive and selective analysis. Herein, the first comprehensive study focusing on the direct coupling of suppressed IC to HRMS without the need for post-suppressor organic solvent modification is presented. Chromatographic selectivity and added HRMS sensitivity offered by organic solvent-modified IC eluents on a modern hyper-crosslinked polymeric anion-exchange resin (IonPac AS18) are shown using isocratic eluents containing 5–50 mM hydroxide with 0–80% methanol or acetonitrile for a range of low molecular weight anions (<165 Da). Comprehensive experiments on IC thermodynamics over a temperature range between 20–45 °C with the eluent containing up to 60% of acetonitrile or methanol revealed markedly different retention behaviour and selectivity for the selected analytes on the same polymer based ion-exchange resin. Optimised sensitivity with HRMS was achieved with as low as 30–40% organic eluent content. Analytical performance characteristics are presented and compared with other IC-MS based works. This study also presents the first application of IC-HRMS to forensic detection of trace low-order anionic explosive residues in latent human fingermarks

  9. Organic solvent and temperature-enhanced ion chromatography-high resolution mass spectrometry for the determination of low molecular weight organic and inorganic anions

    Energy Technology Data Exchange (ETDEWEB)

    Gilchrist, Elizabeth S. [Analytical & Environmental Science Division, Department of Forensic & Analytical Science, King’s College London, 150 Stamford Street, London, SE1 9NH (United Kingdom); Nesterenko, Pavel N. [Australian Centre for Research on Separation Science, School of Physical Sciences, University of Tasmania, Private Bag 75, Hobart 7001 (Australia); Smith, Norman W. [Analytical & Environmental Science Division, Department of Forensic & Analytical Science, King’s College London, 150 Stamford Street, London, SE1 9NH (United Kingdom); Barron, Leon P., E-mail: leon.barron@kcl.ac.uk [Analytical & Environmental Science Division, Department of Forensic & Analytical Science, King’s College London, 150 Stamford Street, London, SE1 9NH (United Kingdom)

    2015-03-20

    Highlights: • IC selectivity at high contents of organic solvent in eluent and elevated temperature is studied. • Solvent-enhanced IC coupled to high resolution MS is beneficial for sensitive detection of ions. • The first application of IC-HRMS to the detection of low explosives in fingermarks is shown. - Abstract: There has recently been increased interest in coupling ion chromatography (IC) to high resolution mass spectrometry (HRMS) to enable highly sensitive and selective analysis. Herein, the first comprehensive study focusing on the direct coupling of suppressed IC to HRMS without the need for post-suppressor organic solvent modification is presented. Chromatographic selectivity and added HRMS sensitivity offered by organic solvent-modified IC eluents on a modern hyper-crosslinked polymeric anion-exchange resin (IonPac AS18) are shown using isocratic eluents containing 5–50 mM hydroxide with 0–80% methanol or acetonitrile for a range of low molecular weight anions (<165 Da). Comprehensive experiments on IC thermodynamics over a temperature range between 20–45 °C with the eluent containing up to 60% of acetonitrile or methanol revealed markedly different retention behaviour and selectivity for the selected analytes on the same polymer based ion-exchange resin. Optimised sensitivity with HRMS was achieved with as low as 30–40% organic eluent content. Analytical performance characteristics are presented and compared with other IC-MS based works. This study also presents the first application of IC-HRMS to forensic detection of trace low-order anionic explosive residues in latent human fingermarks.

  10. Immobilization of inorganic pyrophosphatase on nanodiamond particles retaining its high enzymatic activity.

    Science.gov (United States)

    Rodina, Elena V; Valueva, Anastasiya V; Yakovlev, Ruslan Yu; Vorobyeva, Nataliya N; Kulakova, Inna I; Lisichkin, Georgy V; Leonidov, Nikolay B

    2015-12-21

    Nanodiamond (ND) particles are popular platforms for the immobilization of molecular species. In the present research, enzyme Escherichia coli inorganic pyrophosphatase (PPase) was immobilized on detonation ND through covalent or noncovalent bonding and its enzymatic activity was characterized. Factors affecting adsorption of PPase such as ND size and surface chemistry were studied. The obtained material is a submicron size association of ND particles and protein molecules in approximately equal amounts. Both covalently and noncovalently immobilized PPase retains a significant enzymatic activity (up to 95% of its soluble form) as well as thermostability. The obtained hybrid material has a very high enzyme loading capacity (∼1 mg mg(-1)) and may be considered as a promising delivery system of biologically active proteinaceous substances, particularly in the treatment of diseases such as calcium pyrophosphate crystal deposition disease and related pathologies. They can also be used as recoverable heterogeneous catalysts in the traditional uses of PPase.

  11. Indication of critical micelle concentration of nonionic surfactants with large emission change using water-soluble conjugated polymer as molecular light switch

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Lilin, E-mail: sunlilin126@126.com [Anhui Key Laboratory of Chemo-Biosensing, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000 (China); Hao, Dan; Zhang, Ping; Qian, Zhangsheng; Shen, Weili [Anhui Key Laboratory of Chemo-Biosensing, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000 (China); Shao, Taili [Anhui Key Laboratory of Chemo-Biosensing, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000 (China); Department of Pharmacy, Wannan Medical College, Wuhu 241000 (China); Zhu, Changqing, E-mail: zhucq@mail.ahnu.edu.cn [Anhui Key Laboratory of Chemo-Biosensing, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000 (China)

    2013-02-15

    A new near-infrared water-soluble conjugated polymer, i.e. poly [2,5-di (propyloxysulfonate)-1,4-phenylene-ethynylene-9,10-anthrylene] (PPEASO3) was synthesized to investigate its interaction with surfactants. It was found that PPEASO3 has only a weak fluorescence emission at about 670 nm due to its self-aggregation in water and in aqueous solution containing a low concentration of nonionic surfactants, i.e. below their critical micelle concentration (CMC). However, a dramatic fluorescence enhancement with a large emission blue-shift (>40 nm) was found once the concentration of nonionic surfactants reached the CMC (especially for Triton X-100). An orange fluorescence could be observed even with naked-eyes under UV-lamp, which gave a direct indication for the micelle forming process and provided a simple method for the CMC determination of the nonionic surfactants. The CMC values determined by this method were in good agreement with those obtained by other techniques. The dramatic emission change observed could be ascribed to the intensive hydrophobic interaction between PPEASO3 and surfactants micelle, which greatly disrupts the aggregation of the polymer and increase the fluorescence efficiency of PPEASO3. Highlights: Black-Right-Pointing-Pointer Investigated the interaction of a new water-soluble conjugated polymer with surfactants. Black-Right-Pointing-Pointer The dramatic fluorescence enhancement and emission blue-shift were observed at the CMC. Black-Right-Pointing-Pointer The obvious emission color change could be observed with naked-eyes under UV-lamp. Black-Right-Pointing-Pointer Gave a direct indication for the micelle forming process. Black-Right-Pointing-Pointer Provided a simple method for the CMC determination of the nonionic surfactants.

  12. Inorganic UV filters

    Directory of Open Access Journals (Sweden)

    Eloísa Berbel Manaia

    2013-06-01

    Full Text Available Nowadays, concern over skin cancer has been growing more and more, especially in tropical countries where the incidence of UVA/B radiation is higher. The correct use of sunscreen is the most efficient way to prevent the development of this disease. The ingredients of sunscreen can be organic and/or inorganic sun filters. Inorganic filters present some advantages over organic filters, such as photostability, non-irritability and broad spectrum protection. Nevertheless, inorganic filters have a whitening effect in sunscreen formulations owing to the high refractive index, decreasing their esthetic appeal. Many techniques have been developed to overcome this problem and among them, the use of nanotechnology stands out. The estimated amount of nanomaterial in use must increase from 2000 tons in 2004 to a projected 58000 tons in 2020. In this context, this article aims to analyze critically both the different features of the production of inorganic filters (synthesis routes proposed in recent years and the permeability, the safety and other characteristics of the new generation of inorganic filters.

  13. Gas solubilities widespread applications

    CERN Document Server

    Gerrard, William

    1980-01-01

    Gas Solubilities: Widespread Applications discusses several topics concerning the various applications of gas solubilities. The first chapter of the book reviews Henr's law, while the second chapter covers the effect of temperature on gas solubility. The third chapter discusses the various gases used by Horiuti, and the following chapters evaluate the data on sulfur dioxide, chlorine data, and solubility data for hydrogen sulfide. Chapter 7 concerns itself with solubility of radon, thoron, and actinon. Chapter 8 tackles the solubilities of diborane and the gaseous hydrides of groups IV, V, and

  14. Pure Phase Solubility Limits: LANL

    International Nuclear Information System (INIS)

    C. Stockman

    2001-01-01

    , complex stability constants, and redox potentials for radionuclides in different oxidation states, form the underlying database to be used for those calculations. The potentially low solubilities of many radionuclides in natural waters constitute the first barrier for their migration from the repository into the environment. Evaluation of this effect requires a knowledge of the site-specific water chemistry and the expected spatial and temporal ranges of its variability. Quantitative determinations of radionuclide solubility in waters within the range of chemistry must be made. Speciation and molecular complexation must be ascertained to interpret and apply solubility results. The solubilities thus determined can be used to assess the effectiveness of solubility in limiting radionuclide migration. These solubilities can also be used to evaluate the effectiveness of other retardation processes expected to occur once dissolution of the source material and migration begin. Understanding the solubility behavior of radionuclides will assist in designing valuable sorption experiments that must be conducted below the solubility limit since only soluble species participate in surface reactions and sorption processes. The present strategy for radionuclide solubility tasks has been to provide a solubility model from bulk-experiments that attempt to bracket the estimate made for this Analysis and Modeling Report (AMR) of water conditions on site. The long-term goal must be to develop a thermodynamic database for solution speciation and solid-state determination as a prerequisite for transport calculations and interpretation of empirical solubility data. The model has to be self-consistent and tested against known solubility studies in order to predict radionuclide solubilities over the continuous distribution ranges of potential water compositions for performance assessment of the site. Solubility studies upper limits for radionuclide concentrations in natural waters. The

  15. Pure Phase Solubility Limits: LANL

    Energy Technology Data Exchange (ETDEWEB)

    C. Stockman

    2001-01-26

    products, complex stability constants, and redox potentials for radionuclides in different oxidation states, form the underlying database to be used for those calculations. The potentially low solubilities of many radionuclides in natural waters constitute the first barrier for their migration from the repository into the environment. Evaluation of this effect requires a knowledge of the site-specific water chemistry and the expected spatial and temporal ranges of its variability. Quantitative determinations of radionuclide solubility in waters within the range of chemistry must be made. Speciation and molecular complexation must be ascertained to interpret and apply solubility results. The solubilities thus determined can be used to assess the effectiveness of solubility in limiting radionuclide migration. These solubilities can also be used to evaluate the effectiveness of other retardation processes expected to occur once dissolution of the source material and migration begin. Understanding the solubility behavior of radionuclides will assist in designing valuable sorption experiments that must be conducted below the solubility limit since only soluble species participate in surface reactions and sorption processes. The present strategy for radionuclide solubility tasks has been to provide a solubility model from bulk-experiments that attempt to bracket the estimate made for this Analysis and Modeling Report (AMR) of water conditions on site. The long-term goal must be to develop a thermodynamic database for solution speciation and solid-state determination as a prerequisite for transport calculations and interpretation of empirical solubility data. The model has to be self-consistent and tested against known solubility studies in order to predict radionuclide solubilities over the continuous distribution ranges of potential water compositions for performance assessment of the site. Solubility studies upper limits for radionuclide concentrations in natural waters. The

  16. Thorium inorganic gels

    International Nuclear Information System (INIS)

    Genet, M.; Brandel, V.

    1988-01-01

    The optimum pH and concentration values of thorium salts and oxoacids or oxoacid salts which lead to transparent and stable inorganic gels have been determined. The isotherm drying process of the gel at 50 0 C leads successively to a partly dehydrated gel, then, to the formation of an unusual liquid phase and, finally to a dry amorphous solid phase which is still transparent. This kind of transparent inorganic gels and amorphous phase can be used as matrices for spectroscopic studies [fr

  17. Human Exposure and Health Effects of Inorganic and Elemental Mercury

    Science.gov (United States)

    Zheng, Wei

    2012-01-01

    Mercury is a toxic and non-essential metal in the human body. Mercury is ubiquitously distributed in the environment, present in natural products, and exists extensively in items encountered in daily life. There are three forms of mercury, i.e., elemental (or metallic) mercury, inorganic mercury compounds, and organic mercury compounds. This review examines the toxicity of elemental mercury and inorganic mercury compounds. Inorganic mercury compounds are water soluble with a bioavailability of 7% to 15% after ingestion; they are also irritants and cause gastrointestinal symptoms. Upon entering the body, inorganic mercury compounds are accumulated mainly in the kidneys and produce kidney damage. In contrast, human exposure to elemental mercury is mainly by inhalation, followed by rapid absorption and distribution in all major organs. Elemental mercury from ingestion is poorly absorbed with a bioavailability of less than 0.01%. The primary target organs of elemental mercury are the brain and kidney. Elemental mercury is lipid soluble and can cross the blood-brain barrier, while inorganic mercury compounds are not lipid soluble, rendering them unable to cross the blood-brain barrier. Elemental mercury may also enter the brain from the nasal cavity through the olfactory pathway. The blood mercury is a useful biomarker after short-term and high-level exposure, whereas the urine mercury is the ideal biomarker for long-term exposure to both elemental and inorganic mercury, and also as a good indicator of body burden. This review discusses the common sources of mercury exposure, skin lightening products containing mercury and mercury release from dental amalgam filling, two issues that happen in daily life, bear significant public health importance, and yet undergo extensive debate on their safety. PMID:23230464

  18. Neptunium (IV) oxalate solubility

    International Nuclear Information System (INIS)

    Luerkens, D.W.

    1983-07-01

    The equilibrium solubility of neptunium (IV) oxalate in nitric/oxalic acid solutions was determined at 22 0 C, 45 0 C, and 60 0 C. The concentrations of nitric/oxalic acid solutions represented a wide range of free oxalate ion concentration. A mathematical solubility model was developed which is based on the formation of the known complexes of neptunium (IV) oxalate. the solubility model uses a simplified concentration parameter which is proportional to the free oxalate ion concentration. The solubility model can be used to estimate the equilibrium solubility of neptunium (IV) oxalate over a wide range of oxalic and nitric acid concentrations at each temperature

  19. Inorganic pyrophosphatase in uncultivable hemotrophic mycoplasmas: identification and properties of the enzyme from Mycoplasma suis

    Directory of Open Access Journals (Sweden)

    Wittenbrink Max M

    2010-07-01

    Full Text Available Abstract Background Mycoplasma suis belongs to a group of highly specialized hemotrophic bacteria that attach to the surface of host erythrocytes. Hemotrophic mycoplasmas are uncultivable and the genomes are not sequenced so far. Therefore, there is a need for the clarification of essential metabolic pathways which could be crucial barriers for the establishment of an in vitro cultivation system for these veterinary significant bacteria. Inorganic pyrophosphatases (PPase are important enzymes that catalyze the hydrolysis of inorganic pyrophosphate PPi to inorganic phosphate Pi. PPases are essential and ubiquitous metal-dependent enzymes providing a thermodynamic pull for many biosynthetic reactions. Here, we describe the identification, recombinant production and characterization of the soluble (sPPase of Mycoplasma suis. Results Screening of genomic M. suis libraries was used to identify a gene encoding the M. suis inorganic pyrophosphatase (sPPase. The M. suis sPPase consists of 164 amino acids with a molecular mass of 20 kDa. The highest identity of 63.7% was found to the M. penetrans sPPase. The typical 13 active site residues as well as the cation binding signature could be also identified in the M. suis sPPase. The activity of the M. suis enzyme was strongly dependent on Mg2+ and significantly lower in the presence of Mn2+ and Zn2+. Addition of Ca2+ and EDTA inhibited the M. suis sPPase activity. These characteristics confirmed the affiliation of the M. suis PPase to family I soluble PPases. The highest activity was determined at pH 9.0. In M. suis the sPPase builds tetramers of 80 kDa which were detected by convalescent sera from experimentally M. suis infected pigs. Conclusion The identification and characterization of the sPPase of M. suis is an additional step towards the clarification of the metabolism of hemotrophic mycoplasmas and, thus, important for the establishment of an in vitro cultivation system. As an antigenic and conserved

  20. Inorganic nanocrystals as contrast agents in MRI:synthesis, coating and introducing multifunctionality

    Science.gov (United States)

    Sanchez-Gaytan, Brenda L.; Mieszawska, Aneta J.; Fayad, Zahi A.

    2013-01-01

    Inorganic nanocrystals have myriad applications in medicine, which includes their use as drug or gene delivery complexes, therapeutic hyperthermia agents, in diagnostic systems and as contrast agents in a wide range of medical imaging techniques. For MRI, nanocrystals can produce contrast themselves, of which iron oxides have been most extensively explored, or be given a coating that generates MR contrast, for example gold nanoparticles coated with gadolinium chelates. These MR-active nanocrystals can be used in imaging of the vasculature, liver and other organs, as well as molecular imaging, cell tracking and theranostics. Due to these exciting applications, synthesizing and rendering these nanocrystals water-soluble and biocompatible is therefore highly desirable. We will discuss aqueous phase and organic phase methods for synthesizing inorganic nanocrystals such as gold, iron oxides and quantum dots. The pros and cons of the various methods will be highlighted. We explore various methods for making nanocrystals biocompatible, i.e. directly synthesizing nanocrystals coated with biocompatible coatings, ligand substitution, amphiphile coating and embedding in carrier matrices that can be made biocompatible. Various examples will be highlighted and their applications explained. These examples signify that synthesizing biocompatible nanocrystals with controlled properties has been achieved by numerous research groups and can be applied for a wide range of applications. Therefore we expect to see reports of preclinical applications of ever more complex MRI-active nanoparticles and their wider exploitation, as well as in novel clinical settings. PMID:23303729

  1. Inorganic Constituents in Coal

    Directory of Open Access Journals (Sweden)

    Rađenović A.

    2006-02-01

    Full Text Available Coal contains not only organic matter but also small amounts of inorganic constituents. More thanone hundred different minerals and virtually every element in the periodic table have been foundin coal. Commonly found group minerals in coal are: major (quartz, pyrite, clays and carbonates,minor, and trace minerals. Coal includes a lot of elements of low mass fraction of the orderof w=0.01 or 0.001 %. They are trace elements connected with organic matter or minerals comprisedin coal. The fractions of trace elements usually decrease when the rank of coal increases.Fractions of the inorganic elements are different, depending on the coal bed and basin. A varietyof analytical methods and techniques can be used to determine the mass fractions, mode ofoccurrence, and distribution of organic constituents in coal. There are many different instrumentalmethods for analysis of coal and coal products but atomic absorption spectroscopy – AAS is theone most commonly used. Fraction and mode of occurrence are one of the main factors that haveinfluence on transformation and separation of inorganic constituents during coal conversion.Coal, as an important world energy source and component for non-fuels usage, will be continuouslyand widely used in the future due to its relatively abundant reserves. However, there is aconflict between the requirements for increased use of coal on the one hand and less pollution onthe other. It’s known that the environmental impacts, due to either coal mining or coal usage, canbe: air, water and land pollution. Although, minor components, inorganic constituents can exert asignificant influence on the economic value, utilization, and environmental impact of the coal.

  2. Inorganic Analytical Chemistry

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    The book is a treatise on inorganic analytical reactions in aqueous solution. It covers about half of the elements in the periodic table, i.e. the most important ones : H, Li, B, C, N, O, Na, Mg, Al, P, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Br, Sr, Mo, Ag, Cd, Sn, Sb, I, Ba, W,...

  3. Aerobic Biodegradation Characteristic of Different Water-Soluble Azo Dyes

    Directory of Open Access Journals (Sweden)

    Shixiong Sheng

    2017-12-01

    Full Text Available This study investigated the biodegradation performance and characteristics of Sudan I and Acid Orange 7 (AO7 to improve the biological dye removal efficiency in wastewater and optimize the treatment process. The dyes with different water-solubility and similar molecular structure were biologically treated under aerobic condition in parallel continuous-flow mixed stirred reactors. The biophase analysis using microscopic examination suggested that the removal process of the two azo dyes is different. Removal of Sudan I was through biosorption, since it easily assembled and adsorbed on the surface of zoogloea due to its insolubility, while AO7 was biodegraded incompletely and bioconverted, the AO7 molecule was decomposed to benzene series and inorganic ions, since it could reach the interior area of zoogloea due to the low oxidation-reduction potential conditions and corresponding anaerobic microorganisms. The transformation of NH3-N, SO42− together with the presence of tryptophan-like components confirm that AO7 can be decomposed to non-toxic products in an aerobic bioreactor. This study provides a theoretical basis for the use of biosorption or biodegradation mechanisms for the treatment of different azo dyes in wastewater.

  4. Inorganic chemistry and medicine

    International Nuclear Information System (INIS)

    Sadler, P.J.; Guo, Z.

    1999-01-01

    Inorganic chemistry is beginning to have a major impact on medicine. Not only does it offer the prospect of the discovery of truly novel drugs and diagnostic agents, but it promises to make a major contribution to our understanding of the mechanism of action of organic drugs too. Most of this article is concerned with recent developments in medicinal coordination chemistry. The role of metal organic compounds of platinum, titanium, ruthenium, gallium, bismuth, gold, gadolinium, technetium, silver, cobalt in the treatment or diagnosis of common diseases are briefly are examined

  5. Oral formulation strategies to improve solubility of poorly water-soluble drugs.

    Science.gov (United States)

    Singh, Abhishek; Worku, Zelalem Ayenew; Van den Mooter, Guy

    2011-10-01

    In the past two decades, there has been a spiraling increase in the complexity and specificity of drug-receptor targets. It is possible to design drugs for these diverse targets with advances in combinatorial chemistry and high throughput screening. Unfortunately, but not entirely unexpectedly, these advances have been accompanied by an increase in the structural complexity and a decrease in the solubility of the active pharmaceutical ingredient. Therefore, the importance of formulation strategies to improve the solubility of poorly water-soluble drugs is inevitable, thus making it crucial to understand and explore the recent trends. Drug delivery systems (DDS), such as solid dispersions, soluble complexes, self-emulsifying drug delivery systems (SEDDS), nanocrystals and mesoporous inorganic carriers, are discussed briefly in this review, along with examples of marketed products. This article provides the reader with a concise overview of currently relevant formulation strategies and proposes anticipated future trends. Today, the pharmaceutical industry has at its disposal a series of reliable and scalable formulation strategies for poorly soluble drugs. However, due to a lack of understanding of the basic physical chemistry behind these strategies, formulation development is still driven by trial and error.

  6. Revisiting Hansen Solubility Parameters by Including Thermodynamics

    NARCIS (Netherlands)

    Louwerse, Manuel J; Fernández-Maldonado, Ana María; Rousseau, Simon; Moreau-Masselon, Chloe; Roux, Bernard; Rothenberg, Gadi

    2017-01-01

    The Hansen solubility parameter approach is revisited by implementing the thermodynamics of dissolution and mixing. Hansen's pragmatic approach has earned its spurs in predicting solvents for polymer solutions, but for molecular solutes improvements are needed. By going into the details of entropy

  7. Inorganic Halogen Oxidizer Research

    Science.gov (United States)

    1979-02-16

    Inorganic Chemistry. Vol. 14. No. 9. 1975 Karl 0. Christ¢ (21) L. J. Basile . P. LaBonvillk. J. R. Ferraro, and J. M. Williams. J. Claim. (38) K. 0. Chriae. E... basils of a nonplanar structure of symmetry CI, are revised for six fundamental frequencies. Imalredetle either the 1:2 adduct N 2F4.2SbF5 or the 1:3...8217 in mT are 7 2.1 for B, facility. We aba thank L. K. White and R. L. Belford 111.0 for C, 55.0 for N, and 17100 for F, and the atomic aniso- trop’c

  8. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)

    Administrator

    The series of symposia on 'Modern Trends in Inorganic Chemistry' (MTIC), which began in 1985 at the Indian Association for Cultivation of Science, Calcutta has evolved into a forum for the Inorganic Chemistry fraternity of the country to meet every two years and discuss the current status and future projections of research in.

  9. Controlling Molecular Doping in Organic Semiconductors.

    Science.gov (United States)

    Jacobs, Ian E; Moulé, Adam J

    2017-11-01

    The field of organic electronics thrives on the hope of enabling low-cost, solution-processed electronic devices with mechanical, optoelectronic, and chemical properties not available from inorganic semiconductors. A key to the success of these aspirations is the ability to controllably dope organic semiconductors with high spatial resolution. Here, recent progress in molecular doping of organic semiconductors is summarized, with an emphasis on solution-processed p-type doped polymeric semiconductors. Highlighted topics include how solution-processing techniques can control the distribution, diffusion, and density of dopants within the organic semiconductor, and, in turn, affect the electronic properties of the material. Research in these areas has recently intensified, thanks to advances in chemical synthesis, improved understanding of charged states in organic materials, and a focus on relating fabrication techniques to morphology. Significant disorder in these systems, along with complex interactions between doping and film morphology, is often responsible for charge trapping and low doping efficiency. However, the strong coupling between doping, solubility, and morphology can be harnessed to control crystallinity, create doping gradients, and pattern polymers. These breakthroughs suggest a role for molecular doping not only in device function but also in fabrication-applications beyond those directly analogous to inorganic doping. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Soluble organic nutrient fluxes

    Science.gov (United States)

    Robert G. Qualls; Bruce L. Haines; Wayne Swank

    2014-01-01

    Our objectives in this study were (i) compare fluxes of the dissolved organic nutrients dissolved organic carbon (DOC), DON, and dissolved organic phosphorus (DOP) in a clearcut area and an adjacent mature reference area. (ii) determine whether concentrations of dissolved organic nutrients or inorganic nutrients were greater in clearcut areas than in reference areas,...

  11. Generalized synthesis of periodic surfactant/inorganic composite materials

    NARCIS (Netherlands)

    Huo, Q.; Margolese, D.I.; Ciesla, U.; Feng, P.; Gier, T.E.; Sieger, P.; Leon, R.; Petroff, P.M.; Schüth, F.; Stucky, G.D.

    1994-01-01

    THE recent synthesis of silica-based mesoporous materials by the cooperative assembly of periodic inorganic and surfactant-based structures has attracted great interest because it extends the range of molecular-sieve materials into the very-large-pore regime. If the synthetic approach can be

  12. Inorganic Fullerene-Like Nanoparticles and Inorganic Nanotubes

    Directory of Open Access Journals (Sweden)

    Reshef Tenne

    2014-11-01

    Full Text Available Fullerene-like nanoparticles (inorganic fullerenes; IF and nanotubes of inorganic layered compounds (inorganic nanotubes; INT combine low dimensionality and nanosize, enhancing the performance of corresponding bulk counterparts in their already known applications, as well as opening new fields of their own [1]. This issue gathers articles from the diverse area of materials science and is devoted to fullerene-like nanoparticles and nanotubes of layered sulfides and boron nitride and collects the most current results obtained at the interface between fundamental research and engineering.[...

  13. Hybrid inorganic-organic membranes: Tuning pore properties by sequential grafting

    NARCIS (Netherlands)

    Sripathi, V.G.P.

    2014-01-01

    In this thesis, the synthesis of inorganic - polymeric hybrid membranes by sequential grafting is discussed, for application in gas separation. At high pressures and temperatures, organic (olymer) membranes may suffer from swelling and plasticization. Generally, this causes a reduced molecular

  14. Applications of inorganic nanoparticles as therapeutic agents

    Science.gov (United States)

    Kim, Taeho; Hyeon, Taeghwan

    2014-01-01

    During the last decade, various functional nanostructured materials with interesting optical, magnetic, mechanical and chemical properties have been extensively applied to biomedical areas including imaging, diagnosis and therapy. In therapeutics, most research has focused on the application of nanoparticles as potential delivery vehicles for drugs and genes, because nanoparticles in the size range of 2-100 nm can interact with biological systems at the molecular level, and allow targeted delivery and passage through biological barriers. Recent investigations have even revealed that several kinds of nanomaterials are intrinsically therapeutic. Not only can they passively interact with cells, but they can also actively mediate molecular processes to regulate cell functions. This can be seen in the treatment of cancer via anti-angiogenic mechanisms as well as the treatment of neurodegenerative diseases by effectively controlling oxidative stress. This review will present recent applications of inorganic nanoparticles as therapeutic agents in the treatment of disease.

  15. Translocation of metal phosphate via the phosphate inorganic transport system of Escherichia coli

    NARCIS (Netherlands)

    van Veen, H.W; Abee, T.; Kortstee, G.J J; Konings, W.N; Zehnder, A.J B

    1994-01-01

    P-i transport via the phosphate inorganic transport system (Pit) of Escherichia coil was studied in natural and artificial membranes. P-i uptake via Pit is dependent on the presence of divalent cations, like Mg2+, Ca2+, Co2+, or Mn2+, which form a soluble, neutral metal phosphate (MeHPO(4)) complex.

  16. Cancer risk from inorganics

    International Nuclear Information System (INIS)

    Swierenga, S.H.; Gilman, J.P.; McLean, J.R.

    1987-01-01

    Inorganic metals and minerals for which there is evidence of carcinogenicity are identified. The risk of cancer from contact with them in the work place, the general environment, and under conditions of clinical (medical) exposure is discussed. The evidence indicates that minerals and metals most often influence cancer development through their action as cocarcinogens. The relationship between the physical form of mineral fibers, smoking and carcinogenic risk is emphasized. Metals are categorized as established (As, Be, Cr, Ni), suspected (Cd, Pb) and possible carcinogens, based on the existing in vitro, animal experimental and human epidemiological data. Cancer risk and possible modes of action of elements in each class are discussed. Views on mechanisms that may be responsible for the carcinogenicity of metals are updated and analysed. Some specific examples of cancer risks associated with the clinical use of potentially carcinogenic metals and from radioactive pharmaceuticals used in therapy and diagnosis are presented. Questions are raised as to the effectiveness of conventional dosimetry in accurately measuring risk from radiopharmaceuticals. 302 references

  17. Micronutrients as Impurities of Inorganic Fertilizers Marketed in Saudi Arabia

    Directory of Open Access Journals (Sweden)

    A.S. Modaihsh

    2000-06-01

    Full Text Available Inorganic fertilizers with major nutrients are likely to be contaminated with some micronutrients. Fertilizers, utilized in Saudi Arabia, were analyzed for their total and water-soluble content of Fe, Zn, Mn and Cu. They represented three categories namely: phosphatic, solid multiple nutrient fertilizers (SMNF and water-soluble multiple nutrient fertilizers (WSMF. Total iron content in examined fertilizers was higher in phosphatic fertilizers and lower in WSMF. Nevertheless, only a very small portion of the total iron content is likely to be available to plants. It was estimated, on the basis of total content, that almost 2 g of iron would be applied to soil for each added kg of phosphatic fertilizer. The highest total content of Zn was recorded for phosphatic fertilizers. The data suggested that less than half kg of Zn would be accumulated in soil if 500 kg of phosphatic fertilizers were applied in one year. This value however, fell dramatically, to one fourth of the value, when only the available forms of Zn were considered. Fertilizer content of manganese and copper were lower than both Fe and Zn. Micronutrient impurities present in inorganic fertilizers might not have an immediate influence on plant nutrition due to their lower solubility.

  18. Organic-inorganic hybrid materials as semiconducting channels in thin-film field-effect transistors

    Science.gov (United States)

    Kagan; Mitzi; Dimitrakopoulos

    1999-10-29

    Organic-inorganic hybrid materials promise both the superior carrier mobility of inorganic semiconductors and the processability of organic materials. A thin-film field-effect transistor having an organic-inorganic hybrid material as the semiconducting channel was demonstrated. Hybrids based on the perovskite structure crystallize from solution to form oriented molecular-scale composites of alternating organic and inorganic sheets. Spin-coated thin films of the semiconducting perovskite (C(6)H(5)C(2)H(4)NH(3))(2)SnI(4) form the conducting channel, with field-effect mobilities of 0.6 square centimeters per volt-second and current modulation greater than 10(4). Molecular engineering of the organic and inorganic components of the hybrids is expected to further improve device performance for low-cost thin-film transistors.

  19. Inorganic chemistry of earliest sediments

    International Nuclear Information System (INIS)

    Ochiai, E.I.

    1983-01-01

    A number of inorganic elements are now known to be essential to organisms. Chemical evolutionary processes involving carbon, hydrogen, nitrogen and oxygen have been studied intensively and extensively, but the other essential elements have been rather neglected in the studies of chemical and biological evolution. This article attempts to assess the significance of inorganic chemistry in chemical and biological evolutionary processes on the earth. Emphasis is placed on the catalytic effects of inorganic elements and compounds, and also on possible studies on the earliest sediments, especially banded iron formation and stratabound copper from the inorganic point of view in the hope of shedding some light on the evolution of the environment and the biological effects on it. (orig./WL)

  20. Essentials of inorganic materials synthesis

    CERN Document Server

    Rao, C N R

    2015-01-01

    This compact handbook describes all the important methods of synthesis employed today for synthesizing inorganic materials. Some features: Focuses on modern inorganic materials with applications in nanotechnology, energy materials, and sustainability Synthesis is a crucial component of materials science and technology; this book provides a simple introduction as well as an updated description of methods Written in a very simple style, providing references to the literature to get details of the methods of preparation when required

  1. Molecular simulations and experimental studies of solubility and diffusivity for pure and mixed gases of H2, CO2, and Ar absorbed in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]).

    Science.gov (United States)

    Shi, Wei; Sorescu, Dan C; Luebke, David R; Keller, Murphy J; Wickramanayake, Shan

    2010-05-20

    Classical molecular dynamics and Monte Carlo simulations are used to calculate the self-diffusivity and solubility of pure and mixed CO(2), H(2), and Ar gases absorbed in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf(2)N]). Overall, the computed absorption isotherms, Henry's law constants, and partial molar enthalpies for pure H(2) agree well with the experimental data obtained by Maurer et al. [J. Chem. Eng. Data 2006, 51, 1364] and the experimental values determined in this work. However, the agreement is poor between the simulations and the experimental data by Noble et al. [Ind. Eng. Chem. Res. 2008, 47, 3453] and Costa Gomes [J. Chem. Eng. Data 2007, 52, 472] at high temperatures. The computed H(2) permeability values are in good agreement with the experimental data at 313 K obtained by Luebke et al. [J. Membr. Sci. 2007, 298, 41; ibid, 2008, 322, 28], but about three times larger than the experimental value at 573 K from the same group. Our computed H(2) solubilities using different H(2) potential models have similar values and solute polarizations were found to have a negligible effect on the predicted gas solubilities for both the H(2) and Ar. The interaction between H(2) and the ionic liquid is weak, about three times smaller than between the ionic liquid and Ar and six times smaller than that of CO(2) with the ionic liquid, results that are consistent with a decreasing solubility from CO(2) to Ar and to H(2). The molar volume of the ionic liquid was found to be the determining factor for the H(2) solubility. For mixed H(2) and Ar gases, the solubilities for both solutes decrease compared to the respective pure gas solubilities. For mixed gases of CO(2) and H(2), the solubility selectivity of CO(2) over H(2) decreases from about 30 at 313 K to about 3 at 573 K. For the permeability, the simulated values for CO(2) in [hmim][Tf(2)N] are about 20-60% different than the experimental data by Luebke et al. [J. Membr

  2. In vitro dynamic solubility test: influence of various parameters.

    Science.gov (United States)

    Thélohan, S; de Meringo, A

    1994-10-01

    This article discusses the dissolution of mineral fibers in simulated physiological fluids (SPF), and the parameters that affect the solubility measurement in a dynamic test where an SPF runs through a cell containing fibers (Scholze and Conradt test). Solutions simulate either the extracellular fluid (pH 7.6) or the intracellular fluid (pH 4.5). The fibers have various chemical compositions and are either continuously drawn or processed as wool. The fiber solubility is determined by the amount of SiO2 (and occasionally other ions) released in the solution. Results are stated as percentage of the initial silica content released or as dissolution rate v in nm/day. The reproducibility of the test is higher with the less soluble fibers (10% solubility), than with highly soluble fibers (20% solubility). The influence of test parameters, including SPF, test duration, and surface area/volume (SA/V), has been studied. The pH and the inorganic buffer salts have a major influence: industrial glasswool composition is soluble at pH 7.6 but not at pH 4.5. The opposite is true for rock- (basalt) wool composition. For slightly soluble fibers, the dissolution rate v remains constant with time, whereas for highly soluble fibers, the dissolution rate decreases rapidly. The dissolution rates believed to occur are v1, initial dissolution rate, and v2, dissolution rate of the residual fibers. The SA of fibers varies with the mass of the fibers tested, or with the fiber diameter at equal mass. Volume, V, is the chosen flow rate. An increase in the SA/V ratio leads to a decrease in the dissolution rate.(ABSTRACT TRUNCATED AT 250 WORDS)

  3. Gas Permeation Characteristics across Nano-Porous Inorganic Membranes

    Directory of Open Access Journals (Sweden)

    M.R Othman, H. Mukhtar

    2012-10-01

    Full Text Available An overview of parameters affecting gas permeation in inorganic membranes is presented. These factors include membrane physical characteristics, operational parameters and gas molecular characteristics. The membrane physical characteristics include membrane materials and surface area, porosity, pore size and pore size distribution and membrane morphology. The operational parameters include feed flow rate and concentration, stage cut, temperature and pressure. The gas molecular characteristics include gas molecular weight, diameter, critical temperature, critical pressure, Lennard-Jones parameters and diffusion volumes. The current techniques of material characterization may require complementary method in describing microscopic heterogeneity of the porous ceramic media. The method to be incorporated in the future will be to apply a stochastic model and/or fractal dimension. Keywords: Inorganic membrane, surface adsorption, Knudsen diffusion, Micro-porous membrane, permeation, gas separation.

  4. Solubilities of gases in simulated Tank 241-SY-101 wastes

    International Nuclear Information System (INIS)

    Norton, J.D.; Pederson, L.R.

    1995-09-01

    Oxygen, nitrogen, hydrogen, methane, and nitrous oxide solubilities were evaluated as a function of temperature in SYl-SIM-93B, a homogeneous simulated waste mixture containing sodium hydroxide, sodium nitrite, sodium nitrate, sodium aluminate, and sodium carbonate, the principal inorganic constituents of the wastes in Tank 241-SY-101. Ammonia solubility data for this simulated waste was obtained as a function of temperature in an earlier study. The choice of a homogeneous waste mixture in this study has the advantage of eliminating complications associated with a changing electrolyte concentration as a function of temperature that would be encountered with a slurry simulant. Dissolution is one of the means by which gases may be retained in Hanford Site wastes. While models are available to estimate gas solubilities in electrolyte solutions, few data are in existence that pertain to highly concentrated, multicomponent electrolytes such as those stored in Hanford Site waste tanks

  5. Soluble CD163

    DEFF Research Database (Denmark)

    Møller, Holger J

    2012-01-01

    CD163 is an endocytic receptor for haptoglobin-hemoglobin complexes and is expressed solely on macrophages and monocytes. As a result of ectodomain shedding, the extracellular portion of CD163 circulates in blood as a soluble protein (sCD163) at 0.7-3.9 mg/l in healthy individuals. The function o...

  6. Solubility Part 1

    NARCIS (Netherlands)

    Tantra, Ratna; Bolea, Eduardo; Bouwmeester, H.; Rey-Castro, Carlos; David, C.A.A.; Dogné, Jean Michel; Laborda, Francisco; Laloy, Julie; Robinson, Kenneth N.; Undas, A.K.; Zande, van der M.

    2016-01-01

    This chapter gives an overview of different methods that can potentially be used to determine the solubility of nanomaterials. In general, the methods presented can be broadly divided into four categories: separation methods, methods to quantify free ions, methods to quantify total dissolved

  7. Solubility of 1:1 Alkali Nitrates and Chlorides in Near-Critical and Supercritical Water : 1 Alkali Nitrates and Chlorides in Near-Critical and Supercritical Water

    NARCIS (Netherlands)

    Leusbrock, Ingo; Metz, Sybrand J.; Rexwinkel, Glenn; Versteeg, Geert F.

    2009-01-01

    To increase the available data oil systems containing supercritical water and inorganic compounds, all experimental setup was designed to investigate the solubilities of inorganic compounds Ill supercritical water, In this work, three alkali chloride salts (LiCl, NaCl, KCl) and three alkali nitrate

  8. Advanced Polymeric and Organic–Inorganic Membranes for Pressure-Driven Processes

    KAUST Repository

    Le, Ngoc Lieu

    2017-02-13

    The state-of-the-art of membranes for reverse osmosis, nanofiltration, and gas separation is shortly reviewed, taking in account the most representative examples currently in application. Emphasis is also done on recent developments of advanced polymeric and organic–inorganic materials for pressure-driven processes. Many of the more recent membranes are not only polymeric but also contain an inorganic phase. Tailoring innovative materials with organic and inorganic phases coexisting in a nanoscale with multifunctionalization is an appealing approach to control at the same time diffusivity and gas solubility. Other advanced materials that are now being considered for membrane development are organic or organic–inorganic self-assemblies, metal-organic frameworks, and different forms of carbon fillers.

  9. Advanced Polymeric and Organic–Inorganic Membranes for Pressure-Driven Processes

    KAUST Repository

    Le, Ngoc Lieu; Phuoc, Duong; Nunes, Suzana Pereira

    2017-01-01

    The state-of-the-art of membranes for reverse osmosis, nanofiltration, and gas separation is shortly reviewed, taking in account the most representative examples currently in application. Emphasis is also done on recent developments of advanced polymeric and organic–inorganic materials for pressure-driven processes. Many of the more recent membranes are not only polymeric but also contain an inorganic phase. Tailoring innovative materials with organic and inorganic phases coexisting in a nanoscale with multifunctionalization is an appealing approach to control at the same time diffusivity and gas solubility. Other advanced materials that are now being considered for membrane development are organic or organic–inorganic self-assemblies, metal-organic frameworks, and different forms of carbon fillers.

  10. Molecular Characterization of a Dual Domain Carbonic Anhydrase From the Ctenidium of the Giant Clam, Tridacna squamosa, and Its Expression Levels After Light Exposure, Cellular Localization, and Possible Role in the Uptake of Exogenous Inorganic Carbon

    Directory of Open Access Journals (Sweden)

    Clarissa Z. Y. Koh

    2018-03-01

    Full Text Available A Dual-Domain Carbonic Anhydrase (DDCA had been sequenced and characterized from the ctenidia (gills of the giant clam, Tridacna squamosa, which lives in symbiosis with zooxanthellae. DDCA was expressed predominantly in the ctenidium. The complete cDNA coding sequence of DDCA from T. squamosa comprised 1,803 bp, encoding a protein of 601 amino acids and 66.7 kDa. The deduced DDCA sequence contained two distinct α-CA domains, each with a specific catalytic site. It had a high sequence similarity with tgCA from Tridacna gigas. In T. squamosa, the DDCA was localized apically in certain epithelial cells near the base of the ctenidial filament and the epithelial cells surrounding the tertiary water channels. Due to the presence of two transmembrane regions in the DDCA, one of the Zn2+-containing active sites could be located externally and the other one inside the cell. These results denote that the ctenidial DDCA was positioned to dehydrate HCO3- to CO2 in seawater, and to hydrate the CO2 that had permeated the apical membrane back to HCO3- in the cytoplasm. During insolation, the host clam needs to increase the uptake of inorganic carbon from the ambient seawater to benefit the symbiotic zooxanthellae; only then, can the symbionts conduct photosynthesis and share the photosynthates with the host. Indeed, the transcript and protein levels of DDCA/DDCA in the ctenidium of T. squamosa increased significantly after 6 and 12 h of exposure to light, respectively, denoting that DDCA could participate in the light-enhanced uptake and assimilation of exogenous inorganic carbon.

  11. Uranyl Oxalate Solubility

    Energy Technology Data Exchange (ETDEWEB)

    Leturcq, G.; Costenoble, S.; Grandjean, S. [CEA Marcoule DEN/DRCP/SCPS/LCA - BP17171 - 30207 Bagnols sur Ceze cedex (France)

    2008-07-01

    The solubility of uranyl oxalate was determined at ambient temperature by precipitation in oxalic-nitric solutions, using an initial uranyl concentration of 0.1 mol/L. Oxalic concentration varied from 0.075 to 0.3 mol/L while nitric concentration ranged between 0.75 and 3 mol/L. Dissolution tests, using complementary oxalic-nitric media, were carried out for 550 hours in order to study the kinetic to reach thermodynamic equilibrium. Similar solubility values were reached by dissolution and precipitation. Using the results, it was possible to draw the solubility surface versus oxalic and nitric concentrations and to determine both the apparent solubility constant of UO{sub 2}C{sub 2}O{sub 4}, 3H{sub 2}O (Ks) and the apparent formation constant of the first uranyl-oxalate complex UO{sub 2}C{sub 2}O{sub 4} (log {beta}1), for ionic strengths varying between 1 and 3 mol/L. Ks and log {beta}1 values were found to vary from 1.9 10{sup -8} to 9.2 10{sup -9} and from 5.95 to 6.06, respectively, when ionic strength varied from 1 to 3 mol/L. A second model may fit our data obtained at an ionic strength of 3 mol/L suggesting as reported by Moskvin et al. (1959) that no complexes are formed for [H{sup +}] at 3 M. The Ks value would then be 1.3 10{sup -8}. (authors)

  12. Argon solubility in liquid steel

    NARCIS (Netherlands)

    Boom, R; Dankert, O; Van Veen, A; Kamperman, AA

    2000-01-01

    Experiments have been performed to establish the solubility of argon in liquid interstitial-free steel. The solubility appears to be lower than 0.1 at ppb, The results are in line with argon solubilities reported in the literature on liquid iron. Semiempirical theories and calculations based on the

  13. Study on REE bound water-soluble polysaccharides in plant

    International Nuclear Information System (INIS)

    Wang Yuqi; Guo Fanqing; Xu Lei; Chen Hongmin; Sun Jingxin; Cao Guoyin

    1999-01-01

    The binding of REE with water-soluble polysaccharides (PSs) in leaves of fern Dicranopteris Dichotoma (DD) has been studied by molecular activation analysis. The cold-water-soluble and hot-water-soluble PSs in leaves of DD were obtained by using biochemical separation techniques. The PSs of non-deproteinization and deproteinization, were separated on Sephadex G-200 gel permeation chromatography. The absorption curves of elution for the PSs were obtained by colorimetry, and the proteins were detected using Coomassic brilliant G-250. Eight REEs (La, Ce, Nd, Sm, Eu, Tb, Yb and Lu) in these PSs were determined by instrumental neutron activation analysis. The results obtained show that the REEs are bound firmly with the water-soluble PSs in the plant. A measurement demonstrates that the PSs bound with REEs are mainly of smaller molecular weight (10,000 to 20,000 Dalton)

  14. Preparation of inorganic hydrophobic catalysts

    International Nuclear Information System (INIS)

    Yang, Yong; Wang, Heyi; Du, Yang

    2009-04-01

    In order to catalyse the oxidation of tritium gas, two inorganic hydrophobic catalysts are prepared. Under room temperature, the catalysed oxidation ratio of 0.3%-1% (V/V) hydrogen gas in air is higher than 95%. Pt-II inorganic hydrophobic catalysts has obviously better catalysing ability than Pt-PTFE and lower ability than Pt-SDB in H 2 -HTO isotopic exchange, because the pressure resistence of Pt-II is much higher than Pt-SDB, it can be used to the CECE cell of heavy water detritium system. (authors)

  15. Practical approaches to biological inorganic chemistry

    CERN Document Server

    Louro, Ricardo O

    2012-01-01

    The book reviews the use of spectroscopic and related methods to investigate the complex structures and mechanisms of biological inorganic systems that contain metals. Each chapter presents an overview of the technique including relevant theory, clearly explains what it is and how it works and then presents how the technique is actually used to evaluate biological structures. Practical examples and problems are included to illustrate each technique and to aid understanding. Designed for students and researchers who want to learn both the basics, and more advanced aspects of bioinorganic chemistry. It includes many colour illustrations enable easier visualization of molecular mechanisms and structures. It provides worked examples and problems that are included to illustrate and test the reader's understanding of each technique. It is written by a multi-author team who use and teach the most important techniques used today to analyse complex biological structures.

  16. Characterization of Soluble Organics in Produced Water

    Energy Technology Data Exchange (ETDEWEB)

    Bostick, D.T.

    2002-01-16

    Soluble organics in produced water and refinery effluents represent treatment problems for the petroleum industry. Neither the chemistry involved in the production of soluble organics nor the impact of these chemicals on total effluent toxicity is well understood. The U.S. Department of Energy provides funding for Oak Ridge National Laboratory (ORNL) to support a collaborative project with Shell, Chevron, Phillips, and Statoil entitled ''Petroleum and Environmental Research Forum project (PERF 9844: Manage Water-Soluble Organics in Produced Water''). The goal of this project, which involves characterization and evaluation of these water-soluble compounds, is aimed at reducing the future production of such contaminants. To determine the effect that various drilling conditions might have on water-soluble organics (WSO) content in produced water, a simulated brine water containing the principal inorganic components normally found in Gulf of Mexico (GOM) brine sources was prepared. The GOM simulant was then contacted with as-received crude oil from a deep well site to study the effects of water cut, produced-water pH, salinity, pressure, temperature, and crude oil sources on the type and content of the WSO in produced water. The identities of individual semivolatile organic compounds (SVOCs) were determined in all as-received crude and actual produced water samples using standard USEPA Method (8270C) protocol. These analyses were supplemented with the more general measurements of total petroleum hydrocarbon (TPH) content in the gas (C{sub 6}-C{sub 10}), diesel (C{sub 10}-C{sub 20}), and oil (C{sub 20}-C{sub 28}) carbon ranges as determined by both gas chromatographic (GC) and infrared (IR) analyses. An open liquid chromatographic procedure was also used to differentiate the saturated hydrocarbon, aromatic hydrocarbon, and polar components within the extractable TPH. Inorganic constituents in the produced water were analyzed by ion

  17. Hybrid molecular materials based upon organic pi-electron donors and inorganic metal complexes. Conducting salts of bis(ethylenediseleno)tetrathiafulvalene (BEST) with the octahedral anions hexacyanoferrate(III) and nitroprusside

    CERN Document Server

    Clemente-Leon, M; Galan-Mascaros, J R; Giménez-Saiz, C; Gómez-García, C J; Fabre, J M; Mousdis, G A; Papavassiliou, G C

    2002-01-01

    The synthesis, structure and physical characterization of three new radical salts formed by the organic donor bis(ethylenediseleno)tetrathiafulvalene (BEDS-TTF or BEST) and the paramagnetic hexacyanoferrate(III) anion [Fe(CN) sub 6] sup 3 sup - or the photochromic nitroprusside anion [Fe(CN) sub 5 NO] sup 2 sup - are reported: (BEST) sub 4 [Fe(CN) sub 6] (1), (BEST) sub 3 [Fe(CN) sub 6] sub 2 centre dot H sub 2 O (2) and (BEST) sub 2 [Fe(CN) sub 5 NO] (3). Salts 1 and 3 show a layered structure with alternating organic (beta-type packing) and inorganic slabs. Salt 2 shows an original interpenetrated structure probably due to the unprecedented presence of (BEST) sup 2 sup + dications. The three salts are semiconductors although salt 1 exhibits a high room temperature conductivity and a semiconducting-semiconducting transition at ca. 150 K which has been attributed to a dimerization in the organic sublattice.

  18. The Prodrug Approach: A Successful Tool for Improving Drug Solubility

    Directory of Open Access Journals (Sweden)

    Daniela Hartmann Jornada

    2015-12-01

    Full Text Available Prodrug design is a widely known molecular modification strategy that aims to optimize the physicochemical and pharmacological properties of drugs to improve their solubility and pharmacokinetic features and decrease their toxicity. A lack of solubility is one of the main obstacles to drug development. This review aims to describe recent advances in the improvement of solubility via the prodrug approach. The main chemical carriers and examples of successful strategies will be discussed, highlighting the advances of this field in the last ten years.

  19. Solid Phospholipid Dispersions for Oral Delivery of Poorly Soluble Drugs

    DEFF Research Database (Denmark)

    Fong, Sophia Yui Kau; Martins, Susana A. M.; Brandl, Martin

    2016-01-01

    Celecoxib (CXB) is a Biopharmaceutical Classification System class II drug in which its oral bioavailability is limited by poor aqueous solubility. Although a range of formulations aiming to increase the solubility of CXB have been developed, it is not completely understood, whether (1) an increase...... the importance of evaluating both, solubility and permeability, and the use of biorelevant medium for testing the candidate-enabling performance of liposomal formulations. Mechanisms at molecular level that may explain the effect of PL formulations on the permeability of CXB are also discussed....

  20. James Moir as Inorganic Chemist

    African Journals Online (AJOL)

    NICO

    KEYWORDS. Inorganic chemistry, gold, atomic theory, history of chemistry. .... Figure 2 (a) shows Moir's model for the C atom, where the black circles represent the ..... Na filled the hole in the F atom, both becoming ions even in the crystal state ...

  1. Determining Inorganic and Organic Carbon.

    Science.gov (United States)

    Koistinen, Jaana; Sjöblom, Mervi; Spilling, Kristian

    2017-11-21

    Carbon is the element which makes up the major fraction of lipids and carbohydrates, which could be used for making biofuel. It is therefore important to provide enough carbon and also follow the flow into particulate organic carbon and potential loss to dissolved organic forms of carbon. Here we present methods for determining dissolved inorganic carbon, dissolved organic carbon, and particulate organic carbon.

  2. Soluble porphyrin polymers

    Science.gov (United States)

    Gust, Jr., John Devens; Liddell, Paul Anthony

    2015-07-07

    Porphyrin polymers of Structure 1, where n is an integer (e.g., 1, 2, 3, 4, 5, or greater) ##STR00001## are synthesized by the method shown in FIGS. 2A and 2B. The porphyrin polymers of Structure 1 are soluble in organic solvents such as 2-MeTHF and the like, and can be synthesized in bulk (i.e., in processes other than electropolymerization). These porphyrin polymers have long excited state lifetimes, making the material suitable as an organic semiconductor for organic electronic devices including transistors and memories, as well as solar cells, sensors, light-emitting devices, and other opto-electronic devices.

  3. Hybrid polymer-inorganic photovoltaic cells

    NARCIS (Netherlands)

    Beek, W.J.E.; Janssen, R.A.J.; Merhari, L.

    2009-01-01

    Composite materials made from organic conjugated polymers and inorganic semiconductors such as metal oxides attract considerable interest for photovoltaic applications. Hybrid polymer-inorganic solar cells offer the opportunity to combine the beneficial properties of the two materials in charge

  4. Solubility and physical properties of sugars in pressurized water

    International Nuclear Information System (INIS)

    Saldaña, Marleny D.A.; Alvarez, Víctor H.; Haldar, Anupam

    2012-01-01

    Highlights: ► Sugar solubility in pressurized water and density at high pressures were measured. ► Glucose solubility was higher than that of lactose as predicted by their σ-profiles. ► Sugar aqueous solubility decreased with an increase in pressure from 15 to 120 bar. ► Aqueous glucose molecular packing shows high sensitivity to pressure. ► The COSMO-SAC model qualitatively predicted the sugar solubility data. - Abstract: In this study, the solubility, density, and refractive index of glucose and lactose in water as a function of temperature were measured. For solubility of sugars in pressurized water, experimental data were obtained at pressures of (15 to 120) bar and temperatures of (373 to 433) K using a dynamic flow high pressure system. Density data for aqueous sugar solutions were obtained at pressures of (1 to 300) bar and temperatures of (298 to 343) K. The refractive index of aqueous sugar solutions was obtained at 293 K and atmospheric pressure. Activity coefficient models, Van Laar and the Conductor-like Screening Model-Segment Activity Coefficient (COSMO-SAC), were used to fit and predict the experimental solubility data, respectively. The results obtained showed that the solubility of both sugars in pressurized water increase with an increase in temperature. However, with the increase of pressure from 15 bar to 120 bar, the solubility of both sugars in pressurized water decreased. The Van Laar model fit the experimental aqueous solubility data with deviations lower than 13 and 53% for glucose and lactose, respectively. The COSMO-SAC model predicted qualitatively the aqueous solubility of these sugars.

  5. Intrinsic solubility estimation and pH-solubility behavior of cosalane (NSC 658586), an extremely hydrophobic diprotic acid.

    Science.gov (United States)

    Venkatesh, S; Li, J; Xu, Y; Vishnuvajjala, R; Anderson, B D

    1996-10-01

    The selection of cosalane (NSC 658586) by the National Cancer Institute for further development as a potential drug candidate for the treatment of AIDS led to the exploration of the solubility behavior of this extremely hydrophobic drug, which has an intrinsic solubility (S0 approaching 1 ng/ml. This study describes attempts to reliably measure the intrinsic solubility of cosalane and examine its pH-solubility behavior. S0 was estimated by 5 different strategies: (a) direct determination in an aqueous suspension: (b) facilitated dissolution; (c) estimation from the octanol/water partition coefficient and octanol solubility (d) application of an empirical equation based on melting point and partition coefficient; and (e) estimation from the hydrocarbon solubility and functional group contributions for transfer from hydrocarbon to water. S0 estimates using these five methods varied over a 5 x 107-fold range Method (a) yielded the highest values, two-orders of magnitude greater than those obtained by method (b) (facilitated dissolution. 1.4 +/- 0.5 ng/ml). Method (c) gave a value 20-fold higher while that from method (d) was in fair agreement with that from facilitated dissolution. Method (e) yielded a value several orders-of-magnitude lower than other methods. A molecular dynamics simulation suggests that folded conformations not accounted for by group contributions may reduce cosalane's effective hydrophobicity. Ionic equilibria calculations for this weak diprotic acid suggested a 100-fold increase in solubility per pH unit increase. The pH-solubility profile of cosalane at 25 degrees C agreed closely with theory. These studies highlight the difficulty in determining solubility of very poorly soluble compounds and the possible advantage of the facilitated dissolution method. The diprotic nature of cosalane enabled a solubility enhancement of > 107-fold by simple pH adjustment.

  6. The molecular chemistry of diffuse and translucent clouds in the line-of-sight to Sgr B2: Absorption by simple organic and inorganic molecules in the GBT PRIMOS survey

    Science.gov (United States)

    Corby, J. F.; McGuire, B. A.; Herbst, E.; Remijan, A. J.

    2018-02-01

    The 1-50 GHz PRebiotic Interstellar MOlecular Survey (PRIMOS) contains 50 molecular absorption lines observed in clouds located in the line-of-sight to Sgr B2(N). The line-of-sight material is associated with diffuse and translucent clouds located in the Galactic center, bar, and spiral arms in the disk. We measured the column densities and estimate abundances, relative to H2, of 11 molecules and additional isotopologues observed in this material. We used absorption by optically thin transitions of c-C3H2 to estimate the molecular hydrogen columns, and argue that this method is preferable to more commonly used methods. We discuss the kinematic structure and abundance patterns of small molecules including the sulfur-bearing species CS, SO, CCS, H2CS, and HCS+; oxygen-bearing molecules OH, SiO, and H2CO; and simple hydrocarbon molecules c-C3H2, l-C3H, and l-C3H+. Finally, we discuss the implications of the observed chemistry for the structure of the gas and dust in the ISM. Highlighted results include the following. First, whereas gas in the disk has a molecular hydrogen fraction of 0.65, clouds on the outer edge of the Galactic bar and in or near the Galactic center have molecular fractions of 0.85 and >0.9, respectively. Second, we observe trends in isotope ratios with Galactocentric distance; while carbon and silicon show enhancement of the rare isotopes at low Galactocentric distances, sulfur exhibits no trend with Galactocentric distance. We also determine that the ratio of c-C3H2/c-H13CCCH provides a good estimate of the 12C/13C ratio, whereas H2CO/H213CO exhibits fractionation. Third, we report the presence of l-C3H+ in diffuse clouds for the first time. Finally, we suggest that CS has an enhanced abundance within higher density clumps of material in the disk, and therefore may be diagnostic of cloud conditions. If this holds, the diffuse clouds in the Galactic disk contain multiple embedded hyperdensities in a clumpy structure, and the density profile is not

  7. Inorganic Chemistry in Hydrogen Storage and Biomass Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Thorn, David [Los Alamos National Laboratory

    2012-06-13

    Making or breaking C-H, B-H, C-C bonds has been at the core of catalysis for many years. Making or breaking these bonds to store or recover energy presents us with fresh challenges, including how to catalyze these transformations in molecular systems that are 'tuned' to minimize energy loss and in molecular and material systems present in biomass. This talk will discuss some challenging transformations in chemical hydrogen storage, and some aspects of the inorganic chemistry we are studying in the development of catalysts for biomass utilization.

  8. Biological treatment of inorganic ion contamination including radionuclides

    International Nuclear Information System (INIS)

    Cherry, R.S.

    1997-01-01

    Microorganisms and plants are capable of a broad range of activities useful in treating inorganic contaminants in soil, groundwater, and surface runoff water Among the advantages of biological processes for this purpose are relatively low costs (related to their mild conditions) and the practicality of letting them run unattended. This talk will review both kinds of treatment chemistry that can be done biologically as well as present data from INEEL projects on bioremediation of specific elements. Biological processes can either solubilize or immobilize metals and other ions depending on the need. Uranium ions are solubilized from soil by the local bioproduction of organic acids as chelating agents, allowing removal of this ion as part of an ex-situ treatment process. Further, the microbial production of sulfuric acid can be used to solubilize Cs contamination in concrete surfaces. More usual though is the need to control metal movement in soil or water. Various metals such as Se and Cd are taken up from soil by hyper-accumulating plants, where they can be harvested in concentrated form in the leaves and stems. Excess acidity and a broad variety of toxic metals in acid rock drainage, such as Hg, Cd, Zn and others, can be removed by the production of sulfide ion in an easily fielded biological reactor which may be useful on phosphate processing runoff water contaminated with naturally occuring radioactive materials. Soluble Co, Cu, and Cd can be treated by sorption onto immobilized algae. Inorganic ions can also be directly reduced by bacteria as part of treatment, for example the conversion of soluble selenate ion to insoluble elemental selenium and the conversion of highly toxic CR(VI) to the far less soluble and less toxic Cr(III)

  9. Biological treatment of inorganic ion contamination including radionuclides

    Energy Technology Data Exchange (ETDEWEB)

    Cherry, R S [Idaho National Engineering and Environmental Lab., Idaho Falls, ID (United States)

    1997-12-01

    Microorganisms and plants are capable of a broad range of activities useful in treating inorganic contaminants in soil, groundwater, and surface runoff water Among the advantages of biological processes for this purpose are relatively low costs (related to their mild conditions) and the practicality of letting them run unattended. This talk will review both kinds of treatment chemistry that can be done biologically as well as present data from INEEL projects on bioremediation of specific elements. Biological processes can either solubilize or immobilize metals and other ions depending on the need. Uranium ions are solubilized from soil by the local bioproduction of organic acids as chelating agents, allowing removal of this ion as part of an ex-situ treatment process. Further, the microbial production of sulfuric acid can be used to solubilize Cs contamination in concrete surfaces. More usual though is the need to control metal movement in soil or water. Various metals such as Se and Cd are taken up from soil by hyper-accumulating plants, where they can be harvested in concentrated form in the leaves and stems. Excess acidity and a broad variety of toxic metals in acid rock drainage, such as Hg, Cd, Zn and others, can be removed by the production of sulfide ion in an easily fielded biological reactor which may be useful on phosphate processing runoff water contaminated with naturally occuring radioactive materials. Soluble Co, Cu, and Cd can be treated by sorption onto immobilized algae. Inorganic ions can also be directly reduced by bacteria as part of treatment, for example the conversion of soluble selenate ion to insoluble elemental selenium and the conversion of highly toxic CR(VI) to the far less soluble and less toxic Cr(III).

  10. Synthesis of Stable and Soluble One-Handed Helical Homopoly(substituted acetylenes without the Coexistence of Any Other Chiral Moieties via Two-Step Polymer Reactions in Membrane State: Molecular Design of the Starting Monomer

    Directory of Open Access Journals (Sweden)

    Takashi Kaneko

    2012-01-01

    Full Text Available A soluble and stable one-handed helical poly(substituted phenylacetylene without the coexistence of any other chiral moieties was successfully synthesized by asymmetric-induced polymerization of a chiral monomer followed by two-step polymer reactions in membrane state: (1 removing the chiral groups (desubstitution; and (2 introduction of achiral long alkyl groups at the same position as the desubstitution to enhance the solubility of the resulting one-handed helical polymer (resubstitution. The starting chiral monomer should have four characteristic substituents: (i a chiral group bonded to an easily hydrolyzed spacer group; (ii two hydroxyl groups; (iii a long rigid hydrophobic spacer between the chiral group and the polymerizing group; (iv a long achiral group near the chiral group. As spacer group a carbonate ester was selected. The two hydroxyl groups formed intramolecular hydrogen bonds stabilizing a one-handed helical structure in solution before and after the two-step polymer reactions in membrane state. The rigid long hydrophobic spacer, a phenylethynylphenyl group, enhanced the solubility of the starting polymer, and realized effective chiral induction from the chiral side groups to the main chain in the asymmetric-induced polymerization. The long alkyl group near the chiral group avoided shrinkage of the membrane and kept the reactivity of resubstitution in membrane state after removing the chiral groups. The g value (g = ([θ]/3,300/ε for the CD signal assigned to the main chain in the obtained final polymer was almost the same as that of the starting polymer in spite of the absence of any other chiral moieties. Moreover, since the one-handed helical structure was maintained by the intramolecular hydrogen bonds in a solution, direct observation of the one-handed helicity of the final homopolymer has been realized in CD for the solution for the first time.

  11. A detailed study on the interaction of a novel water-soluble glycine bridged zinc(II) Schiff base coordination polymer with BSA: synthesis, crystal structure, molecular docking and cytotoxicity effect against A549, Jurkat and Raji cell lines

    Czech Academy of Sciences Publication Activity Database

    Asadi, Z.; Golchin, M.; Eigner, Václav; Dušek, Michal; Amirghofran, Z.

    2017-01-01

    Roč. 465, Aug (2017), s. 50-60 ISSN 0020-1693 R&D Projects: GA MŠk LO1603; GA ČR(CZ) GA14-03276S EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : water-soluble * coordination polymer * BSA * docking study * anticancer activity Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.002, year: 2016

  12. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  13. Solubilisation of inorganic phosphates by inoculant strains from tropical legumes

    Directory of Open Access Journals (Sweden)

    Leandro Marciano Marra

    2011-10-01

    Full Text Available Microbial solubilisation of low soluble inorganic phosphates is an important process contributing for the phosphorus available to plants in tropical soils. This study evaluates the ability of inoculant strains for tropical legumes to solubilise inorganic phosphates of low solubility that are found in tropical soils. Seven strains of Leguminosae nodulating bacteria (LNB were compared with one another and with a non-nodulating positive control, Burkholderia cepacia (LMG 1222T. Four of the strains are used as inoculants for cowpeas (Vigna unguiculata (Bradyrhizobium sp. UFLA 03-84; Bradyrhizobium elkani INPA 03-11B and Bradyrhizobium japonicum BR3267 or for common beans (Phaseolus vulgaris (Rhizobium tropici CIAT 899T. Rhizobium etli UFLA 02-100 and Rhizobium leguminosarum 316C10a are also efficient nodulators of beans and Cupriavidus taiwanensis LMG 19424T nodulates on Mimosa pudica. Two experiments, with solid and liquid media, were performed to determine whether the strains were able to solubilise CaHPO4, Al(H2PO43 or FePO4.2H2O. On solid GELP medium none of the strains dissolved FePO4.2H2O, but LMG 1222, UFLA 03-84 and CIAT 899 solubilised CaHPO4 particularly well. These strains, along with LMG 19424 and BR 3267, were also able to increase the solubility of Al(H2PO43. In liquid GELP medium, LMG 1222 solubilised all phosphate sources, but no legume nodulating strain could increase the solubility of Al(H2PO43. The strains CIAT 899 and UFLA 02-100 were the only legume nodulating bacteria able to solubilise the other phosphate sources in liquid media, dissolving both CaHPO4 and FePO4.2H2O. There was a negative correlation between the pH of the culture medium and the concentration of soluble phosphate when the phosphorus source was CaHPO4 or FePO4.2H2O. The contribution of these strains to increasing the phosphorus nutrition of legumes and non-legume plant species should be investigated further by in vivo experiments.

  14. Relationship between the fluidity of heat-treated coals and molecular weight distributions of their solvent-soluble component; Netsushoritan no yobai kayo seibun no bunshiryo bunpu to ryudosei no kanren

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, T.; Takanohashi, T.; Iino, M. [Tohoku University, Sendai (Japan). Institute for Chemical Reaction Science; Kato, K. [Nippon Steel Co. Ltd., Tokyo (Japan); Fukada, K. [NKK Corp., Tokyo (Japan)

    1996-10-28

    In order to improve the coke manufacturing process, considerations were given on fluidity manifestation mechanism of heat-treated coals from molecular weight distributions of extracts of a solvent mixed with CS2-N-methyl-2-pyrrolidinone (CS2-NMP). The heat treatment was performed in an autoclave under nitrogen atmosphere at a rate of 3{degree}C/min to settings of 200 to 550{degree}C. The resultant heat-treated coal was quenched, and then extracted by using the CS2-NMP mixed solvent. The fluidity was measured by using a Gieseler plastometer. Maximum extraction rate and the highest fluidity are in linear relationship, which suggests that the extracts govern the fluidity. Since heavy caking coal has no difference in the extraction rates due to heat treatment temperature, and its molecular weight distribution trend does not change, the extracted components which have existed primarily in the original coal govern the fluidity. In semi-caking coals, polymer molecular components are extracted in a large quantity at the softening starting temperature, but the quantity decreases as the temperature rises. However, low-molecular components present no quantitative change, while polymer molecular components decompose, decrease in molecular weight, get solubilized with rising temperature, and act as a binder to cause a flow. 7 figs., 1 tab.

  15. The effects of disordered structure on the solubility and dissolution rates of some hydrophilic, sparingly soluble drugs.

    Science.gov (United States)

    Mosharraf, M; Sebhatu, T; Nyström, C

    1999-01-15

    The effects of experimental design on the apparent solubility of two sparingly soluble hydrophilic compounds (barium sulphate and calcium carbonate) were studied in this paper. The apparent solubility appeared to be primarily dependent on the amount of solute added to the solvent in each experiment, increasing with increased amounts. This effect seems to be due to the existence of a peripheral disordered layer. However physico-chemical methods used in the present study were not able to unambiguously verify the existence of any disorder in the solid state structure of the drugs. At higher proportions of solute to solvent, the solubility reached a plateau corresponding to the solubility of the disordered or amorphous molecular form of the material. Milling the powders caused the plateau to be reached at lower proportions of solute to solvent, since this further disordered the surface of the drug particles. It was also found that the apparent solubility of the drugs tested decreased after storage at high relative humidities. A model for describing the effects of a disordered surface layer of varying thickness and continuity on the solubility of a substance is presented. This model may be used as a method for detection of minute amount of disorder, where no other technique is capable of detecting the disordered structure. It is suggested that recrystallisation of the material occurs via slow solid-state transition at the surface of the drug particle; this would slowly reduce the apparent solubility of the substance at the plateau level to the thermodynamically stable value. A biphasic dissolution rate profile was obtained. The solubility of the disordered surface of the particles appeared to be the rate-determining factor during the initial dissolution phase, while the solubility of the crystalline core was the rate-determining factor during the final slower phase.

  16. Water-soluble dietary fibers and cardiovascular disease.

    Science.gov (United States)

    Theuwissen, Elke; Mensink, Ronald P

    2008-05-23

    One well-established way to reduce the risk of developing cardiovascular disease (CVD) is to lower serum LDL cholesterol levels by reducing saturated fat intake. However, the importance of other dietary approaches, such as increasing the intake of water-soluble dietary fibers is increasingly recognized. Well-controlled intervention studies have now shown that four major water-soluble fiber types-beta-glucan, psyllium, pectin and guar gum-effectively lower serum LDL cholesterol concentrations, without affecting HDL cholesterol or triacylglycerol concentrations. It is estimated that for each additional gram of water-soluble fiber in the diet serum total and LDL cholesterol concentrations decrease by -0.028 mmol/L and -0.029 mmol/L, respectively. Despite large differences in molecular structure, no major differences existed between the different types of water-soluble fiber, suggesting a common underlying mechanism. In this respect, it is most likely that water-soluble fibers lower the (re)absorption of in particular bile acids. As a result hepatic conversion of cholesterol into bile acids increases, which will ultimately lead to increased LDL uptake by the liver. Additionally, epidemiological studies suggest that a diet high in water-soluble fiber is inversely associated with the risk of CVD. These findings underlie current dietary recommendations to increase water-soluble fiber intake.

  17. Water-soluble vitamins.

    Science.gov (United States)

    Konings, Erik J M

    2006-01-01

    Simultaneous Determination of Vitamins.--Klejdus et al. described a simultaneous determination of 10 water- and 10 fat-soluble vitamins in pharmaceutical preparations by liquid chromatography-diode-array detection (LC-DAD). A combined isocratic and linear gradient allowed separation of vitamins in 3 distinct groups: polar, low-polar, and nonpolar. The method was applied to pharmaceutical preparations, fortified powdered drinks, and food samples, for which results were in good agreement with values claimed. Heudi et al. described a separation of 9 water-soluble vitamins by LC-UV. The method was applied for the quantification of vitamins in polyvitaminated premixes used for the fortification of infant nutrition products. The repeatability of the method was evaluated at different concentration levels and coefficients of variation were based on, for example, LC. Koontz et al. showed results of total folate concentrations measured by microbiological assay in a variety of foods. Samples were submitted in a routine manner to experienced laboratories that regularly perform folate analysis fee-for-service basis in the United States. Each laboratory reported the use of a microbiological method similar to the AOAC Official Method for the determination of folic acid. Striking was, the use of 3 different pH extraction conditions by 4 laboratories. Only one laboratory reported using a tri-enzyme extraction. Results were evaluated. Results for folic acid fortified foods had considerably lower between-laboratory variation, 9-11%, versus >45% for other foods. Mean total folate ranged from 14 to 279 microg/100 g for a mixed vegetable reference material, from 5 to 70 microg/100 g for strawberries, and from 28 to 81 microg/100 g for wholemeal flour. One should realize a large variation in results, which might be caused by slight modifications in the microbiological analysis of total folate in foods or the analysis in various (unfortified) food matrixes. Furthermore, optimal

  18. Deposition of inorganic particulate aerosols to vegetation - a new method of estimating

    International Nuclear Information System (INIS)

    Kwiecien, M.

    1997-01-01

    A new, direct method was developed for quantifying inorganic particulate aerosols trapped by the forest canopy, and for determining the resulting input of elements to a forest ecosystem. The method is based on direct measurements of only six parameters. Using this method, it is possible to determine the load of aerosols trapped by the forest canopy and deposited to leaves, as well as the load of aerosols falling to the forest floor by impaction on plants. It is also possible to estimate the aerosol input of soluble and insoluble elements to an ecosystem. With this new method it was found that the load of aerosols trapped by the canopy of a mixed forest locate din the Rybnik Coal Basin averaged 189.0 kg x ha -1 x growing season or 39.3% of the total inorganic particles reaching the ecosystem. The trapped aerosols provided 13.4 kg x ha -1 of soluble nitrogen and 0.91 kg x ha -1 of insoluble nitrogen over the growing season. At the same time, the input of soluble nitrogen from the atmosphere with rainfall to an open area averaged 13.9 kg x ha -1 , and the input of insoluble nitrogen with inorganic dusts averaged 1.4. kg x ha -1

  19. Students’ misconceptions on solubility equilibrium

    Science.gov (United States)

    Setiowati, H.; Utomo, S. B.; Ashadi

    2018-05-01

    This study investigated the students’ misconceptions of the solubility equilibrium. The participants of the study consisted of 164 students who were in the science class of second year high school. Instrument used is two-tier diagnostic test consisting of 15 items. Responses were marked and coded into four categories: understanding, misconception, understand little without misconception, and not understanding. Semi-structured interviews were carried out with 45 students according to their written responses which reflected different perspectives, to obtain a more elaborated source of data. Data collected from multiple methods were analyzed qualitatively and quantitatively. Based on the data analysis showed that the students misconceptions in all areas in solubility equilibrium. They had more misconceptions such as in the relation of solubility and solubility product, common-ion effect and pH in solubility, and precipitation concept.

  20. On the americium oxalate solubility

    International Nuclear Information System (INIS)

    Zakolupin, S.A.; Korablin, Eh.V.

    1977-01-01

    The americium oxalate solubility at different nitric (0.0-1 M) and oxalic (0.0-0.4 M) acid concentrations was investigated in the temperature range from 14 to 60 deg C. The dependence of americium oxalate solubility on the oxalic acid concentration was determined. Increasing oxalic acid concentration was found to reduce the americium oxalate solubility. The dependence of americium oxalate solubility on the oxalic acid concentration was noted to be a minimum at low acidity (0.1-0.3 M nitric acid). This is most likely due to Am(C 2 O 4 ) + , Am(C 2 O 4 ) 2 - and Am(C 2 O 4 ) 3 3- complex ion formation which have different unstability constants. On the basis of the data obtained, a preliminary estimate was carried out for the product of americium oxalate solubility in nitric acid medium (10 -29 -10 -31 ) and of the one in water (6.4x10 -20 )

  1. Biopolymer colloids for controlling and templating inorganic synthesis

    Directory of Open Access Journals (Sweden)

    Laura C. Preiss

    2014-11-01

    Full Text Available Biopolymers and biopolymer colloids can act as controlling agents and templates not only in many processes in nature, but also in a wide range of synthetic approaches. Inorganic materials can be either synthesized ex situ and later incorporated into a biopolymer structuring matrix or grown in situ in the presence of biopolymers. In this review, we focus mainly on the latter case and distinguish between the following possibilities: (i biopolymers as controlling agents of nucleation and growth of inorganic materials; (ii biopolymers as supports, either as molecular supports or as carrier particles acting as cores of core–shell structures; and (iii so-called “soft templates”, which include on one hand stabilized droplets, micelles, and vesicles, and on the other hand continuous scaffolds generated by gelling biopolymers.

  2. Energy-effective Grinding of Inorganic Solids Using Organic Additives.

    Science.gov (United States)

    Mishra, Ratan K; Weibel, Martin; Müller, Thomas; Heinz, Hendrik; Flatt, Robert J

    2017-08-09

    We present our research findings related to new formulations of the organic additives (grinding aids) needed for the efficient grinding of inorganic solids. Even though the size reduction phenomena of the inorganic solid particles in a ball mill is purely a physical process, the addition of grinding aids in milling media introduces a complex physicochemical process. In addition to further gain in productivity, the organic additive helps to reduce the energy needed for grinding, which in the case of cement clinker has major environmental implications worldwide. This is primarily due to the tremendous amounts of cement produced and almost 30% of the associated electrical energy is consumed for grinding. In this paper, we examine the question of how to optimize these grinding aids linking molecular insight into their working mechanisms, and also how to design chemical additives of improved performance for industrial comminution.

  3. Optimizing solubility and permeability of a biopharmaceutics classification system (BCS) class 4 antibiotic drug using lipophilic fragments disturbing the crystal lattice.

    Science.gov (United States)

    Tehler, Ulrika; Fagerberg, Jonas H; Svensson, Richard; Larhed, Mats; Artursson, Per; Bergström, Christel A S

    2013-03-28

    Esterification was used to simultaneously increase solubility and permeability of ciprofloxacin, a biopharmaceutics classification system (BCS) class 4 drug (low solubility/low permeability) with solid-state limited solubility. Molecular flexibility was increased to disturb the crystal lattice, lower the melting point, and thereby improve the solubility, whereas lipophilicity was increased to enhance the intestinal permeability. These structural changes resulted in BCS class 1 analogues (high solubility/high permeability) emphasizing that simple medicinal chemistry may improve both these properties.

  4. Nomenclature on an inorganic compound

    International Nuclear Information System (INIS)

    1998-10-01

    This book contains eleven chapters : which mention nomenclature of an inorganic compound with introduction and general principle on nomenclature of compound. It gives the description of grammar for nomenclature such as brackets, diagonal line, asterisk, and affix, element, atom and groups of atom, chemical formula, naming by stoichiometry, solid, neutral molecule compound, ion, a substituent, radical and name of salt, oxo acid and anion on introduction and definition of oxo acid, coordination compound like symbol of stereochemistry , boron and hydrogen compound and related compound.

  5. Investigation of Galactosylated Low Molecular Weight Chitosan ...

    African Journals Online (AJOL)

    was coupled with low molecular weight chitosan (LMWC) using carbodiimide chemistry. .... High molecular weight chitosan (minimum 85% ..... membrane permeability of drug and mutual repulsion ... coating thickness and the lower solubility of.

  6. Magnetismo Molecular (Molecular Magentism)

    Energy Technology Data Exchange (ETDEWEB)

    Reis, Mario S [Universidade Federal Fluminense, Brasil; Moreira Dos Santos, Antonio F [ORNL

    2010-07-01

    The new synthesis processes in chemistry open a new world of research, new and surprising materials never before found in nature can now be synthesized and, as a wonderful result, observed a series of physical phenomena never before imagined. Among these are many new materials the molecular magnets, the subject of this book and magnetic properties that are often reflections of the quantum behavior of these materials. Aside from the wonderful experience of exploring something new, the theoretical models that describe the behavior these magnetic materials are, in most cases, soluble analytically, which allows us to know in detail the physical mechanisms governing these materials. Still, the academic interest in parallel this subject, these materials have a number of properties that are promising to be used in technological devices, such as in computers quantum magnetic recording, magnetocaloric effect, spintronics and many other devices. This volume will journey through the world of molecular magnets, from the structural description of these materials to state of the art research.

  7. Sol-gel Process in Preparation of Organic-inorganic Hybrid Materials

    Directory of Open Access Journals (Sweden)

    Macan, J

    2008-07-01

    Full Text Available Organic-inorganic hybrid materials are a sort of nanostructured material in which the organic and inorganic phases are mixed at molecular level. The inorganic phase in hybrid materials is formed by the sol-gel process, which consists of reactions of hydrolysis and condensation of metal (usually silicon alkoxides. Flexibility of sol-gel process enables creation of hybrid materials with varying organic and inorganic phases in different ratios, and consequently fine-tuning of their properties. In order to obtain true hybrid materials, contact between the phases should be at molecular level, so phase separation between thermodynamically incompatible organic and inorganic phases has to be prevented. Phase interaction can be improved by formation of hydrogen or covalent bonds between them during preparation of hybrid materials. Covalent bond can be introduced by organically modified silicon alkoxides containing a reactive organic group (substituent capable of reacting with the organic phase. In order to obtain hybrid materials with desired structures, a detailed knowledge of hydrolysis and condensation mechanism is necessary. The choice of catalyst, whether acid or base, has the most significant influence on the structure of the inorganic phase. Other important parameters are alkoxide concentration, water: alkoxide ratio, type of alkoxide groups, solvent used, temperature, purity of chemicals used, etc. Hydrolysis and condensation of organically modified silicon alkoxides are additionally influenced by nature and size of the organic supstituent.

  8. Uranium solubility and solubility controls in selected Needle's Eye groundwaters

    International Nuclear Information System (INIS)

    Falck, W.E.; Hooker, P.J.

    1991-01-01

    The solubility control of uranium in selected groundwater samples from the cliff and sediments at the Needle's Eye natural analogue site is investigated using the speciation code PHREEQE and the CHEMVAL thermodynamic database (release 3). Alkali-earth bearing uranyl carbonate secondary minerals are likely to exert influence on the solubility . Other candidates are UO 2 and arsenates, depending on the prevailing redox conditions. In the absence of literature data, solubility products for important arsenates have been estimated from analogy with other arsenates and phosphates. Phosphates themselves are unlikely to exert control owing to their comparatively high solubilities. The influence of seawater flooding into the sediments is also discussed. The importance of uranyl arsenates in the retardation of uranium in shallow sediments has been demonstrated in theory, but there are some significant gaps in the thermodynamic databases used. (author)

  9. Analysis of vanadium slags, roasted and leached products. Determination of contents of total vanadium, chromium, sodium, and soluble vanadium

    International Nuclear Information System (INIS)

    Hasek, Z.

    1975-01-01

    Accurate, rapid and simple methods were elaborated of determining total vanadium, chromium, and sodium in vanadium slags, and in roasted and leached products in one sample batch. The analysis was conducted in a teflon vial using inorganic acids. A method od determining soluble vanadium in similar materials was also elaborated and verified. (B.S.)

  10. Noble gases solubility in water

    International Nuclear Information System (INIS)

    Crovetto, Rosa; Fernandez Prini, Roberto.

    1980-07-01

    The available experimental data of solubility of noble gases in water for temperatures smaller than 330 0 C have been critically surveyed. Due to the unique structure of the solvent, the solubility of noble gases in water decreases with temperature passing through a temperature of minimum solubility which is different for each gas, and then increases at higher temperatures. As aresult of the analysis of the experimental data and of the features of the solute-solvent interaction, a generalized equation is proposed which enables thecalculation of Henry's coefficient at different temperatures for all noble gases. (author) [es

  11. Inorganic Metal Oxide/Organic Polymer Nanocomposites And Method Thereof

    Science.gov (United States)

    Gash, Alexander E.; Satcher, Joe H.; Simpson, Randy

    2004-11-16

    A synthetic method for preparation of hybrid inorganic/organic energetic nanocomposites is disclosed herein. The method employs the use of stable metal in organic salts and organic solvents as well as an organic polymer with good solubility in the solvent system to produce novel nanocomposite energetic materials. In addition, fuel metal powders (particularly those that are oxophilic) can be incorporated into composition. This material has been characterized by thermal methods, energy-filtered transmission electron microscopy (EFTEM), N.sub.2 adsoprtion/desorption methods, and Fourier-Transform (FT-IR) spectroscopy. According to these characterization methods the organic polymer phase fills the nanopores of the material, providing superb mixing of the component phases in the energetic nanocomposite.

  12. Preparation of alumina microspheres. Its application as in inorganic exchanger

    Energy Technology Data Exchange (ETDEWEB)

    Santos, W.R. dos; Abrao, A [Instituto de Pesquisas Energeticas e Nucleares, Sao Paulo (Brazil). Centro de Engenharia Quimica

    1980-01-01

    Inorganic exchangers are widely used for adsorption and column partition chromatography. The main difficulty of using commercial alumina (in powder) for column chromatography is related to its packing, and the operations through the column become diffcult and time-consuming; also it turns to be virtually impossible to use large dimension columns. In order to eliminate these problems, a process for the preparation of alumina microspheres was developed as an adaptation of a similar process used to prepare nuclear fuel microspheres (UO/sub 2/, ThO/sub 2/). The flowsheet of this process is presented together with the analytical results of sphericity after calcination, granulometry, density and characterization by X-ray diffractometry. Solubility tests showed that the so-prepared microspheres are well resistant to strong acids and bases; retention tests showed their efficiency, mainly to copper.

  13. Crystal orientations in nacreous layers of organic-inorganic biocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung Woo, E-mail: jacklee@kaist.ac.kr [Department of Chemical and Biomolecular Engineering, KAIST, Daejeon (Korea, Republic of)

    2009-09-15

    Abalone shell comprises a bio-composite material, combining the properties of inorganic calcite intergrown with organic nacre. This paper reports about the microstructure of this composite. By examining the Kikuchi patterns obtained for nacre (Haliotis discus hannai) using transmission electron microscopy, we have shown that the tiles within nacre have specific orientations. The stereographic projection spheres for the tiles of nacre can be divided into two main types, namely a right oriented region and a left oriented region with respect to the c axis as a reference plane (001). The cluster character of nacre can be explained in terms of the growth mechanism of the 'Christmas tree' pattern. The orientation of the c-axis in the nacreous layer is elucidated for the first time. We demonstrate the use of the soluble protein obtained from the tiles of nacre in in vitro calcium carbonate crystallization.

  14. Crystal orientations in nacreous layers of organic-inorganic biocomposites

    International Nuclear Information System (INIS)

    Lee, Seung Woo

    2009-01-01

    Abalone shell comprises a bio-composite material, combining the properties of inorganic calcite intergrown with organic nacre. This paper reports about the microstructure of this composite. By examining the Kikuchi patterns obtained for nacre (Haliotis discus hannai) using transmission electron microscopy, we have shown that the tiles within nacre have specific orientations. The stereographic projection spheres for the tiles of nacre can be divided into two main types, namely a right oriented region and a left oriented region with respect to the c axis as a reference plane (001). The cluster character of nacre can be explained in terms of the growth mechanism of the 'Christmas tree' pattern. The orientation of the c-axis in the nacreous layer is elucidated for the first time. We demonstrate the use of the soluble protein obtained from the tiles of nacre in in vitro calcium carbonate crystallization.

  15. Contribution of fish to the marine inorganic carbon cycle.

    Science.gov (United States)

    Wilson, R W; Millero, F J; Taylor, J R; Walsh, P J; Christensen, V; Jennings, S; Grosell, M

    2009-01-16

    Oceanic production of calcium carbonate is conventionally attributed to marine plankton (coccolithophores and foraminifera). Here we report that marine fish produce precipitated carbonates within their intestines and excrete these at high rates. When combined with estimates of global fish biomass, this suggests that marine fish contribute 3 to 15% of total oceanic carbonate production. Fish carbonates have a higher magnesium content and solubility than traditional sources, yielding faster dissolution with depth. This may explain up to a quarter of the increase in titratable alkalinity within 1000 meters of the ocean surface, a controversial phenomenon that has puzzled oceanographers for decades. We also predict that fish carbonate production may rise in response to future environmental changes in carbon dioxide, and thus become an increasingly important component of the inorganic carbon cycle.

  16. Heat-resistant inorganic binders.

    Directory of Open Access Journals (Sweden)

    KUDRYAVTSEV Pavel Gennadievich,

    2017-04-01

    Full Text Available The authors consider some aspects of production of inorganic heat-resistant composite materials in which new classes of inorganic binders - the basic salts of various metals – are applied. The possibility to use hydroxochlorides and hydroxonitrates of aluminum, zirconium, chromium and a number of other metals as the binder has been shown. The main products of the thermal decomposition of all types of binders discussed in this paper are nano-dispersed highly refractory oxides. Increased pressure in the manufacture of these materials shifts the position of the minimum of the dependence «production strength – production temperature» in the direction of low temperatures. This effect is caused by decreased film thickness of the binder located between filler particles and hence by increased rate of transfer of the matter to the interface and by facilitated sintering process. Materials based on the systems containing chromium and some other elements in transitional oxidation states are colour. For this reason, they have the worst thermal conductivity under the same heat resistance compared to colorless materials.

  17. Investigations of inorganic and hybrid inorganic-organic nanostructures

    Science.gov (United States)

    Kam, Kinson Chihang

    This thesis focuses on the exploratory synthesis and characterization of inorganic and hybrid inorganic-organic nanomaterials. In particular, nanostructures of semiconducting nitrides and oxides, and hybrid systems of nanowire-polymer composites and framework materials, are investigated. These materials are characterized by a variety of techniques for structure, composition, morphology, surface area, optical properties, and electrical properties. In the study of inorganic nanomaterials, gallium nitride (GaN), indium oxide (In2O3), and vanadium dioxide (VO2) nanostructures were synthesized using different strategies and their physical properties were examined. GaN nanostructures were obtained from various synthetic routes. Solid-state ammonolysis of metastable gamma-Ga2O 3 nanoparticles was found to be particularly successful; they achieved high surface areas and photoluminescent study showed a blue shift in emission as a result of surface and size defects. Similarly, In2O3 nanostructures were obtained by carbon-assisted solid-state syntheses. The sub-oxidic species, which are generated via a self-catalyzed vapor-liquid-solid mechanism, resulted in 1D nanostructures including nanowires, nanotrees, and nanobouquets upon oxidation. On the other hand, hydrothermal methods were used to obtain VO2 nanorods. After post-thermal treatment, infrared spectroscopy demonstrated that these nanorods exhibit a thermochromic transition with temperature that is higher by ˜10°C compared to the parent material. The thermochromic behavior indicated a semiconductor-to-metal transition associated with a structural transformation from monoclinic to rutile. The hybrid systems, on the other hand, enabled their properties to be tunable. In nanowire-polymer composites, zinc oxide (ZnO) and silver (Ag) nanowires were synthesized and incorporated into polyaniline (PANI) and polypyrrole (PPy) via in-situ and ex-situ polymerization method. The electrical properties of these composites are

  18. Inorganic treatments for the consolidation and protection of stone artefacts

    Directory of Open Access Journals (Sweden)

    Mauro Matteini

    2008-04-01

    Full Text Available Consolidation and protection are two of the principal kinds of treatments through which the decay of old statues, stone facades, plasters and mural paintings caused by both natural atmospheric agents and, above all in the last five decades, by atmospheric pollution, is faced. The most traditional approach has been and is mainly based on the use of organic polymeric materials. They offer the advantage of easy application procedures and the possibility to obtain, at short times, very satisfying results. Different is their behaviour at long times. Some drawbacks come out over time both under the esthetical point of view as well as to the durability, compatibility and efficacy. Particularly critical is the situation when porous materials and soluble salts - gypsum above all - are simultaneously present. In such a situation inorganic treatments demonstrate to be much more appropriate. They assure durable and compatible results. In the present paper two of the most efficient and appropriate inorganic methods are reviewed in detail: the barium hydroxide method, both as desulfating and consolidating agent, and the ammonium oxalate method as passivating agent, consolidant and as a treatment capable of improving the natural colour contrast of the stone, when it is lost due to decay processes.

  19. Inorganic photovoltaic devices fabricated using nanocrystal spray deposition.

    Science.gov (United States)

    Foos, Edward E; Yoon, Woojun; Lumb, Matthew P; Tischler, Joseph G; Townsend, Troy K

    2013-09-25

    Soluble inorganic nanocrystals offer a potential route to the fabrication of all-inorganic devices using solution deposition techniques. Spray processing offers several advantages over the more common spin- and dip-coating procedures, including reduced material loss during fabrication, higher sample throughput, and deposition over a larger area. The primary difference observed, however, is an overall increase in the film roughness. In an attempt to quantify the impact of this morphology change on the devices, we compare the overall performance of spray-deposited versus spin-coated CdTe-based Schottky junction solar cells and model their dark current-voltage characteristics. Spray deposition of the active layer results in a power conversion efficiency of 2.3 ± 0.3% with a fill factor of 45.7 ± 3.4%, Voc of 0.39 ± 0.06 V, and Jsc of 13.3 ± 3.0 mA/cm(2) under one sun illumination.

  20. Potential Role of Inorganic Confined Environments in Prebiotic Phosphorylation.

    Science.gov (United States)

    Dass, Avinash Vicholous; Jaber, Maguy; Brack, André; Foucher, Frédéric; Kee, Terence P; Georgelin, Thomas; Westall, Frances

    2018-03-05

    A concise outlook on the potential role of confinement in phosphorylation and phosphate condensation pertaining to prebiotic chemistry is presented. Inorganic confinement is a relatively uncharted domain in studies concerning prebiotic chemistry, and even more so in terms of experimentation. However, molecular crowding within confined dimensions is central to the functioning of contemporary biology. There are numerous advantages to confined environments and an attempt to highlight this fact, within this article, has been undertaken, keeping in context the limitations of aqueous phase chemistry in phosphorylation and, to a certain extent, traditional approaches in prebiotic chemistry.

  1. A Soluble, Folded Protein without Charged Amino Acid Residues

    DEFF Research Database (Denmark)

    Højgaard, Casper; Kofoed, Christian; Espersen, Roall

    2016-01-01

    Charges are considered an integral part of protein structure and function, enhancing solubility and providing specificity in molecular interactions. We wished to investigate whether charged amino acids are indeed required for protein biogenesis and whether a protein completely free of titratable...... side chains can maintain solubility, stability, and function. As a model, we used a cellulose-binding domain from Cellulomonas fimi, which, among proteins of more than 100 amino acids, presently is the least charged in the Protein Data Bank, with a total of only four titratable residues. We find...

  2. Medicinal Uses of Inorganic Compounds - 2

    Indian Academy of Sciences (India)

    In the first part of this article, we described medicinal uses of inorganic compounds relating to cancer care, infection and diabetic control, neurological, cardiovascular and in- flammatory diseases. This article contains further infor- mation on the medicinal uses of inorganic compounds as therapeutic and diagnostic in ...

  3. Recent Advances in Bio-inorganic Chemistry

    Indian Academy of Sciences (India)

    Unknown

    Bio-inorganic chemistry has developed rapidly in recent years. A number of laboratories in India have made significant contributions to this area. The motivation in bringing out this special issue on Bio-inorganic. Chemistry is to highlight the recent work emerging from India in this important and fascinating interdisci-.

  4. Attachment of inorganic moieties onto aliphatic polyurethanes

    Directory of Open Access Journals (Sweden)

    Eliane Ayres

    2007-06-01

    Full Text Available Polyurethanes have been used in a series of applications due basically to their versatility in terms of controlling the behavior by altering basically the type of reagents used. However, for more specific and advanced applications, such as in membranes, biomaterials and sensors, well-organized and defined chemical functionalities are necessary. In this work, inorganic functionalities were incorporated into aliphatic polyurethanes (PU having different macromolecular architectures. Polyurethanes were synthesized using a polyether diol and dicyclohexylmethane 4,4' diisocyanate (H12-MDI. Polyurethanes having carboxylic acid groups were also produced by introducing 2,2- bis (hydroxymethyl propionic acid in the polymerization process. Inorganic functionalities were inserted into polyurethanes by reacting isocyanate end capped chains with aminopropyltriethoxysilane followed by tetraethoxysilane. PU having carboxylic acid groups yielded transparent samples after the incorporation of inorganic entities, as an evidence of smaller and better dispersed inorganic entities in the polymer network. FTIR and swelling measurements showed that polyurethanes having carboxylic acid groups had inorganic domains less packed, condensed and cross-linked when compared to polyurethanes with no carboxylic acid groups. Results also suggested that the progressive incorporation of inorganic moieties in both types of polyurethanes occurred in regions previously activated with inorganic functionalities, instead of by the creation of new domains. The temperatures of thermal decomposition and glass transition were also shifted to higher temperatures when inorganic functionalities were incorporated into polyurethanes.

  5. Uptake of inorganic contaminants by pteridophytes

    International Nuclear Information System (INIS)

    Zheng Jiemin; Chen Ziyuan; Tang Shirong; Guangzhou Univ., Guangzhou; Ding Bingyang

    2005-01-01

    The review covers results at home and abroad in terms of uptake of inorganic contaminants by pteridophytes, and suggests pteridophytes' significance in phytoremediation; the mechanisms related to uptake of inorganic contaminants by pteridophytes and some methods and means used for research on the mechanism are also introduced; the authors' viewpoints on future development trends are presented in this paper. (authors)

  6. Ultrasound exfoliation of inorganic analogues of graphene

    Czech Academy of Sciences Publication Activity Database

    Štengl, Václav; Henych, Jiří; Slušná, Michaela; Ecorchard, Petra

    2014-01-01

    Roč. 9, APR (2014), s. 1-14 ISSN 1556-276X R&D Projects: GA ČR(CZ) GA14-05146S Institutional support: RVO:61388980 Keywords : Ultrasound * Exfoliation * Graphene inorganic analogues Subject RIV: CA - Inorganic Chemistry Impact factor: 2.779, year: 2014

  7. Atmospheric processing of combustion aerosols as a source of soluble iron to the open ocean

    OpenAIRE

    伊藤, 彰記; ITO, Akinori

    2015-01-01

    The majority of bioavailable iron (Fe) from the atmosphere is delivered from arid and semiarid regions to the oceans because the global deposition of iron from combustion sources is small compared with that from mineral dust. Atmospheric processing of mineral aerosols by inorganic and organic acids from anthropogenic and natural sources has been shown to increase the iron solubility of soils (initially < 0.5%) up to about 10%. On the other hand, atmospheric observations have shown that iron i...

  8. Effects in the solubility of CaCO3: experimental study and model description.

    OpenAIRE

    Coto, Baudilio; Martos, M. Carmen; Peña, José L.; Rodríguez, Rosalía; Pastor, Gabriel

    2012-01-01

    Combustibles fósiles Crude oil is usually co-produced with reservoir water, with increasing content in the production fluid along field life. Changes in temperature, pressure, and/or chemical composition may cause significant precipitation of inorganic salts (¿scales¿) during production. Therefore, the knowledge of the influence that different variables may have on salt solubility is critical to anticipate or identify potential flow assurance problems related to scales. The pre...

  9. Electrical properties of molecular crystals

    International Nuclear Information System (INIS)

    Barraud, A.

    1968-01-01

    This literature survey summarizes the electrical properties of molecular crystals: molecular crystal structure, transport and excitation mechanisms of charge-carriers, and differences compared to inorganic semi-conductors. The main results concerning the electrical conductivity of the most-studied molecular crystals are presented, together with the optical and photo-electrical properties of these crystals. Finally the different types of electrical measurements used are reviewed, as well as the limits of each method. (author) [fr

  10. Development of cement material using inorganic additives

    International Nuclear Information System (INIS)

    Toyohara, Masumitsu; Satou, Tatsuaki; Wada, Mikio; Ishii, Tomoharu; Matsuo, Kazuaki.

    1997-01-01

    Inorganic admixtures to enhance the fluidity of cement material was developed. These admixtures turned into easy to immobilize the miscellaneous radioactive waste using cement material. It was found that the ζ potential of cement particles was directly proportional to the content of the inorganic admixtures in cement paste and the particles of cement were dispersed at the high ζ potential. The condensed sodium phosphate, which was the main component of the inorganic admixtures, retarded the dissolution of Ca 2+ ion from the cement, and generated the colloids by incorporating dissolved Ca 2+ ion. The cement material containing the inorganic admixtures was found to have the same mechanical strength and adsorption potential of radionuclides in comparison to normal cement materials. It was confirmed that the cement material containing the inorganic admixture was effectively filled gaps of miscellaneous radioactive waste. (author)

  11. Chemical Composition of Water Soluble Inorganic Species in Precipitation at Shihwa Basin, Korea

    Directory of Open Access Journals (Sweden)

    Seung-Myung Park

    2015-05-01

    Full Text Available Weekly rain samples were collected in coastal areas of the Shihwa Basin (Korea from June 2000 to November 2007. The study region includes industrial, rural, and agricultural areas. Wet precipitation was analyzed for conductivity, pH, Cl−, NO3−, SO42−, Na+, K+, Mg2+, NH4+, and Ca2+. The major components of precipitation in the Shihwa Basin were NH4+, volume-weighted mean (VWM of 44.6 µeq∙L−1, representing 43% of all cations, and SO42−, with the highest concentration among the anions (55% at all stations. The pH ranged from 3.4 to 7.7 with a VMM of 4.84. H+ was weakly but positively correlated with SO42− (r = 0.39, p < 0.001 and NO3− (r = 0.38, p < 0.001. About 66% of the acidity was neutralized by NH4+ and Ca2+. The Cl−/Na+ ratio of the precipitation was 37% higher than seawater Cl−/Na+. The high SO42−/NO3− ratio of 2.3 is attributed to the influence of the surrounding industrial sources. Results from positive matrix factorization showed that the precipitation chemistry in Shihwa Basin was influenced by secondary nitrate and sulfate (41% ± 1.1%, followed by sea salt and Asian dust, contributing 23% ± 3.9% and 17% ± 0.2%, respectively. In this study, the annual trends of SO42− and NO3− (p < 0.05 increased, different from the trends in some locations, due to the influence of the expanding power generating facilities located in the upwind area. The increasing trends of SO42− and NO3− in the study region have important implications for reducing air pollution in accordance with national energy policy.

  12. Organic and inorganic ion exchangers as catalysts for the heterogeneous alkylation of aromatics

    Energy Technology Data Exchange (ETDEWEB)

    Klein, J; Widdecke, H [Technische Univ. Braunschweig (Germany, F.R.). Inst. fuer Chemische Technologie

    1979-06-01

    Ion exchangers have advantages over low molecular for use in industrial alkylation reactions. The reactivity and selectivity behaviour of the polymeric catalysts was found to be markedly influenced by the structure of the polymeric matrix as well as the type and number of the functional groups. In this connection many similarities between inorganic ion exchangers (zeolites) and organic ion exchange resins were detected.

  13. Inorganic-Organic Molecules and Solids with Nanometer-Sized Pores

    Energy Technology Data Exchange (ETDEWEB)

    Maverick, Andrew W

    2011-12-17

    We are constructing porous inorganic-organic hybrid molecules and solids, many of which contain coordinatively unsaturated metal centers. In this work, we use multifunctional ²-diketone ligands as building blocks to prepare extended-solid and molecular porous materials that are capable of reacting with a variety of guest molecules.

  14. Effect of chitosan molecular weight on the formation of chitosan-pullulanase soluble complexes and their application in the immobilization of pullulanase onto Fe3O4-κ-carrageenan nanoparticles.

    Science.gov (United States)

    Long, Jie; Xu, Enbo; Li, Xingfei; Wu, Zhengzong; Wang, Fang; Xu, Xueming; Jin, Zhengyu; Jiao, Aiquan; Zhan, Xiaobei

    2016-07-01

    The interactions between pullulanase and chitosans of different molecular weights (Mw) were comprehensively studied, and their applications in pullulanase immobilization onto Fe3O4-κ-carrageenan nanoparticles upon chitosan-pullulanase complexation were also evaluated. Chitosan (CS) complexation with pullulanase was found to be dependent on pH and chitosan Mw. The critical pH of structure-forming events during complexation shifted significantly (pproperties of immobilized pullulanase. Pullulanase immobilized upon CS-50 complexation exhibited the most desirable enzymatic properties. These results indicated that the complexation behavior was mainly dependent on chitosan Mw. This study presents a technique for the production of immobilized pullulanase upon complexation that exhibits potential for applications in continuous syrup production. Crown Copyright © 2016. Published by Elsevier Ltd. All rights reserved.

  15. The water-soluble fraction of potentially toxic elements in contaminated soils: relationships between ecotoxicity, solubility and geochemical reactivity.

    Science.gov (United States)

    Rocha, L; Rodrigues, S M; Lopes, I; Soares, A M V M; Duarte, A C; Pereira, E

    2011-09-01

    To better understand the impacts posed by soil contamination to aquatic ecosystems it is crucial to characterise the links between ecotoxicity, chemical availability and geochemical reactivity of potentially toxic elements (PTE's) in soils. We evaluated the adverse effects of water extracts obtained from soils contaminated by chemical industry and mining, using a test battery including organisms from different trophic levels (bacteria, algae and daphnids). These tests provided a quick assessment of the ecotoxicity of soils with respect to possible adverse effects on aquatic organisms although the ecotoxicological responses could be related to the solubility of PTE's only to a limited extent. The analysis of results of bioassays together with the chemical characterisation of water extracts provided additional relevant insight into the role of conductivity, pH, Al, Fe, and Mn of soil extracts on toxicity to organisms. Furthermore, an important conclusion of this study was that the toxicity of extracts to the aquatic organisms could also be related to the soil properties (pH, Org C and Fe(ox)) and to the reactivity of PTE's in soils which in fact control the soluble fraction of the contaminants. The combined assessment of ecotoxicity in water fractions, solubility and geochemical reactivity of PTE's in soils provided a more comprehensive understanding of the bioavailability of inorganic contaminants than ecotoxicological or chemical studies alone and can therefore be most useful for environmental risks assessment of contaminated soils. Copyright © 2011 Elsevier Ltd. All rights reserved.

  16. Supplementation of inorganic phosphate enhancing the removal efficiency of tannery sludge-borne Cr through bioleaching.

    Science.gov (United States)

    Zheng, Guanyu; Zhou, Lixiang

    2011-10-15

    Four inorganic mineral nutrients including NH4+, K+, Mg2+ and soluble inorganic phosphate (Pi) were investigated to reveal the potential limiting nutrients for tannery sludge bioleaching process driven by Acidithiobacillus species, and the feasibility of supplementing the limiting nutrients to accelerate tannery sludge bioleaching was studied in the present study. It was found that the concentration of Pi was lower than 3.5 mg/L throughout the whole bioleaching process, which is the most probable restricting nutrient for tannery sludge bioleaching. Further experiments revealed that the deficiency of Pi could seriously influence the growth of Acidithiobacillus thiooxidans and lower its oxidization capacity for S0, and the limiting concentration of Pi for the growth of A. thiooxidans was 6 mg/L. The low concentration of soluble Pi in sludge matrix was resulted from the extremely strong sorbing/binding capacity of tannery sludge for phosphate. The supplementation of more than 1.6 g/L KH2PO4 into tannery sludge bioleaching system could effectively stimulate the growth of Acidithiobacillus species, enhance Cr removal rate and further shorten tannery sludge bioleaching period from 10 days to 7 days. Therefore, inorganic phosphate supplementation is an effective and feasible method to accelerate tannery sludge bioleaching process, and the optimum dosage of KH2PO4 was 1.6 g/L for tannery sludge with 5.1% of total solids. Copyright © 2011 Elsevier Ltd. All rights reserved.

  17. Study on radiation-induced polymerization of vinyl monomers adsorbed on inorganic substances. II. Radiation-induced polymerization of methyl methacrylate adsorbed on several inorganic substances

    International Nuclear Information System (INIS)

    Fukano, K.; Kageyama, E.

    1975-01-01

    The radiation-induced polymerization of methyl methacrylate (MMA) adsorbed on such inorganic substances as silica gel, white carbon, silicic acid anhydride, zeolite, and activated alumina was carried out to compare with the case of styrene. The rate of radiation-induced polymerization adsorbed on inorganic substances was high compared with that of radiation-induced bulk state polymerization, as was the case with styrene. Inorganic substrates which contain aluminum as a component element are more likely to be grafted than those which consist of SiO 2 alone, as with styrene. The molecular weight distribution of unextractable polymer and extractable polymer differs, depending on the type of inorganic substance. Experiments by a preirradiation method were carried out in case of silica gel, white carbon, and silicic acid anhydride. GPC spectra of the polymer obtained were different from those of polymer formed by the simultaneous irradiation method. It appears that all the unextractable polymer is grafted to the inorganic surface with chemical bond

  18. In-source collision induced dissociation of inorganic explosives for mass spectrometric signature detection and chemical imaging

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, Thomas P., E-mail: thomas.forbes@nist.gov; Sisco, Edward

    2015-09-10

    The trace detection, bulk quantification, and chemical imaging of inorganic explosives and components was demonstrated utilizing in-source collision induced dissociation (CID) coupled with laser desorption/ionization mass spectrometry (LDI-MS). The incorporation of in-source CID provided direct control over the extent of adduct and cluster fragmentation as well as organic noise reduction for the enhanced detection of both the elemental and molecular ion signatures of fuel-oxidizer mixtures and other inorganic components of explosive devices. Investigation of oxidizer molecular anions, specifically, nitrates, chlorates, and perchlorates, identified that the optimal in-source CID existed at the transition between fragmentation of the ionic salt bonds and molecular anion bonds. The chemical imaging of oxidizer particles from latent fingerprints was demonstrated, including both cation and anion components in positive and negative mode mass spectrometry, respectively. This investigation demonstrated LDI-MS with in-source CID as a versatile tool for security fields, as well as environmental monitoring and nuclear safeguards, facilitating the detection of elemental and molecular inorganic compounds at nanogram levels. - Highlights: • In-source CID enhanced detection of elemental inorganics up to 1000-fold. • In-source CID optimization of polyatomic oxidizers enhanced detection up to 100-fold. • Optimal CID identified at transition from breaking ionic salt to molecular anion bonds. • Trace detection of inorganic explosives at nanogram levels was demonstrated. • Oxidizer particles were chemically imaged directly from latent fingerprints.

  19. Two new inorganic-organic hybrid materials based on inorganic ...

    Indian Academy of Sciences (India)

    fields such as catalysis, pharmacology, medicine, nan- otechnology, and molecular ... such POM-based hybrid materials: (a) organic ligands graft onto POMs directly; .... average value of 6.028, close to the ideal value of 6 for MoVI. The bond ...

  20. Dissolved inorganic carbon and alkalinity fluxes from coastal marine sediments: Model estimates for different shelf environments and sensitivity to global change

    NARCIS (Netherlands)

    Krumins, V.; Gehlen, M.; Arndt, S.; Van Cappellen, P.; Regnier, P.

    2013-01-01

    We present a one-dimensional reactive transport model to estimate benthic fluxes of dissolved inorganic carbon (DIC) and alkalinity (AT) from coastal marine sediments. The model incorporates the transport processes of sediment accumulation, molecular diffusion, bioturbation and bioirrigation,

  1. Polymerized soluble venom--human serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, R.; Suszko, I.M.; Grammer, L.C.

    1985-03-01

    Extensive previous studies have demonstrated that attempts to produce polymers of Hymenoptera venoms for human immunotherapy resulted in insoluble precipitates that could be injected with safety but with very limited immunogenicity in allergic patients. We now report soluble polymers prepared by conjugating bee venom with human serum albumin with glutaraldehyde. The bee venom-albumin polymer (BVAP) preparation was fractionated on Sephacryl S-300 to have a molecular weight range higher than catalase. /sup 125/I-labeled bee venom phospholipase A was almost completely incorporated into BVAP. Rabbit antibody responses to bee venom and bee venom phospholipase A were induced by BVAP. Human antisera against bee venom were absorbed by BVAP. No new antigenic determinants on BVAP were present as evidenced by absorption of antisera against BVAP by bee venom and albumin. BVAP has potential immunotherapeutic value in patients with anaphylactic sensitivity to bee venom.

  2. Polymerized soluble venom--human serum albumin

    International Nuclear Information System (INIS)

    Patterson, R.; Suszko, I.M.; Grammer, L.C.

    1985-01-01

    Extensive previous studies have demonstrated that attempts to produce polymers of Hymenoptera venoms for human immunotherapy resulted in insoluble precipitates that could be injected with safety but with very limited immunogenicity in allergic patients. We now report soluble polymers prepared by conjugating bee venom with human serum albumin with glutaraldehyde. The bee venom-albumin polymer (BVAP) preparation was fractionated on Sephacryl S-300 to have a molecular weight range higher than catalase. 125 I-labeled bee venom phospholipase A was almost completely incorporated into BVAP. Rabbit antibody responses to bee venom and bee venom phospholipase A were induced by BVAP. Human antisera against bee venom were absorbed by BVAP. No new antigenic determinants on BVAP were present as evidenced by absorption of antisera against BVAP by bee venom and albumin. BVAP has potential immunotherapeutic value in patients with anaphylactic sensitivity to bee venom

  3. Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Shanxin, E-mail: xiongsx@xust.edu.cn; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

    2017-07-15

    Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

  4. Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

    International Nuclear Information System (INIS)

    Xiong, Shanxin; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

    2017-01-01

    Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

  5. On nitrogen solubility in water

    International Nuclear Information System (INIS)

    Kalajda, Yu.A.; Katkov, Yu.D.; Kuznetsov, V.A.; Lastovtsev, A.Yu.; Lastochkin, A.P.; Susoev, V.S.

    1980-01-01

    Presented are the results of experimental investigations on nitrogen solubility in water under 0-15 MPa pressure, at the temperature of 100-340 deg C and nitrogen concentration of 0-5000 n.ml. N 2 /kg H 2 O. Empiric equations are derived and a diagram of nitrogen solubility in water is developed on the basis of the experimental data, as well as critically evaluated published data. The investigation results can be used in analyzing water-gas regime of a primary heat carrier in stream-generating plants with water-water reactors

  6. Preliminary considerations concerning actinide solubilities

    International Nuclear Information System (INIS)

    Newton, T.W.; Bayhurst, B.P.; Daniels, W.R.; Erdal, B.R.; Ogard, A.E.

    1980-01-01

    Work at the Los Alamos Scientific Laboratory on the fundamental solution chemistry of the actinides has thus far been confined to preliminary considerations of the problems involved in developing an understanding of the precipitation and dissolution behavior of actinide compounds under environmental conditions. Attempts have been made to calculate solubility as a function of Eh and pH using the appropriate thermodynamic data; results have been presented in terms of contour maps showing lines of constant solubility as a function of Eh and pH. Possible methods of control of the redox potential of rock-groundwater systems by the use of Eh buffers (redox couples) is presented

  7. Thorium oxalate solubility and morphology

    International Nuclear Information System (INIS)

    Monson, P.R. Jr.; Hall, R.

    1981-10-01

    Thorium was used as a stand-in for studying the solubility and precipitation of neptunium and plutonium oxalates. Thorium oxalate solubility was determined over a range of 0.001 to 10.0 in the concentration parameter [H 2 C 2 O 4 ]/[HNO 3 ] 2 . Morphology of thorium oxide made from the oxalate precipitates was characterized by scanning electron microscopy. The different morphologies found for oxalate-lean and oxalate-rich precipitations were in agreement with predictions based on precipitation theory

  8. Solubility database for TILA-99

    Energy Technology Data Exchange (ETDEWEB)

    Vuorinen, U.; Carlsson, T. [VTT Chemical Technology, Espoo (Finland); Kulmala, S.; Hakanen, M. [Helsinki Univ. (Finland). Lab. of Radiochemistry; Ahonen, L. [Geological Survey of Finland, Espoo (Finland)

    1998-11-01

    The safety assessment of spent fuel disposal requires solubility values for several elements estimated in Finnish disposal conditions. In Finland four sites (Haestholmen, Kivetty, Olkiluoto and Romuvaara) are investigated for the disposal of spent fuel. Haestholmen and OLkiluoto are onshore sites, while Kivetty and Romuvaara are inland sites. Based on groundwater analysis and classification according to salinity at the planned disposal depth mainly fresh groundwater is encountered at Kivetty and Romuvaara, while brackish and saline water-types are met at Haestholmen and Olkiluoto. Very saline, almost brine-type water ({approx}70 g/l) has been found in the deepest parts of the investigated bedrock at one of the sites (Olkiluoto). The reference waters and conditions were chosen according to the water-types. The considered reference conditions incorporated both the near- and far-field, and both oxidizing and reducing conditions were considered. In the reference conditions, the changes in solubilities were also estimated as caused by possible variations in the pH, carbonate content and redox conditions. Uranium, which is the main component of spent fuel is dealt with in a separate report presenting the solubility of uranium and spent fuel dissolution. In this work the solubilities of all the other elements of concern (Am, Cu, Nb, Np, Pa, Pd, Pu, Ra, Se, Sn, Tc, Zr, Cm, Ni, Sr, Th, C, Cl, Cs, Fe, Ho, I, and Sm) in the safety assessment are considered. Some discussion on the corrosion of the spent fuel canister is also presented. For the estimation of solubilities of the elements in question, literature data was collected that mainly comprised experimentally measured concentrations. The sources used were spent fuel experiments, concentrations measured in solubility measurements, natural concentrations and concentrations from natural analogue sites (especially Palmottu and Hyrkkoelae in Finland) as well as the concentrations measured at the Finnish investigation sites

  9. Solubility database for TILA-99

    International Nuclear Information System (INIS)

    Vuorinen, U.; Carlsson, T.; Kulmala, S.; Hakanen, M.

    1998-11-01

    The safety assessment of spent fuel disposal requires solubility values for several elements estimated in Finnish disposal conditions. In Finland four sites (Haestholmen, Kivetty, Olkiluoto and Romuvaara) are investigated for the disposal of spent fuel. Haestholmen and OLkiluoto are onshore sites, while Kivetty and Romuvaara are inland sites. Based on groundwater analysis and classification according to salinity at the planned disposal depth mainly fresh groundwater is encountered at Kivetty and Romuvaara, while brackish and saline water-types are met at Haestholmen and Olkiluoto. Very saline, almost brine-type water (∼70 g/l) has been found in the deepest parts of the investigated bedrock at one of the sites (Olkiluoto). The reference waters and conditions were chosen according to the water-types. The considered reference conditions incorporated both the near- and far-field, and both oxidizing and reducing conditions were considered. In the reference conditions, the changes in solubilities were also estimated as caused by possible variations in the pH, carbonate content and redox conditions. Uranium, which is the main component of spent fuel is dealt with in a separate report presenting the solubility of uranium and spent fuel dissolution. In this work the solubilities of all the other elements of concern (Am, Cu, Nb, Np, Pa, Pd, Pu, Ra, Se, Sn, Tc, Zr, Cm, Ni, Sr, Th, C, Cl, Cs, Fe, Ho, I, and Sm) in the safety assessment are considered. Some discussion on the corrosion of the spent fuel canister is also presented. For the estimation of solubilities of the elements in question, literature data was collected that mainly comprised experimentally measured concentrations. The sources used were spent fuel experiments, concentrations measured in solubility measurements, natural concentrations and concentrations from natural analogue sites (especially Palmottu and Hyrkkoelae in Finland) as well as the concentrations measured at the Finnish investigation sites. The

  10. Inorganic biomaterials structure, properties and applications

    CERN Document Server

    Zhang, Xiang C

    2014-01-01

    This book provides a practical guide to the use and applications of inorganic biomaterials. It begins by introducing the concept of inorganic biomaterials, which includes bioceramics and bioglass. This concept is further extended to hybrid biomaterials consisting of inorganic and organic materials to mimic natural biomaterials. The book goes on to provide the reader with information on biocompatibility, bioactivity and bioresorbability. The concept of the latter is important because of the increasing role resorbable biomaterials are playing in implant applications. The book also introduces a n

  11. Applications of inorganic nanoparticles as therapeutic agents

    International Nuclear Information System (INIS)

    Kim, Taeho; Hyeon, Taeghwan

    2014-01-01

    During the last decade, various functional nanostructured materials with interesting optical, magnetic, mechanical and chemical properties have been extensively applied to biomedical areas including imaging, diagnosis and therapy. In therapeutics, most research has focused on the application of nanoparticles as potential delivery vehicles for drugs and genes, because nanoparticles in the size range of 2–100 nm can interact with biological systems at the molecular level, and allow targeted delivery and passage through biological barriers. Recent investigations have even revealed that several kinds of nanomaterials are intrinsically therapeutic. Not only can they passively interact with cells, but they can also actively mediate molecular processes to regulate cell functions. This can be seen in the treatment of cancer via anti-angiogenic mechanisms as well as the treatment of neurodegenerative diseases by effectively controlling oxidative stress. This review will present recent applications of inorganic nanoparticles as therapeutic agents in the treatment of disease. (topical review)

  12. Inorganic elements in sugar samples

    Energy Technology Data Exchange (ETDEWEB)

    Salles, Paulo M.B. de; Campos, Tarcisio P.R. de, E-mail: pauladesalles@yahoo.com.br, E-mail: tprcampos@pq.cnpq.br [Universidade Federal de Minas Gerais (DEN/UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Menezes, Maria Angela de B.C., E-mail: menezes@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2013-07-01

    Sugar is considered a safe food ingredient; however, it can be contaminated by organic elements since its planting until its production process. Thus, this study aims at checking the presence of inorganic elements in samples of crystal, refined and brown sugar available for consumption in Brazil. The applied technique was neutron activation analysis, the k{sub 0} method, using the TRIGA MARK - IPR-R1 reactor located at CDTN/CNEN, in Belo Horizonte. It was identified the presence of elements such as, Au, Br, Co, Cr, Hf, K, Na, Sb, Sc and Zn in the samples of crystal/refined sugar and the presence of As, Au, Br, Ca, Co, Cr, Cs, Fe, Hf, K, Na, Sb, Sc, Sm, Sr, Th and Zn in the brown sugar samples. The applied technique was appropriate to this study because it was not necessary to put the samples in solution, essential condition in order to apply other techniques, avoiding contaminations and sample losses, besides allowing a multi elementary detection in different sugar samples. (author)

  13. Inorganic elements in sugar samples

    International Nuclear Information System (INIS)

    Salles, Paulo M.B. de; Campos, Tarcisio P.R. de

    2013-01-01

    Sugar is considered a safe food ingredient; however, it can be contaminated by organic elements since its planting until its production process. Thus, this study aims at checking the presence of inorganic elements in samples of crystal, refined and brown sugar available for consumption in Brazil. The applied technique was neutron activation analysis, the k 0 method, using the TRIGA MARK - IPR-R1 reactor located at CDTN/CNEN, in Belo Horizonte. It was identified the presence of elements such as, Au, Br, Co, Cr, Hf, K, Na, Sb, Sc and Zn in the samples of crystal/refined sugar and the presence of As, Au, Br, Ca, Co, Cr, Cs, Fe, Hf, K, Na, Sb, Sc, Sm, Sr, Th and Zn in the brown sugar samples. The applied technique was appropriate to this study because it was not necessary to put the samples in solution, essential condition in order to apply other techniques, avoiding contaminations and sample losses, besides allowing a multi elementary detection in different sugar samples. (author)

  14. The quest for inorganic fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.; Ganteför, Gerd, E-mail: gerd.gantefoer@uni-konstanz.de, E-mail: ydkim91@skku.edu [Department of Physics, University of Konstanz, D-78457 Konstanz (Germany); Park, Eun Ji; Kim, Young Dok, E-mail: gerd.gantefoer@uni-konstanz.de, E-mail: ydkim91@skku.edu [Department of Chemistry, Sungkyunkwan University, 440-746 Suwon (Korea, Republic of); Seo, Hyun Ook [Center for Free-Electron Laser Science/DESY, D-22607 Hamburg (Germany); Idrobo, Juan-Carlos [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Pennycook, Stephen J. [Department of Materials Science and Engineering, National University of Singapore, Singapore 117575 (Singapore)

    2015-10-07

    Experimental results of the search for inorganic fullerenes are presented. Mo{sub n}S{sub m}{sup −} and W{sub n}S{sub m}{sup −} clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.

  15. Inorganic chemically active adsorbents (ICAAs)

    Energy Technology Data Exchange (ETDEWEB)

    Ally, M.R. [Oak Ridge National Lab., TN (United States); Tavlarides, L.

    1997-10-01

    Oak Ridge National Laboratory (ORNL) researchers are developing a technology that combines metal chelation extraction technology and synthesis chemistry. They begin with a ceramic substrate such as alumina, titanium oxide or silica gel because they provide high surface area, high mechanical strength, and radiolytic stability. One preparation method involves silylation to hydrophobize the surface, followed by chemisorption of a suitable chelation agent using vapor deposition. Another route attaches newly designed chelating agents through covalent bonding by the use of coupling agents. These approaches provide stable and selective, inorganic chemically active adsorbents (ICAAs) tailored for removal of metals. The technology has the following advantages over ion exchange: (1) higher mechanical strength, (2) higher resistance to radiation fields, (3) higher selectivity for the desired metal ion, (4) no cation exchange, (5) reduced or no interference from accompanying anions, (6) faster kinetics, and (7) easy and selective regeneration. Target waste streams include metal-containing groundwater/process wastewater at ORNL`s Y-12 Plant (multiple metals), Savannah River Site (SRS), Rocky Flats (multiple metals), and Hanford; aqueous mixed wastes at Idaho National Engineering Laboratory (INEL); and scrubber water generated at SRS and INEL. Focus Areas that will benefit from this research include Mixed Waste, and Subsurface Contaminants.

  16. Effect of organic solvents on dissolution process of mechano-chemically activated molybdenum by inorganic acid solutions

    International Nuclear Information System (INIS)

    Shevtsova, I.Ya.; Chernyak, A.S.; Khal'zov, A.A.

    1992-01-01

    The process of chemical dissolution of mechanochemically activated and nonactivated molybdenite by inorganic acid solutions in certain organic solvents of different nature was considered. It is shown that the highest extraction of molybdenum in solution is achieved in the presence of nitric acid. The dissociation constant of the acid used in the given organic solvent does not affect molybdenite solubility. When dissolving molybdenite by solutions of nitric acid in carbonic acids, alcohols and esters, the solubility of the concentrate depends on the length of hydrocarbon chain of the organic solvent and dispersion degree of mineral source material

  17. ISOLATION AND CHARACTERIZATION OF SOLUBLE POLYSACCHARIDES FROM CALAMAGROSTIS ANGUSTIFOLIA KOM

    Directory of Open Access Journals (Sweden)

    Xue-Fei Cao

    2011-06-01

    Full Text Available Sequential treatments of dewaxed Calamagrostis angustifolia Kom with water (60 ºC and 90 ºC, 70% ethanol, and 70% ethanol containing 0.2%, 1.0%, 2.0%, 4.0%, and 8.0% NaOH at a solid to liquid ratio of 1:25 (g/mL at 80 ºC for 3 h yielded 36.2% soluble polysaccharides of the dry dewaxed material. The eight polysaccharide fractions obtained were comparatively studied by sugar analysis, GPC, FT-IR, 1H and 13C-NMR, and 2D-NMR (HSQC spectroscopy. The results showed that the water-soluble polysaccharides might contain noticeable amounts of β-D-glucan, as well as some pectic substances and galactoarabinoxylan. 70% ethanol-soluble polysaccharide was mainly arabinogalactan. The five alkali-soluble hemicelluloses were mainly galactoarabinoxylans. The Ara/Xyl and Ara/Gal values of H5-H8 fractions decreased with the increment of NaOH concentration from 1.0% to 8.0%. Meanwhile, the molecular weights had a declining trend from ~60,000 to ~40,000 g/mol. The smaller sized and more branched polysaccharides tended to be extracted in the early stages under milder conditions, and the larger molecular sized and more linear hemicelluloses tended to be isolated under more highly alkaline conditions.

  18. Biomedical inorganic polymers bioactivity and applications of natural and synthetic polymeric inorganic molecules

    CERN Document Server

    Müller, Werner E G; Schröder, Heinz C; Schroder, Heinz C

    2014-01-01

    In recent years, inorganic polymers have attracted much attention in nano-biomedicine, in particular in the area of regenerative medicine and drug delivery. This growing interest in inorganic polymers has been further accelerated by the development of new synthetic and analytical methods in the field of nanotechnology and nanochemistry. Examples for biomedical inorganic polymers that had been proven to exhibit biomedical effects and/or have been applied in preclinical or clinical trials are polysilicate / silica glass (such as naturally formed "biosilica" and synthetic "bioglass") and inorganic polyphosphate. Some members of the mentioned biomedical inorganic polymers have already been applied e.g. as "bioglass" for bone repair and bone tissue engineering, or they are used in food processing and in dental care (inorganic polyphosphates). However, there are a number of further biological and medicinal properties of these polymers, which have been elucidated in the last few years but not yet been applied for tr...

  19. Appraisal of pressmud and inorganic fertilizers on soil properties yield and sugarcane quality

    International Nuclear Information System (INIS)

    Sarwar, M.A.; Ibrahim, M.; Tahir, M.; Ahmad, K.; Khan, Z.I.; Valeem, E.E.

    2010-01-01

    A field experiment was conducted under semi-arid climatic conditions to evaluate the response of pressmud in combination with inorganic fertilizers and alone (only inorganic fertilizers) on the yield and sugarcane quality parameters besides a value-added product (locally called Gur). It is obvious from the results that inorganic fertilizer use (T2) has increased the tillers per plant, number of millable canes, stripped cane yield, sugar yield and juice present cane by 38.95 %, 38.66 %, 51.96 %, 54.92 % and 21.9 5% respectively, over the control (T1). Similarly when higher dose of pressmud was applied in integration with inorganic fertilizers (in T3), it increased total soluble solids, sucrose, purity, CSS and sugar recovery of juice by 7.83 %, 10.42 %, 2.80 %, 12.06 %, and 12.07 %, over the control (T1). The studies concluded that higher doses of mineral fertilizers increased gur % juice but it did not improve gur quality as done by higher doses of organic manures. Soil properties were also investigated before and after crop harvest. Maximum fertilizer use efficiency (124.29) was recorded in T2. (author)

  20. Solubility limits on radionuclide dissolution

    Energy Technology Data Exchange (ETDEWEB)

    Kerrisk, J.F.

    1984-12-31

    This paper examines the effects of solubility in limiting dissolution rates of a number of important radionuclides from spent fuel and high-level waste. Two simple dissolution models were used for calculations that would be characteristics of a Yucca Mountain repository. A saturation-limited dissolution model, in which the water flowing through the repository is assumed to be saturated with each waste element, is very conservative in that it overestimates dissolution rates. A diffusion-limited dissolution model, in which element-dissolution rates are limited by diffusion of waste elements into water flowing past the waste, is more realistic, but it is subject to some uncertainty at this time. Dissolution rates of some elements (Pu, Am, Sn, Th, Zr, Sm) are always limited by solubility. Dissolution rates of other elements (Cs, Tc, Np, Sr, C, I) are never solubility limited; their release would be limited by dissolution of the bulk waste form. Still other elements (U, Cm, Ni, Ra) show solubility-limited dissolution under some conditions. 9 references, 3 tables.

  1. Solubility of Nd in brine

    International Nuclear Information System (INIS)

    Khalili, F.I.; Symeopoulos, V.; Chen, J.F.; Choppin, G.R.

    1994-01-01

    The solubility of Nd(III) has been measured at 23±3 C in a synthetic brine at pcH 6.4, 8.4, 10.4 and 12.4. The brine consisted predominantly of (Na+K)Cl and MgCl 2 with an ionic strength of 7.8 M (9.4 m) a solid compound of Nd(III) at each pcH was assigned from X-ray diffraction patterns. The log values of the experimental solubilities decrease fomr -3 at pcH 6.4 to -5.8 at pcH 8.4; at pcH 10.4 and 12.4 the solubility was below the detection limit of -7.5. The experimental solubility does not follow closely the variation with pcH estimated from modeling of the species in solution in equilibrium with the Nd solid using S.I.T. (orig.)

  2. Nanoscale Organic−Inorganic Hybrid Lubricants

    KAUST Repository

    Kim, Daniel; Archer, Lynden A.

    2011-01-01

    Silica (SiO2) nanoparticles densely grafted with amphiphilic organic chains are used to create a family of organic-inorganic hybrid lubricants. Short sulfonate-functionalized alkylaryl chains covalently tethered to the particles form a dense corona

  3. Room-temperature ductile inorganic semiconductor

    Science.gov (United States)

    Shi, Xun; Chen, Hongyi; Hao, Feng; Liu, Ruiheng; Wang, Tuo; Qiu, Pengfei; Burkhardt, Ulrich; Grin, Yuri; Chen, Lidong

    2018-05-01

    Ductility is common in metals and metal-based alloys, but is rarely observed in inorganic semiconductors and ceramic insulators. In particular, room-temperature ductile inorganic semiconductors were not known until now. Here, we report an inorganic α-Ag2S semiconductor that exhibits extraordinary metal-like ductility with high plastic deformation strains at room temperature. Analysis of the chemical bonding reveals systems of planes with relatively weak atomic interactions in the crystal structure. In combination with irregularly distributed silver-silver and sulfur-silver bonds due to the silver diffusion, they suppress the cleavage of the material, and thus result in unprecedented ductility. This work opens up the possibility of searching for ductile inorganic semiconductors/ceramics for flexible electronic devices.

  4. Preparation of Organic-Inorganic Multifunctional Nanocomposite Coating via Sol-Gel Routes

    International Nuclear Information System (INIS)

    Li Haoying; Chen Yunfa; Ruan Chengxiang; Gao Weimin; Xie Yusheng

    2001-01-01

    The inorganic-organic nanocomposite coatings are prepared on poly(methyl methacrylate) (PMMA) substrate by the spinning technique which involves incorporating homogeneously nanosized ZnO particle into the molecular inorganic-organic hybrid matrices. The hybrid matrices are derived from tetraethoxyasilane (TEOS) and 3-glycidoxypropyltrimethoxyailane (GLYMO). To avoid the destruction of the polymer structure caused by ZnO and modify the interface between nanoparticles and organic groups, ZnO was first surface-coated with SiO 2 from hydrolyzed TEOS using ammonia water as catalyst. The coatings thus obtained are dense, flexible, abrasion resistant and UV absorbent

  5. Inorganic and carbonaceous components in indoor/outdoor particulate matter in two residential houses in Oslo, Norway.

    Science.gov (United States)

    Lazaridis, Mihalis; Aleksandropoulou, Victoria; Hanssen, Jan Erik; Dye, Christian; Eleftheriadis, Kostantinos; Katsivela, Eleftheria

    2008-03-01

    A detailed analysis of indoor/outdoor physicochemical aerosol properties has been performed. Aerosol measurements were taken at two dwellings, one in the city center and the other in the suburbs of the Oslo metropolitan area, during summer/fall and winter/spring periods of 2002-2003. In this paper, emphasis is placed on the chemical characteristics (water-soluble ions and carbonaceous components) of fine (PM2.5) and coarse (PM2.5-10) particles and their indoor/outdoor relationship. Results demonstrate that the carbonaceous species were dominant in all fractions of the PM10 particles (cut off size: 0.09-11.31 microm) during all measurement periods, except winter 2003, when increased concentrations of water-soluble inorganic ions were predominant because of sea salt transport. The concentration of organic carbon was higher in the fine and coarse PM10 fractions indoors, whereas elemental carbon was higher indoors only in the coarse fraction. In regards to the carbonaceous species, local traffic and secondary organic aerosol formation were, probably, the main sources outdoors, whereas indoors combustion activities such as preparation of food, burning of candles, and cigarette smoking were the main sources. In contrast, the concentrations of water-soluble inorganic ions were higher outdoors than indoors. The variability of water-soluble inorganic ion concentrations outdoors was related to changes in emissions from local anthropogenic sources, long-range transport of particles, sea salt emissions, and resuspension of roadside and soil dusts. In the indoor environment the infiltration of the outdoor air indoors was the major source of inorganic ions.

  6. Inorganic nanolayers: structure, preparation, and biomedical applications.

    Science.gov (United States)

    Saifullah, Bullo; Hussein, Mohd Zobir B

    2015-01-01

    Hydrotalcite-like compounds are two-dimensional inorganic nanolayers also known as clay minerals or anionic clays or layered double hydroxides/layered hydroxy salts, and have emerged as a single type of material with numerous biomedical applications, such as drug delivery, gene delivery, cosmetics, and biosensing. Inorganic nanolayers are promising materials due to their fascinating properties, such as ease of preparation, ability to intercalate different type of anions (inorganic, organic, biomolecules, and even genes), high thermal stability, delivery of intercalated anions in a sustained manner, high biocompatibility, and easy biodegradation. Inorganic nanolayers have been the focus for researchers over the last decade, resulting in widening application horizons, especially in the field of biomedical science. These nanolayers have been widely applied in drug and gene delivery. They have also been applied in biosensing technology, and most recently in bioimaging science. The suitability of inorganic nanolayers for application in drug delivery, gene delivery, biosensing technology, and bioimaging science makes them ideal materials to be applied for theranostic purposes. In this paper, we review the structure, methods of preparation, and latest advances made by inorganic nanolayers in such biomedical applications as drug delivery, gene delivery, biosensing, and bioimaging.

  7. Salicylate-spectrophotometric determination of inorganic monochloramine

    International Nuclear Information System (INIS)

    Tao Hui; Chen Zhonglin; Li Xing; Yang Yanling; Li Guibai

    2008-01-01

    On the basis of classical Berthelot reaction, a simple salicylate-spectrophotometric method was developed for quantitative determination of inorganic monochloramine in water samples. With the catalysis of disodium pentacyanonitrosylferrate(III), inorganic monochloramine reacts with salicylate in equimolar to produce indophenol compound which has an intense absorption at 703 nm. Parameters that influence method performance, such as pH, dosage of salicylate and nitroprussiate and reaction time, were modified to enhance the method performance. By using this method, inorganic monochloramine can be distinguished from organic chloramines and other inorganic chlorine species, such as free chlorine, dichloramine, and trichloramine. The molar absorptivities of the final products formed by these compounds are below ±3% of inorganic monochloramine, because of the α-N in them have only one exchangeable hydrogen atom, and cannot react with salicylate to produce the indophenol compound. The upper concentrations of typical ions that do not interfere with the inorganic monochloramine determination are also tested to be much higher than that mostly encountered in actual water treatment. Case study demonstrates that the results obtained from this method are lower than DPD-titrimetric method because the organic chloramines formed by chlorination of organic nitrogenous compounds give no response in the newly established method. And the result measured by salicylate-spectrophotometric method is coincident with theoretical calculation

  8. Inorganic nanostructure-organic polymer heterostructures useful for thermoelectric devices

    Energy Technology Data Exchange (ETDEWEB)

    See, Kevin C.; Urban, Jeffrey J.; Segalman, Rachel A.; Coates, Nelson E.; Yee, Shannon K.

    2017-11-28

    The present invention provides for an inorganic nanostructure-organic polymer heterostructure, useful as a thermoelectric composite material, comprising (a) an inorganic nanostructure, and (b) an electrically conductive organic polymer disposed on the inorganic nanostructure. Both the inorganic nanostructure and the electrically conductive organic polymer are solution-processable.

  9. Methods for Introducing Inorganic Polymer Concepts throughout the Undergraduate Curriculum

    Science.gov (United States)

    de Lill, Daniel T.; Carraher, Charles E., Jr.

    2017-01-01

    Inorganic polymers can be introduced in a variety of undergraduate courses to discuss concepts related to polymer chemistry. Inorganic polymers such as silicates and polysiloxanes are simple materials that can be incorporated into an introductory or descriptive inorganic course. Polymers based on inorganic carbon, including diamond and graphite,…

  10. Gel electrophoresis of inorganic cations

    International Nuclear Information System (INIS)

    Schoenhofer, F.; Grass, F.

    1978-01-01

    In order to be able to separate the largest possible amounts of substance, polyacryl amide gel (PAA) and silica gel are used as carrier for the electrophoresis. Milligramme quantities can easily be separated on PAA gel plates. Electrophoretic ion focussing considerably improves it. Separations of Sr/Y and lanthanoids were carried out. The behaviour of the readily soluble complexing agent acids on silica gel thin layers was minutely investigated and an interpretation of the focussing effect was derived. The conditions for separating radionuclides were optimized. A further improved separation can be achieved by a time sequence combination of normal electrophoresis and ion focussing. Selective isolation methods are advantageous to determine radionuclide traces in environmental samples. The selective adsorption on preformed deposits was transferred to electrophoresis. After pre-investigations on silica gel layers, strontium and barium could also be retained on PAA gel and radium on strontium sulphate in PAA, whereas the disturbing calcium can easily pass through. Cesium can also be retained by prussian blue in the electrophoresis. (orig.) [de

  11. Amino acids as co-amorphous stabilizers for poorly water soluble drugs--Part 1

    DEFF Research Database (Denmark)

    Löbmann, Korbinian; Grohganz, Holger; Laitinen, Riikka

    2013-01-01

    molecular weight excipients that form specific molecular interactions with the drug resulting in co-amorphous forms. The two poorly water soluble drugs carbamazepine and indomethacin were combined with amino acids from the binding sites of the biological receptors of these drugs. Mixtures of drug...

  12. Purification and Properties of Soluble Chlorophyllase from Tea Leaf Sprouts

    OpenAIRE

    Mioko, Kuroki; Yuzo, Shioi; Tsutomu, Sasa; Division of Biology. Mlyazaki Medical College; Division of Biology. Mlyazaki Medical College; Division of Biology. Mlyazaki Medical College

    1981-01-01

    Soluble chlorophyllase (chlorophyll-chlorophyllido-hydrolase, EC 3.1.1.14) was purified 650-fold from tea leafsprouts by ammonium sulfate fractionation and gel filtration through Sephadex G-200 and Sepharose CL-6B. The purified enzyme showed two bands on polyacrylamide gel electrophoresis and the specific activity was 2.6μmol chlorophyll a hydrolyzed min^ mg^ of protein. The molecular weights determined by Sepharose CL-6B were 910,000 and 350,000, indicating high molecular aggregates. The sub...

  13. Solubility of sparingly soluble drug derivatives of anthranilic acid.

    Science.gov (United States)

    Domańska, Urszula; Pobudkowska, Aneta; Pelczarska, Aleksandra

    2011-03-24

    This work is a continuation of our systematic study of the solubility of pharmaceuticals (Pharms). All substances here are derivatives of anthranilic acid, and have an anti-inflammatory direction of action (niflumic acid, flufenamic acid, and diclofenac sodium). The basic thermal properties of pure Pharms, i.e., melting and glass-transition temperatures as well as the enthalpy of melting, have been measured with the differential scanning microcalorimetry technique (DSC). Molar volumes have been calculated with the Barton group contribution method. The equilibrium mole fraction solubilities of three pharmaceuticals were measured in a range of temperatures from 285 to 355 K in three important solvents for Pharm investigations: water, ethanol, and 1-octanol using a dynamic method and spectroscopic UV-vis method. The experimental solubility data have been correlated by means of the commonly known G(E) equation: the NRTL, with the assumption that the systems studied here have revealed simple eutectic mixtures. pK(a) precise measurement values have been investigated with the Bates-Schwarzenbach spectrophotometric method. © 2011 American Chemical Society

  14. Biomineralization of unicellular organisms: an unusual membrane biochemistry for the production of inorganic nano- and microstructures.

    Science.gov (United States)

    Bäuerlein, Edmund

    2003-02-10

    With evolution, Nature has ingeniously succeeded in giving rise to an impressive variety of inorganic structures. Every organism that synthesizes biogenic minerals does so in a form that is unique to that species. This biomineralization is apparently biologically controlled. It is thus expected that both the synthesis and the form of every specific biogenic mineral is genetically determined and controlled. An investigation of the mechanism of biomineralization has only become possible with the development of modern methods in molecular biology. Unicellular organisms such as magnetic bacteria, calcareous algae, and diatoms, all of which are amongst the simplest forms of life, are particularly suited to be investigated by these methods. Crystals and composites of proteins and amorphous inorganic polymers are formed as complex structures within these organisms; these structures are not known in conventional inorganic chemistry.

  15. Inorganic polyphosphate in the yeast Saccharomyces cerevisiae with a mutation disturbing the function of vacuolar ATPase.

    Science.gov (United States)

    Tomaschevsky, A A; Ryasanova, L P; Kulakovskaya, T V; Kulaev, I S

    2010-08-01

    A mutation in the vma2 gene disturbing V-ATPase function in the yeast Saccharomyces cerevisiae results in a five- and threefold decrease in inorganic polyphosphate content in the stationary and active phases of growth on glucose, respectively. The average polyphosphate chain length in the mutant cells is decreased. The mutation does not prevent polyphosphate utilization during cultivation in a phosphate-deficient medium and recovery of its level on reinoculation in complete medium after phosphate deficiency. The content of short chain acid-soluble polyphosphates is recovered first. It is supposed that these polyphosphates are less dependent on the electrochemical gradient on the vacuolar membrane.

  16. Progress toward clonable inorganic nanoparticles

    Science.gov (United States)

    Ni, Thomas W.; Staicu, Lucian C.; Nemeth, Richard S.; Schwartz, Cindi L.; Crawford, David; Seligman, Jeffrey D.; Hunter, William J.; Pilon-Smits, Elizabeth A. H.; Ackerson, Christopher J.

    2015-10-01

    Pseudomonas moraviensis stanleyae was recently isolated from the roots of the selenium (Se) hyperaccumulator plant Stanleya pinnata. This bacterium tolerates normally lethal concentrations of SeO32- in liquid culture, where it also produces Se nanoparticles. Structure and cellular ultrastructure of the Se nanoparticles as determined by cellular electron tomography shows the nanoparticles as intracellular, of narrow dispersity, symmetrically irregular and without any observable membrane or structured protein shell. Protein mass spectrometry of a fractionated soluble cytosolic material with selenite reducing capability identified nitrite reductase and glutathione reductase homologues as NADPH dependent candidate enzymes for the reduction of selenite to zerovalent Se nanoparticles. In vitro experiments with commercially sourced glutathione reductase revealed that the enzyme can reduce SeO32- (selenite) to Se nanoparticles in an NADPH-dependent process. The disappearance of the enzyme as determined by protein assay during nanoparticle formation suggests that glutathione reductase is associated with or possibly entombed in the nanoparticles whose formation it catalyzes. Chemically dissolving the nanoparticles releases the enzyme. The size of the nanoparticles varies with SeO32- concentration, varying in size form 5 nm diameter when formed at 1.0 μM [SeO32-] to 50 nm maximum diameter when formed at 100 μM [SeO32-]. In aggregate, we suggest that glutathione reductase possesses the key attributes of a clonable nanoparticle system: ion reduction, nanoparticle retention and size control of the nanoparticle at the enzyme site.Pseudomonas moraviensis stanleyae was recently isolated from the roots of the selenium (Se) hyperaccumulator plant Stanleya pinnata. This bacterium tolerates normally lethal concentrations of SeO32- in liquid culture, where it also produces Se nanoparticles. Structure and cellular ultrastructure of the Se nanoparticles as determined by cellular

  17. Near-field solubility studies

    International Nuclear Information System (INIS)

    Thomason, H.P.; Williams, S.J.

    1992-02-01

    Experimental determinations of the solubilities of americium, plutonium, neptunium, protactinium, thorium, radium, lead, tin, palladium and zirconium are reported. These elements have radioactive isotopes of concern in assessments of radioactive waste disposal. All measurements were made under the highly alkaline conditions typical of the near field of a radioactive waste repository which uses cementitious materials for many of the immobilisation matrices, the backfill and the engineered structures. Low redox potentials, typical of those resulting from the corrosion of iron and steel, were simulated for those elements having more than one accessible oxidation state. The dissolved concentrations of the elements were defined using ultrafiltration. In addition, the corrosion of iron and stainless steel was shown to generate low redox potentials in solution and the solubility of iron(II) at high pH was measured and found to be sufficient for it to act as a redox buffer with respect to neptunium and plutonium. (author)

  18. Foundation Coursework in Undergraduate Inorganic Chemistry: Results from a National Survey of Inorganic Chemistry Faculty

    Science.gov (United States)

    Raker, Jeffrey R.; Reisner, Barbara A.; Smith, Sheila R.; Stewart, Joanne L.; Crane, Johanna L.; Pesterfield, Les; Sobel, Sabrina G.

    2015-01-01

    A national survey of inorganic chemists explored the self-reported topics covered in foundation-level courses in inorganic chemistry at the postsecondary level; the American Chemical Society's Committee on Professional Training defines a foundation course as one at the conclusion of which, "a student should have mastered the vocabulary,…

  19. The Solubility Parameters of Ionic Liquids

    Science.gov (United States)

    Marciniak, Andrzej

    2010-01-01

    The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated. PMID:20559495

  20. The Solubility Parameters of Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Andrzej Marciniak

    2010-04-01

    Full Text Available The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated.

  1. Solubility of Carbon in Nanocrystalline -Iron

    OpenAIRE

    Alexander Kirchner; Bernd Kieback

    2012-01-01

    A thermodynamic model for nanocrystalline interstitial alloys is presented. The equilibrium solid solubility of carbon in -iron is calculated for given grain size. Inside the strained nanograins local variation of the carbon content is predicted. Due to the nonlinear relation between strain and solubility, the averaged solubility in the grain interior increases with decreasing grain size. The majority of the global solubility enhancement is due to grain boundary enrichment however. Therefor...

  2. Characterization of humoral responses to soluble trimeric HIV gp140 from a clade A Ugandan field isolate

    DEFF Research Database (Denmark)

    Visciano, Maria Luisa; Tagliamonte, Maria; Stewart-Jones, Guillaume

    2013-01-01

    Trimeric soluble forms of HIV gp140 envelope glycoproteins represent one of the closest molecular structures compared to native spikes present on intact virus particles. Trimeric soluble gp140 have been generated by several groups and such molecules have been shown to induce antibodies with neutr...

  3. Polymerizable Ionic Liquid Crystals Comprising Polyoxometalate Clusters toward Inorganic-Organic Hybrid Solid Electrolytes

    Directory of Open Access Journals (Sweden)

    Takeru Ito

    2017-07-01

    Full Text Available Solid electrolytes are crucial materials for lithium-ion or fuel-cell battery technology due to their structural stability and easiness for handling. Emergence of high conductivity in solid electrolytes requires precise control of the composition and structure. A promising strategy toward highly-conductive solid electrolytes is employing a thermally-stable inorganic component and a structurally-flexible organic moiety to construct inorganic-organic hybrid materials. Ionic liquids as the organic component will be advantageous for the emergence of high conductivity, and polyoxometalate, such as heteropolyacids, are well-known as inorganic proton conductors. Here, newly-designed ionic liquid imidazolium cations, having a polymerizable methacryl group (denoted as MAImC1, were successfully hybridized with heteropolyanions of [PW12O40]3− (PW12 to form inorganic-organic hybrid monomers of MAImC1-PW12. The synthetic procedure of MAImC1-PW12 was a simple ion-exchange reaction, being generally applicable to several polyoxometalates, in principle. MAImC1-PW12 was obtained as single crystals, and its molecular and crystal structures were clearly revealed. Additionally, the hybrid monomer of MAImC1-PW12 was polymerized by a radical polymerization using AIBN as an initiator. Some of the resulting inorganic-organic hybrid polymers exhibited conductivity of 10−4 S·cm−1 order under humidified conditions at 313 K.

  4. Molecular semiconductors photoelectrical properties and solar cells

    CERN Document Server

    Rees, Ch

    1985-01-01

    During the past thirty years considerable efforts have been made to design the synthesis and the study of molecular semiconductors. Molecular semiconductors - and more generally molecular materials - involve interactions between individual subunits which can be separately synthesized. Organic and metallo-organic derivatives are the basis of most of the molecular materials. A survey of the literature on molecular semiconductors leaves one rather confused. It does seem to be very difficult to correlate the molecular structure of these semiconductors with their experimental electrical properties. For inorganic materials a simple definition delimits a fairly homogeneous family. If an inorganic material has a conductivity intermediate between that of an 12 1 1 3 1 1 insulator « 10- n- cm- ) and that of a metal (> 10 n- cm- ), then it is a semiconductor and will exhibit the characteristic properties of this family, such as junction formation, photoconductivity, and the photovoltaic effect. For molecular compounds,...

  5. A Promising New Method to Estimate Drug-Polymer Solubility at Room Temperature

    DEFF Research Database (Denmark)

    Knopp, Matthias Manne; Gannon, Natasha; Porsch, Ilona

    2016-01-01

    The established methods to predict drug-polymer solubility at room temperature either rely on extrapolation over a long temperature range or are limited by the availability of a liquid analogue of the polymer. To overcome these issues, this work investigated a new methodology where the drug-polymer...... solubility is estimated from the solubility of the drug in a solution of the polymer at room temperature using the shake-flask method. Thus, the new polymer in solution method does not rely on temperature extrapolations and only requires the polymer and a solvent, in which the polymer is soluble, that does...... not affect the molecular structure of the drug and polymer relative to that in the solid state. Consequently, as this method has the potential to provide fast and precise estimates of drug-polymer solubility at room temperature, we encourage the scientific community to further investigate this principle both...

  6. Radionuclide solubility control by solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, F.; Klinkenberg, M.; Rozov, K.; Bosbach, D. [Forschungszentrum Juelich GmbH (Germany). Inst. of Energy and Climate Research - Nuclear Waste Management and Reactor Safety (IEK-6); Vinograd, V. [Frankfurt Univ. (Germany). Inst. of Geosciences

    2015-07-01

    The migration of radionuclides in the geosphere is to a large extend controlled by sorption processes onto minerals and colloids. On a molecular level, sorption phenomena involve surface complexation, ion exchange as well as solid solution formation. The formation of solid solutions leads to the structural incorporation of radionuclides in a host structure. Such solid solutions are ubiquitous in natural systems - most minerals in nature are atomistic mixtures of elements rather than pure compounds because their formation leads to a thermodynamically more stable situation compared to the formation of pure compounds. However, due to a lack of reliable data for the expected scenario at close-to equilibrium conditions, solid solution systems have so far not been considered in long-term safety assessments for nuclear waste repositories. In recent years, various solid-solution aqueous solution systems have been studied. Here we present state-of-the art results regarding the formation of (Ra,Ba)SO{sub 4} solid solutions. In some scenarios describing a waste repository system for spent nuclear fuel in crystalline rocks {sup 226}Ra dominates the radiological impact to the environment associated with the potential release of radionuclides from the repository in the future. The solubility of Ra in equilibrium with (Ra,Ba)SO{sub 4} is much lower than the one calculated with RaSO{sub 4} as solubility limiting phase. Especially, the available literature data for the interaction parameter W{sub BaRa}, which describes the non-ideality of the solid solution, vary by about one order of magnitude (Zhu, 2004; Curti et al., 2010). The final {sup 226}Ra concentration in this system is extremely sensitive to the amount of barite, the difference in the solubility products of the end-member phases, and the degree of non-ideality of the solid solution phase. Here, we have enhanced the fundamental understanding regarding (1) the thermodynamics of (Ra,Ba)SO{sub 4} solid solutions and (2) the

  7. Experimental Study of CO2 Solubility in Ionic Liquids and Polyethylene Glycols

    OpenAIRE

    Huang, Huang

    2015-01-01

    The parameter of density, viscosity are tested and fitted with the result of solubility measurement. With series of experiments, this chemical blend is considered with a good effect. The mixture of 50% tetrabutylphosphonium glycine with 50% polyethylene glycol (molecular weight: 400) is the suggested blend, and the most suitable temperature is absorption in 120C and desorption in 60C. But the solubility reduced rapidly from the second cycle of experiment, thus recycled use is not recommended.

  8. Intestinal absorption of water-soluble vitamins in health and disease

    OpenAIRE

    Said, Hamid M.

    2011-01-01

    Our knowledge of the mechanisms and regulation of intestinal absorption of water-soluble vitamins under normal physiological conditions, and of the factors/conditions that affect and interfere with theses processes has been significantly expanded in recent years as a result of the availability of a host of valuable molecular/cellular tools. Although structurally and functionally unrelated, the water-soluble vitamins share the feature of being essential for normal cellular functions, growth an...

  9. Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

    OpenAIRE

    Kristina Wedege; Emil Dražević; Denes Konya; Anders Bentien

    2016-01-01

    Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined ...

  10. Intercalation compounds involving inorganic layered structures

    Directory of Open Access Journals (Sweden)

    CONSTANTINO VERA R. L.

    2000-01-01

    Full Text Available Two-dimensional inorganic networks can shown intracrystalline reactivity, i.e., simple ions, large species as Keggin ions, organic species, coordination compounds or organometallics can be incorporated in the interlayer region. The host-guest interaction usually causes changes in their chemical, catalytic, electronic and optical properties. The isolation of materials with interesting properties and making use of soft chemistry routes have given rise the possibility of industrial and technological applications of these compounds. We have been using several synthetic approaches to intercalate porphyrins and phthalocyanines into inorganic materials: smectite clays, layered double hydroxides and layered niobates. The isolated materials have been characterized by elemental and thermal analysis, X-ray diffraction, surface area measurements, scanning electronic microscopy, electronic and resonance Raman spectroscopies and EPR. The degree of layer stacking and the charge density of the matrices as well their acid-base nature were considered in our studies on the interaction between the macrocycles and inorganic hosts.

  11. Industrial inorganic chemistry. 2. rev. ed.

    International Nuclear Information System (INIS)

    Buechner, W.; Schliebs, R.; Winter, G.; Buechel, K.H.

    1986-01-01

    Inorganic chemistry is a branch of considerable economic and technical importance. Apart from supplying the market with metals, fertilizers, building materials, pigments and glass it is one of the major suppliers of process materials to the organic chemical industry. Many modern products of other industrial sectors (video tapes, optical fibers or silicon chips) could not have been developed and manufactured without the achievements of industrial inorganic chemistry. The publication is the first of its kind to give a compact description of the inorganic chemistry sector. A clearly arranged survey facilitates access to production processes, economic aspects, ecological implications, energy consumption and raw material consumption as well as to many other data and facts. Due to its clear arrangement and the combination of technical and economic facts the book is a valuable source of information. (orig./EF) [de

  12. Inorganic matter characterization in vegetable biomass feedstocks

    Energy Technology Data Exchange (ETDEWEB)

    Suarez-Garcia, F.; Martinez-Alonso, A.; Fernandez Llorenta, M.; Tascon, J.M.D. [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)

    2002-06-01

    A combination of techniques was used to characterize the inorganic constituents of four types of vegetable biomass: apple pulp, olive cake, olive tree pruning and thistle. Two methods were used to selectively eliminate organic matter: low-temperature oxidation in an oxygen plasma, and medium-temperature oxidation in air. Inorganic species present in the residues were identified by X-ray diffraction and FT-IR spectroscopy. The combination of these techniques allowed one to detect SiO{sub 2}, CaCO{sub 3} and various other Ca-, Mg-, Na- and K-containing phases as inorganic constituents of the studied biomass residues. It is concluded that the oxygen plasma treatment produces sulphates and nitrates that were not present in the starting material. Medium-temperature oxidation does not produce these artificial species but induces some thermal transformations in the mineral constituents of biomass, so that each technique has its own advantages and disadvantages. 27 refs., 6 figs., 3 tabs.

  13. Water-Soluble Vitamin E-Tocopheryl Phosphate.

    Science.gov (United States)

    Zingg, Jean-Marc

    The hydrophobicity of vitamin E poses transport and metabolic challenges to regulate its bioavailability and to prevent its accumulation in lipid-rich tissues such as adipose tissue, brain, and liver. Water-soluble precursors of vitamin E (α-tocopherol, αT), such as its esters with acetate (αTA), succinate (αTS), or phosphate (αTP), have increased solubility in water and stability against reaction with free radicals, but they are rapidly converted during their uptake into the lipid-soluble vitamin E. Therefore, the bioavailability of these precursors as intact molecules is low; nevertheless, at least for αTS and αTP, the recent research has revealed unique regulatory effects on signal transduction and gene expression and the modulation of cellular events ranging from proliferation, survival/apoptosis, lipid uptake and metabolism, phagocytosis, long term potentiation, cell migration, telomere maintenance, and angiogenesis. Moreover, water-soluble derivatives of vitamin E including some based on αTP are increasingly used as components of nanocarriers for enhanced and targeted delivery of drugs and other molecules (vitamins, including αT and αTP itself, vitamin D3, carnosine, caffeine, docosahexaenoic acid (DHA), insulin) and cofactors such as coenzyme Q10. In this review, the chemical characteristics, transport, metabolic pathways, and molecular mechanisms of action of αTP in cells and tissues are summarized and put into perspective with its possible role in the prevention of a number of diseases. © 2018 Elsevier Inc. All rights reserved.

  14. Decision trees to characterise the roles of permeability and solubility on the prediction of oral absorption.

    Science.gov (United States)

    Newby, Danielle; Freitas, Alex A; Ghafourian, Taravat

    2015-01-27

    Oral absorption of compounds depends on many physiological, physiochemical and formulation factors. Two important properties that govern oral absorption are in vitro permeability and solubility, which are commonly used as indicators of human intestinal absorption. Despite this, the nature and exact characteristics of the relationship between these parameters are not well understood. In this study a large dataset of human intestinal absorption was collated along with in vitro permeability, aqueous solubility, melting point, and maximum dose for the same compounds. The dataset allowed a permeability threshold to be established objectively to predict high or low intestinal absorption. Using this permeability threshold, classification decision trees incorporating a solubility-related parameter such as experimental or predicted solubility, or the melting point based absorption potential (MPbAP), along with structural molecular descriptors were developed and validated to predict oral absorption class. The decision trees were able to determine the individual roles of permeability and solubility in oral absorption process. Poorly permeable compounds with high solubility show low intestinal absorption, whereas poorly water soluble compounds with high or low permeability may have high intestinal absorption provided that they have certain molecular characteristics such as a small polar surface or specific topology. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  15. Engineered inorganic core/shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Mélinon, Patrice, E-mail: patrice.melinon@univ-lyon1.fr [Institut Lumière matière Université Claude Bernard Lyon 1 et CNRS et OMNT, Domaine Scientifique de la Doua, Bâtiment Léon Brillouin, 43 Boulevard du 11 Novembre 1918, F 69622 Villeurbanne (France); Begin-Colin, Sylvie [IPCMS et OMNT, 23 rue du Loess BP 43, 67034 STRASBOURG Cedex 2 (France); Duvail, Jean Luc [IMN UMR 6502 et OMNT Campus Sciences : 2 rue de la Houssinire, BP32229, 44322 Nantes Cedex3 (France); Gauffre, Fabienne [SPM et OMNT : Institut des sciences chimiques de Rennes - UMR 6226, 263 Avenue du General Leclerc, CS 74205, 35042 RENNES Cedex (France); Boime, Nathalie Herlin [IRAMIS-NIMBE, Laboratoire Francis Perrin (CEA CNRS URA 2453) et OMNT, Bat 522, CEA Saclay, 91191 Gif sur Yvette Cedex (France); Ledoux, Gilles [Institut Lumière Matière Université Claude Bernard Lyon 1 et CNRS et OMNT, Domaine Scientifique de la Doua, Bâtiment Alfred Kastler 43 Boulevard du 11 Novembre 1918 F 69622 Villeurbanne (France); Plain, Jérôme [Universit de technologie de Troyes LNIO-ICD, CNRS et OMNT 12 rue Marie Curie - CS 42060 - 10004 Troyes cedex (France); Reiss, Peter [CEA Grenoble, INAC-SPrAM, UMR 5819 CEA-CNRS-UJF et OMNT, Grenoble cedex 9 (France); Silly, Fabien [CEA, IRAMIS, SPEC, TITANS, CNRS 2464 et OMNT, F-91191 Gif sur Yvette (France); Warot-Fonrose, Bénédicte [CEMES-CNRS, Université de Toulouse et OMNT, 29 rue Jeanne Marvig F 31055 Toulouse (France)

    2014-10-20

    It has been for a long time recognized that nanoparticles are of great scientific interest as they are effectively a bridge between bulk materials and atomic structures. At first, size effects occurring in single elements have been studied. More recently, progress in chemical and physical synthesis routes permitted the preparation of more complex structures. Such structures take advantages of new adjustable parameters including stoichiometry, chemical ordering, shape and segregation opening new fields with tailored materials for biology, mechanics, optics magnetism, chemistry catalysis, solar cells and microelectronics. Among them, core/shell structures are a particular class of nanoparticles made with an inorganic core and one or several inorganic shell layer(s). In earlier work, the shell was merely used as a protective coating for the core. More recently, it has been shown that it is possible to tune the physical properties in a larger range than that of each material taken separately. The goal of the present review is to discuss the basic properties of the different types of core/shell nanoparticles including a large variety of heterostructures. We restrict ourselves on all inorganic (on inorganic/inorganic) core/shell structures. In the light of recent developments, the applications of inorganic core/shell particles are found in many fields including biology, chemistry, physics and engineering. In addition to a representative overview of the properties, general concepts based on solid state physics are considered for material selection and for identifying criteria linking the core/shell structure and its resulting properties. Chemical and physical routes for the synthesis and specific methods for the study of core/shell nanoparticle are briefly discussed.

  16. Development of Inorganic Solar Cells by Nanotechnology

    Institute of Scientific and Technical Information of China (English)

    Yafei Zhang; Huijuan Geng; Zhihua Zhou; Jiang Wu; Zhiming Wang; Yaozhong Zhang; Zhongli Li; Liying Zhang; Zhi Yang; Huey Liang Hwang

    2012-01-01

    Inorganic solar cells, as durable photovoltaic devices for harvesting electric energy from sun light,have received tremendous attention due to the fear of exhausting the earth’s energy resources and damaging the living environment due to greenhouse gases. Some recent developments in nanotechnology have opened up new avenues for more relevant inorganic solar cells produced by new photovoltaic conversion concepts and effective solar energy harvesting nanostructures. In this review, the multiple exciton generation effect solar cells, hot carrier solar cells, one dimensional material constructed asymmetrical schottky barrier arrays, noble nanoparticle induced plasmonic enhancement, and light trapping nanostructured semiconductor solar cells are highlighted.

  17. Separation of fission products using inorganic exchangers

    International Nuclear Information System (INIS)

    Murthy, T.S.; Balasubramanian, K.R.; Rao, K.L.N.; Venkatachalam, R.; Varma, R.N.

    1981-01-01

    This paper describes the separation of long lived fission products like caesium-137, strontium-90 using inorganic exchangers ammonium phosphomolybdate and zirconium antimonate. A revised flow sheet is proposed for the sequential separation of these isotopes using the above two compounds. This is a modification of the earlier scheme developed which involved the use of four inorganic exchangers namely ammonium phosphomolybdate, manganese dioxide, zirconium antimonate and polyantimonic acid. The elution of the adsorbed elements like cerium, strontium, and sodium has been studied and it has been possible to elute these using different eluting agents. (author)

  18. Chronic inorganic mercury induced peripheral neuropathy

    Energy Technology Data Exchange (ETDEWEB)

    Chu, C.-C.; Huang, C.-C.; Ryu, S.-J. [Chang Gung Memorial Hospital and Chang Gung University, Dept. of Neurology, Tapei (Taiwan, Province of China); Wu, T.-N. [Executive Yuan, Dept. of Health, Surveillance and Quarantine Service, Taipei (Taiwan, Province of China)

    1998-12-01

    We report the clinical features, electrophysiological studies, and morphometric analysis of sural nerve pathology in a patient with polyneuropathy due to inorganic mercury intoxication. He developed slowly progressive generalized paralysis of all limbs after 3 months ingestion of herb drugs which contained mercuric sulfate. Electrophysiologic studies revealed axonal polyneuropathy involving both motor and sensory fibers. Sural nerve biopsy demonstrated axonal degeneration with demyelination and a predominant loss of large myelinated fibers. His muscle strength showed only mild improvement after 2 years` follow-up. We concluded that inorganic mercury exposure may induce severe axonal sensorimotor polyneuropathy in humans and that neurological deficits may persist in severe cases. (au) 21 refs.

  19. Photostability of 2D Organic-Inorganic Hybrid Perovskites

    Directory of Open Access Journals (Sweden)

    Yi Wei

    2014-06-01

    Full Text Available We analyze the behavior of a series of newly synthesized (R-NH32PbX4 perovskites and, in particular, discuss the possible reasons which cause their degradation under UV illumination. Experimental results show that the degradation process depends a lot on their molecular components: not only the inorganic part, but also the chemical structure of the organic moieties play an important role in bleaching and photo-chemical reaction processes which tend to destroy perovskites luminescent framework. In addition, we find the spatial arrangement in crystal also influences the photostability course. Following these trends, we propose a plausible mechanism for the photodegradation of the films, and also introduced options for optimized stability.

  20. An inorganic carbon transport system responsible for acclimation specific to air levels of CO2 in Chlamydomonas reinhardtii.

    Science.gov (United States)

    Wang, Yingjun; Spalding, Martin H

    2006-06-27

    Many photosynthetic microorganisms acclimate to CO(2) limited environments by induction and operation of CO(2)-concentrating mechanisms (CCMs). Despite their central role in CCM function, inorganic carbon (Ci) transport systems never have been identified in eukaryotic photosynthetic organisms. In the green alga Chlamydomonas reinhardtii, a mutant, pmp1, was described in 1983 with deficiencies in Ci transport, and a Pmp1 protein-associated Ci uptake system has been proposed to be responsible for Ci uptake in low CO(2) (air level)-acclimated cells. However, even though pmp1 represents the only clear genetic link to Ci transport in microalgae and is one of only a very few mutants directly affecting the CCM itself, the identity of Pmp1 has remained unknown. Physiological analyses indicate that C. reinhardtii possesses multiple Ci transport systems responsible for acclimation to different levels of limiting CO(2) and that the Pmp1-associated transport system is required specifically for low (air level) CO(2) acclimation. In the current study, we identified and characterized a pmp1 allelic mutant, air dier 1 (ad1) that, like pmp1, cannot grow in low CO(2) (350 ppm) but can grow either in high CO(2) (5% CO(2)) or in very low CO(2) (<200 ppm). Molecular analyses revealed that the Ad1/Pmp1 protein is encoded by LciB, a gene previously identified as a CO(2)-responsive gene. LciB and three related genes in C. reinhardtii compose a unique gene family that encode four closely related, apparently soluble plastid proteins with no clearly identifiable conserved motifs.

  1. Inorganic arsenic removal in rice bran by percolating cooking water.

    Science.gov (United States)

    Signes-Pastor, Antonio J; Carey, Manus; Meharg, Andrew A

    2017-11-01

    Rice bran, a by-product of milling rice, is highly nutritious but contains very high levels of the non-threshold carcinogen inorganic arsenic (i-As), at concentrations around 1mg/kg. This i-As content needs to be reduced to make rice bran a useful food ingredient. Evaluated here is a novel approach to minimizing rice bran i-As content which is also suitable for its stabilization namely, cooking bran in percolating arsenic-free boiling water. Up to 96% of i-As removal was observed for a range of rice bran products, with i-As removal related to the volume of cooking water used. This process reduced the copper, potassium, and phosphorus content, but had little effect on other trace- and macro-nutrient elements in the rice bran. There was little change in organic composition, as assayed by NIR, except for a decrease in the soluble sugar and an increase, due to biomass loss, in dietary fiber. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Synthesis, characterization and in vitro biological activities of new water-soluble copper(II), zinc(II), and nickel(II) complexes with sulfonato-substituted Schiff base ligand

    Czech Academy of Sciences Publication Activity Database

    Hosseini-Yazdi, S.A.; Mirzaahmadi, A.; Khandar, A.A.; Eigner, Václav; Dušek, Michal; Lotfipour, F.; Mahdavi, M.; Soltani, S.; Dehghan, G.

    2017-01-01

    Roč. 458, Mar (2017), s. 171-180 ISSN 0020-1693 R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠk(CZ) LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : water-soluble Schiff base * thiosemicarbazone * antimicrobial * antioxidant * cytotoxicity * crystal structure Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 2.002, year: 2016

  3. Time-resolved molecular characterization of organic aerosols by PILS + UPLC/ESI-Q-TOFMS

    Science.gov (United States)

    Zhang, X.; Dalleska, N. F.; Huang, D. D.; Bates, K. H.; Sorooshian, A.; Flagan, R. C.; Seinfeld, J. H.

    2016-04-01

    Real-time and quantitative measurement of particulate matter chemical composition represents one of the most challenging problems in the field of atmospheric chemistry. In the present study, we integrate the Particle-into-Liquid Sampler (PILS) with Ultra Performance Liquid Chromatography/Electrospray ionization Quadrupole Time-of-Flight High-Resolution/Mass Spectrometry (UPLC/ESI-Q-TOFMS) for the time-resolved molecular speciation of chamber-derived secondary organic aerosol (SOA). The unique aspect of the combination of these two well-proven techniques is to provide quantifiable molecular-level information of particle-phase organic compounds on timescales of minutes. We demonstrate that the application of the PILS + UPLC/ESI-Q-TOFMS method is not limited to water-soluble inorganic ions and organic carbon, but is extended to slightly water-soluble species through collection efficiency calibration together with sensitivity and linearity tests. By correlating the water solubility of individual species with their O:C ratio, a parameter that is available for aerosol ensembles as well, we define an average aerosol O:C ratio threshold of 0.3, above which the PILS overall particulate mass collection efficiency approaches ∼0.7. The PILS + UPLC/ESI-Q-TOFMS method can be potentially applied to probe the formation and evolution mechanism of a variety of biogenic and anthropogenic SOA systems in laboratory chamber experiments. We illustrate the application of this method to the reactive uptake of isoprene epoxydiols (IEPOX) on hydrated and acidic ammonium sulfate aerosols.

  4. An artificial muscle model unit based on inorganic nanosheet sliding by photochemical reaction.

    Science.gov (United States)

    Nabetani, Yu; Takamura, Hazuki; Hayasaka, Yuika; Sasamoto, Shin; Tanamura, Yoshihiko; Shimada, Tetsuya; Masui, Dai; Takagi, Shinsuke; Tachibana, Hiroshi; Tong, Zhiwei; Inoue, Haruo

    2013-04-21

    From the viewpoint of developing photoresponsive supramolecular systems in microenvironments to exhibit more sophisticated photo-functions even at the macroscopic level, inorganic/organic hybrid compounds based on clay or niobate nanosheets as the microenvironments were prepared, characterized, and examined for their photoreactions. We show here a novel type of artificial muscle model unit having much similarity with that in natural muscle fibrils. Upon photoirradiation, the organic/inorganic hybrid nanosheets reversibly slide horizontally on a giant scale, and the interlayer spaces in the layered hybrid structure shrink and expand vertically. In particular, our layered hybrid molecular system exhibits a macroscopic morphological change on a giant scale (~1500 nm) compared with the molecular size of ~1 nm, based on a reversible sliding mechanism.

  5. A Soluble, Folded Protein without Charged Amino Acid Residues

    DEFF Research Database (Denmark)

    Højgaard, Casper; Kofoed, Christian; Espersen, Roall

    2016-01-01

    side chains can maintain solubility, stability, and function. As a model, we used a cellulose-binding domain from Cellulomonas fimi, which, among proteins of more than 100 amino acids, presently is the least charged in the Protein Data Bank, with a total of only four titratable residues. We find......Charges are considered an integral part of protein structure and function, enhancing solubility and providing specificity in molecular interactions. We wished to investigate whether charged amino acids are indeed required for protein biogenesis and whether a protein completely free of titratable...... that the protein shows a surprising resilience toward extremes of pH, demonstrating stability and function (cellulose binding) in the pH range from 2 to 11. To ask whether the four charged residues present were required for these properties of this protein, we altered them to nontitratable ones. Remarkably...

  6. Simple inorganic complexes but intricate hydrogen bonding ...

    Indian Academy of Sciences (India)

    Administrator

    We are interested in obtaining single crystals of metal-opda complexes because their crystal structures would show complex hydrogen bonding network due to the presence of. –NH2 groups in the opda ligand (hydrogen bonding donor sites) and inorganic anions having mostly oxo groups (hydrogen bonding acceptor sites) ...

  7. Medicinal Uses of Inorganic Compounds - 1

    Indian Academy of Sciences (India)

    Worldwide sales of inorganic drugs are growing rapidly. Although about 26 elements in the periodic table are considered essential for mammalian life, both ... Lithium like alcohol can influence mood. Lithium drugs such as lithium carbonate Li2C03. , are used for the treatment of manic-depressive disorders, most likely ...

  8. Corrosion performance of inorganic coatings in seawater

    NARCIS (Netherlands)

    Zhang, X.; Buter, S.J.; Ferrari, G.M.; Westing, E. van; Kowalski, L.

    2011-01-01

    Inorganic coatings are widely used to protect carbon steel hydraulic cylinder rods from wear and corrosion in aggressive offshore environment. Different types of lay-ers such as Ni/Cr, Al2O3, Cr2O3, TiO2, and Inconel 625 layers were applied to the carbon steels by plasma, High Velocity Oxygen Fuel

  9. Inorganic mass spectrometry of solid samples

    International Nuclear Information System (INIS)

    Adams, F.; Vertes, A.

    1990-01-01

    In this review some recent developments in the field of inorganic mass spectrometry of solids are described with special emphasis on the actual state of understanding of the ionization processes. It concentrates on the common characteristics of methods such as spark source-, laser-, secondary ion-, inductively coupled plasma- and glow discharge mass spectrometry. (orig.)

  10. INORGANIC ELEMENTS AND DISTRIBUTION OF EASTERN OYSTERS.

    Science.gov (United States)

    Fisher, William S. In press. Inorganic Elements and Distribution of Eastern Oysters (Abstract). To be presented at the 96th Annual Meeting (Aquaculture 2004) of the National Shellfisheries Association, 1-5 March 2004, Honolulu, HI. 1 p. (ERL,GB R962). For over a century w...

  11. Serum Calcium, Inorganic Phosphates and some Haematological ...

    African Journals Online (AJOL)

    Objectives: Sickle cell disease has long been associated with bone deformities and pain. Mineral salts such as calcium and inorganic phosphate are critical in bone formation and metabolism. This investigation was designed to study the serum concentration of these minerals as well as some haematological parameters in ...

  12. Studies on inorganic exchanger: zirconium antimonate

    International Nuclear Information System (INIS)

    Dash, A.; Balasubramanian, K.R.

    1992-01-01

    The inorganic exchanger zirconium antimonate has been prepared and its characteristics evaluated. A method has been developed for the separation of 90 Sr and 144 Ce from fission products solution using this exchanger. (author). 23 refs., 18 f igs., 9 tabs

  13. Phytochemical, inorganic and proximate composition-guided ...

    African Journals Online (AJOL)

    Sterols, glycosides and anthraquinone were absent in all samples. The inorganic composition result showed relatively high concentration of potassium (very high for seed), calcium (for bark and leaf), magnesium and sulphur in Avocado samples. The Avocado seed contained relatively high content of moisture, carbohydrate ...

  14. Microbiological disproportionation of inorganic sulfur compounds

    DEFF Research Database (Denmark)

    Finster, Kai

    2008-01-01

    The disproportionation of inorganic sulfur intermediates at moderate temperatures (0-80 °C) is a microbiologically catalyzed chemolithotrophic process in which compounds like elemental sulfur, thiosulfate, and sulfite serve as both electron donor and acceptor, and generate hydrogen sulfide and su...

  15. Inorganic-Organic Hybrid Materials: Layered Zinc Hydroxide Salts with Intercalated Porphyrin Sensitizers

    Czech Academy of Sciences Publication Activity Database

    Demel, Jan; Kubát, Pavel; Jirka, Ivan; Kovář, P.; Pospíšil, M.; Lang, Kamil

    2010-01-01

    Roč. 114, č. 39 (2010), s. 16321-16328 ISSN 1932-7447 R&D Projects: GA ČR GAP207/10/1447 Institutional research plan: CEZ:AV0Z40320502; CEZ:AV0Z40400503 Keywords : molecular-dynamics simulations * photophysical properties * meso-tetratolylporphyrins Subject RIV: CA - Inorganic Chemistry Impact factor: 4.520, year: 2010

  16. The application of synthetic inorganic ion exchangers to analytical chemistry, 2

    International Nuclear Information System (INIS)

    Abe, Mitsuo

    1974-01-01

    Regarding acidic salts, description is made on the general behaviour of the acidic salts of tetravalent metals and each of zirconium salts, titanium salts, stannic salts, cerium salts, thorium salts, chromium salts, and others. On heteropolyacid salts, ammonium 12-molybdophosphated and phosphorus wolframate are described. On insoluble ferrocyanides, the behaviour of various complex salts is explained. In the discussion on the general behaviour of the acidic salts of tetravalent metals, the ideality of ion exchange, the stability and solubility of the acidic salts, thermal stability and radiation resistance, the ion sieving effect of various acidic salts, and the selectivity of the acidic salts are stated. Zirconium gives a number of acidic salts, such as zirconium phosphate, crystalline zirconium phosphate, zirconium phrophosphate, various polyphosphates of zirconium, zirconium phosphate-silicate, zirconium arsenate, zirconium antimonate, zirconium molybdate, zirconium tungstate, etc. Useful titanium salts for ion exchange are titanium phosphate, titanium aresenate, titanium antimonate, titanium tungstate, titanium molybdate, titanium vanadate, and titanium selenate. The distribution coefficients of metal ions, inorganic-separation of various inorganic ion exchangers, the exchange characteristics of various elements on various ion exchangers, and the selectivity of various inorganic ion-exchangers are tabulated. (Fukutomi, T.)

  17. Hybrid organic-inorganic coatings based on alkoxy-terminated macromonomers

    Energy Technology Data Exchange (ETDEWEB)

    Kaddami, H. [Laboratoire des Materiaux Macromoleculaires---URA CNRS 507, Institut National des Sciences Appliquees de Lyon---Bat 403, 69621 Villeurbanne (France); Cuney, S. [Laboratoire des Materiaux Macromoleculaires---URA CNRS 507, Institut National des Sciences Appliquees de Lyon---Bat 403, 69621 Villeurbanne (France)]|[BSN Emballage-Centre de Recherche de Saint-Romain-en-Gier, 69700 Givors Cedex (France); Pascault, J.P. [Laboratoire des Materiaux Macromoleculaires---URA CNRS 507, Institut National des Sciences Appliquees de Lyon-Bat 403, 69621 Villeurbanne (France); Gerard, J.F. [Laboratoire des Materiaux Macromoleculaires---URA CNRS 507, Institut National des Sciences Appliquees de Lyon-Bat 403, 69621 Villeurbanne (France)

    1996-01-01

    From the use of alkoxysilane-terminated macromonomers based on hydrogenated polybutadiene and polycaprolactone oligomers and by using the polyurethane chemistry, hybrid organic{emdash}inorganic materials are prepared. These ones are two-phases systems in which the continuous phase is organic reinforced by silicon rich dispersed particles. These nanosized dispersed particles are formed {ital in} {ital situ} during the hydrolysis and condensation of the sol-gel process according to the phase separation process occurring between the organic and inorganic phases. The gelation process and the final morphologies were found to be very dependent on the acid(catalyst)-to-silicon ratio, on the molar mass of the oligomers, and on the solubility parameter of the soft segment. In fact, during the synthesis, there is a competition between the gelation and the phase separation process which could be perturbated by the vitrification of the silicon-rich clusters. The final morphologies observed by TEM and SAXS are discussed on the basis of the microstructural model proposed by Wilkes and Huang. Such hybrid organic-inorganic materials are applied as coatings on glass float plates tested in a bi-axial mode. The reinforcement is discussed as a function of the morphology of the coatings. {copyright} {ital 1996 American Institute of Physics.}

  18. Determination of inorganic beryllium species in the particulate matter of emissions and working areas

    Energy Technology Data Exchange (ETDEWEB)

    Profumo, A.; Spini, G.; Cucca, L.; Pesavento, M. [Dipartimento di Chimica Gen., Pavia (Italy)

    2002-07-01

    A sequential extraction procedure for separating and determining Be(0), soluble Be(II) inorganic compounds, BeO and beryllium silicates in samples, such as particulate matter of emissions and working areas, has been developed. The proposed procedure has been tested on synthetic samples prepared with the inorganic beryllium compounds, in the presence of atmospherical particulate matter sampled in a laboratory, previously checked for the absence of beryllium. The speciation was then repeated on a sample of fly ash deriving from a solid waste incinerator and on a reference material (Coal Fly ash SRM 1633a, by NIST), followed by an evaluation of matrix spiking and recovery analyses. Performing multiple analyses of the spiked samples assessed the repeatability of the procedure. Quantitative determinations have been made by inductively coupled plasma optical emission spectrometry (ICP-OES) and electrothermal atomic absorption spectrometry (ETAAS). The possible interferences of the most common ions have been investigated. The selective sequential extractions allow one to separate and to determine different inorganic beryllium species, to which a different toxicity and therefore, a different risk are related: it is the case for example of metallic beryllium and beryllium oxide.

  19. Influence of Organic and Inorganic Sources of Fertilizer on Growth ...

    African Journals Online (AJOL)

    Influence of Organic and Inorganic Sources of Fertilizer on Growth and Leaf Yield of Kale ... Journal of Agriculture, Science and Technology ... fertilizer gave leaf yields comparable to those applied with exclusively inorganic sources of fertilizer.

  20. Two novel heat-soluble protein families abundantly expressed in an anhydrobiotic tardigrade.

    Directory of Open Access Journals (Sweden)

    Ayami Yamaguchi

    Full Text Available Tardigrades are able to tolerate almost complete dehydration by reversibly switching to an ametabolic state. This ability is called anhydrobiosis. In the anhydrobiotic state, tardigrades can withstand various extreme environments including space, but their molecular basis remains largely unknown. Late embryogenesis abundant (LEA proteins are heat-soluble proteins and can prevent protein-aggregation in dehydrated conditions in other anhydrobiotic organisms, but their relevance to tardigrade anhydrobiosis is not clarified. In this study, we focused on the heat-soluble property characteristic of LEA proteins and conducted heat-soluble proteomics using an anhydrobiotic tardigrade. Our heat-soluble proteomics identified five abundant heat-soluble proteins. All of them showed no sequence similarity with LEA proteins and formed two novel protein families with distinct subcellular localizations. We named them Cytoplasmic Abundant Heat Soluble (CAHS and Secretory Abundant Heat Soluble (SAHS protein families, according to their localization. Both protein families were conserved among tardigrades, but not found in other phyla. Although CAHS protein was intrinsically unstructured and SAHS protein was rich in β-structure in the hydrated condition, proteins in both families changed their conformation to an α-helical structure in water-deficient conditions as LEA proteins do. Two conserved repeats of 19-mer motifs in CAHS proteins were capable to form amphiphilic stripes in α-helices, suggesting their roles as molecular shield in water-deficient condition, though charge distribution pattern in α-helices were different between CAHS and LEA proteins. Tardigrades might have evolved novel protein families with a heat-soluble property and this study revealed a novel repertoire of major heat-soluble proteins in these anhydrobiotic animals.

  1. Collectin CL-LK Is a Novel Soluble Pattern Recognition Receptor for Mycobacterium tuberculosis

    DEFF Research Database (Denmark)

    Troegeler, Anthony; Lugo-Villarino, Geanncarlo; Hansen, Søren

    2015-01-01

    Understanding the molecular components of immune recognition of the tuberculosis (TB) bacillus, Mycobacterium tuberculosis, can help designing novel strategies to combat TB. Here, we identify collectin CL-LK as a novel soluble C-type lectin able to bind M. tuberculosis, and characterize mycobacte......Understanding the molecular components of immune recognition of the tuberculosis (TB) bacillus, Mycobacterium tuberculosis, can help designing novel strategies to combat TB. Here, we identify collectin CL-LK as a novel soluble C-type lectin able to bind M. tuberculosis, and characterize...

  2. Review of progress in soil inorganic carbon research

    Science.gov (United States)

    Bai, S. G.; Jiao, Y.; Yang, W. Z.; Gu, P.; Yang, J.; Liu, L. J.

    2017-12-01

    Soil inorganic carbon is one of the main carbon banks in the near-surface environment, and is the main form of soil carbon library in arid and semi-arid regions, which plays an important role in the global carbon cycle. This paper mainly focuses on the inorganic dynamic process of soil inorganic carbon in soil environment in arid and semi-arid regions, and summarized the composition and source of soil inorganic carbon, influence factors and soil carbon sequestration.

  3. Quantitative method for determination of body inorganic iodine

    International Nuclear Information System (INIS)

    Filatov, A.A.; Tatsievskij, V.A.

    1991-01-01

    An original method of quantitation of body inorganic iodine, based upon a simultaneous administration of a known dose of stable and radioactive iodine with subsequent radiometry of the thyroid was proposed. The calculation is based upon the principle of the dilution of radiactive iodine in human inorganic iodine space. The method permits quantitation of the amount of inorganic iodine with regard to individual features of inorganic space. The method is characterized by simplicity and is not invasive for a patient

  4. Inorganic component of saliva during fasting and after fast break

    OpenAIRE

    Samad, Rasmidar

    2016-01-01

    Oral health is closely related to salivary components. Saliva consists of water, inorganic and organic materials. Fasting changes one???s meal and drinking time that in turn can affect the environment in oral cavity, including inorganic componenet of saliva. The purpose of this study is to determine the inorganic component of saliva during fasting and after fast break.

  5. Nanosuspension Technology for Solubilizing Poorly Soluble Drugs

    OpenAIRE

    Deoli Mukesh

    2012-01-01

    Poor water solubility for many drugs and drug candidates remains a major obstacle to their development and clinical application. It is estimated that around 40% of drugs in the pipeline cannot be delivered through the preferred route or in some cases, at all owing to poor water solubility. Conventional formulations to improve solubility suffer from low bioavailability and poor pharmacokinetics, with some carriers rendering systemic toxicities (e.g. Cremophor1 EL). To date, nanoscale systems f...

  6. Soluble theory with massive ghosts

    International Nuclear Information System (INIS)

    Pisarski, R.D.

    1983-01-01

    To investigate the unitarity of asymptotically free, higher-derivative theories, like certain models of quantum gravity, I study a prototype in two space-time dimensions. The prototype is a kind of higher-derivative nonlinear sigma model; it is asymptotically free, exhibits dimensional transmutation, and is soluble in a large-N expansion. The S-matrix elements, constructed from the analytic continuation of the Euclidean Green's functions, conserve probability to approx.O(N -1 ), but violate unitarity at approx.O(N -2 ). The model demonstrates that in higher-derivative theories unitarity, or the lack thereof, cannot be decided without explicit control over the infrared limit. Even so, the results suggest that there may exist some (rather special) asymptotically free, higher-derivative theories which are unitary

  7. Issues concerning the determination of solubility products of sparingly soluble crystalline solids. Solubility of HfO2(cr)

    International Nuclear Information System (INIS)

    Rai, Dhanpat; Kitamura, Akira; Rosso, Kevin M.; Sasaki, Takayuki; Kobayashi, Taishi

    2016-01-01

    Solubility studies were conducted with HfO 2 (cr) solid as a function HCl and ionic strength ranging from 2.0 to 0.004 mol kg -1 . These studies involved (1) using two different amounts of the solid phase, (2) acid washing the bulk solid phase, (3) preheating the solid phase to 1400 C, and (4) heating amorphous HfO 2 (am) suspensions to 90 C to ascertain whether the HfO 2 (am) converts to HfO 2 (cr) and to determine the solubility from the oversaturation direction. Based on the results of these treatments it is concluded that the HfO 2 (cr) contains a small fraction of less crystalline, but not amorphous, material [HfO 2 (lcr)] and this, rather than the HfO 2 (cr), is the solubility-controlling phase in the range of experimental variables investigated in this study. The solubility data are interpreted using both the Pitzer and SIT models and they provide log 10 K 0 values of -(59.75±0.35) and -(59.48±0.41), respectively, for the solubility product of HfO 2 (lcr)[HfO 2 (lcr) + 2H 2 O ↔ Hf 4+ + 4OH - ]. The log 10 of the solubility product of HfO 2 (cr) is estimated to be < -63. The observation of a small fraction of less crystalline higher solubility material is consistent with the general picture that mineral surfaces are often structurally and/or compositionally imperfect leading to a higher solubility than the bulk crystalline solid. This study stresses the urgent need, during interpretation of solubility data, of taking precautions to make certain that the observed solubility behavior for sparingly-soluble solids is assigned to the proper solid phase.

  8. Issues concerning the determination of solubility products of sparingly soluble crystalline solids. Solubility of HfO{sub 2}(cr)

    Energy Technology Data Exchange (ETDEWEB)

    Rai, Dhanpat [Rai Enviro-Chem, LLC, Yachats, OR (United States); Kitamura, Akira [Japan Atomic Energy Agency, Ibaraki (Japan); Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, WA (United States); Sasaki, Takayuki; Kobayashi, Taishi [Kyoto Univ. (Japan)

    2016-11-01

    Solubility studies were conducted with HfO{sub 2}(cr) solid as a function HCl and ionic strength ranging from 2.0 to 0.004 mol kg{sup -1}. These studies involved (1) using two different amounts of the solid phase, (2) acid washing the bulk solid phase, (3) preheating the solid phase to 1400 C, and (4) heating amorphous HfO{sub 2}(am) suspensions to 90 C to ascertain whether the HfO{sub 2}(am) converts to HfO{sub 2}(cr) and to determine the solubility from the oversaturation direction. Based on the results of these treatments it is concluded that the HfO{sub 2}(cr) contains a small fraction of less crystalline, but not amorphous, material [HfO{sub 2}(lcr)] and this, rather than the HfO{sub 2}(cr), is the solubility-controlling phase in the range of experimental variables investigated in this study. The solubility data are interpreted using both the Pitzer and SIT models and they provide log{sub 10} K{sup 0} values of -(59.75±0.35) and -(59.48±0.41), respectively, for the solubility product of HfO{sub 2}(lcr)[HfO{sub 2}(lcr) + 2H{sub 2}O ↔ Hf{sup 4+} + 4OH{sup -}]. The log{sub 10} of the solubility product of HfO{sub 2}(cr) is estimated to be < -63. The observation of a small fraction of less crystalline higher solubility material is consistent with the general picture that mineral surfaces are often structurally and/or compositionally imperfect leading to a higher solubility than the bulk crystalline solid. This study stresses the urgent need, during interpretation of solubility data, of taking precautions to make certain that the observed solubility behavior for sparingly-soluble solids is assigned to the proper solid phase.

  9. Retrograde curves of solidus and solubility

    International Nuclear Information System (INIS)

    Vasil'ev, M.V.

    1979-01-01

    The investigation was concerned with the constitutional diagrams of the eutectic type with ''retrograde solidus'' and ''retrograde solubility curve'' which must be considered as diagrams with degenerate monotectic transformation. The solidus and the solubility curves form a retrograde curve with a common retrograde point representing the solubility maximum. The two branches of the Aetrograde curve can be described with the aid of two similar equations. Presented are corresponding equations for the Cd-Zn system and shown is the possibility of predicting the run of the solubility curve

  10. Solubility limits of importance to leaching

    International Nuclear Information System (INIS)

    Ogard, A.; Bentley, G.; Bryant, E.; Duffy, C.; Grisham, J.; Norris, E.; Orth, C.; Thomas, K.

    1981-01-01

    The solubilities of some radionuclides, especially rare earths and actinides, may be an important and controlling factor in leaching of waste forms. These solubilities should be measured accurately as a function of pH and not as a part of a multicomponent system. Individual solubilities should be measured as a function of temperature to determine if a kinetic effect is being observed in the data. A negative temperature coefficient of solubility for actinides and rare earths in water would have important consequences for nuclear reactor safety and for the management of nuclear wastes

  11. Actinide solubility in deep groundwaters - estimates for upper limits based on chemical equilibrium calculations

    International Nuclear Information System (INIS)

    Schweingruber, M.

    1983-12-01

    A chemical equilibrium model is used to estimate maximum upper concentration limits for some actinides (Th, U, Np, Pu, Am) in groundwaters. Eh/pH diagrams for solubility isopleths, dominant dissolved species and limiting solids are constructed for fixed parameter sets including temperature, thermodynamic database, ionic strength and total concentrations of most important inorganic ligands (carbonate, fluoride, phosphate, sulphate, chloride). In order to assess conservative conditions, a reference water is defined with high ligand content and ionic strength, but without competing cations. In addition, actinide oxides and hydroxides are the only solid phases considered. Recommendations for 'safe' upper actinide solubility limits for deep groundwaters are derived from such diagrams, based on the predicted Eh/pH domain. The model results are validated as far as the scarce experimental data permit. (Auth.)

  12. Plant growth inhibition by soluble salts in sewage sludge-amended mine spoils

    Energy Technology Data Exchange (ETDEWEB)

    Rodgers, C.S.; Anderson, R.C. [Illinois State University, Normal, IL (United States). Dept. of Biological Sciences

    1995-07-01

    The growth response of prairie switchgrass {ital Panicum virgatum}L was compared in strip mine spoil amended with various levels of anaerobically digested waste-activated sewage sludge (0, 56, 111, 222, or 333 dry Mg ha{sup -1}) and commercial fertilizer, pure sludge, and glasshouse soil. Plants were grown in a growth chamber and substrates were maintained at field capacity during the study. Soluble salt concentrations of the substrates increased linearly as a function of sludge amendment and were within the range known to inhibit the growth of many plant species at the high levels of sludge application. There was, however, a linear response of biomass production to increasing levels of sludge amendment. Maintaining substrates at field capacity apparently prevented the high concentration of soluble salts from inhibiting plant growth. The increased biomass yield associated with sludge application was likely due to the increased availability of inorganic nutrients associated with sludge amendment. 22 refs., 2 figs., 2 tabs.

  13. Mechanistic study of solubility enhancement of nifedipine using vitamin E TPGS or solutol HS-15.

    Science.gov (United States)

    Rajebahadur, Minal; Zia, Hossein; Nues, Anthony; Lee, Chong

    2006-01-01

    The objective of our study was to find mechanisms responsible for solubility enhancement of nifedipine in solid dispersions of vitamin E TPGS and/or solutol HS-15. Solid dispersions of nifedipine with selected polymers such as vitamin E TPGS, solutol HS-15, PEG(1,000), and lipocol C-10 of varying drug/polymer ratios were prepared by a fusion method. The solubility enhancement was found to be in the order of vitamin E TPGS > solutol HS-15 > lipocol C-10 > PEG(1,000). Lipocol C-10, with a similar hydrophilic-lipophilic value as vitamin E TPGS, showed a comparable retained solubility enhancement during saturation solubility studies but had lower dissolution profile. Overall, vitamin E TPGS showed the best solubility and dissolution performance, while solutol HS-15 and lipocol C-10 demonstrated moderate solubility enhancements. Solid dispersions of vitamin E TPGS as prepared by microfluidization technique initially showed slightly higher solubility compared with samples prepared by fusion method, but eventually it became the same as the study progressed. However, solid dispersion of solutol HS-15 as prepared by microfluidization demonstrated a significant, sustained increased in solubility over its sample when prepared by fusion method. Based on these results, we concluded that enhanced solubility using vitamin E TPGS and solutol HS-15 resulted from a partial conversion of crystalline drug to the amorphous form, increase in wettability of the drug by water soluble polymers, better separation of drug particles, micellar solubilization of drug by high concentrations of surfactant polymers, and interaction between polymer and drug at the molecular level.

  14. Amelioration of radiation induced oxidative stress using water soluble chitosan produced by Aspergillus niger

    International Nuclear Information System (INIS)

    EL-Sonbaty, S.M.; Swailam, H.M.; Noaman, E.

    2012-01-01

    Chitosan is a natural polysaccharide synthesized by a great number of living organisms and considered as a source of potential bioactive material and has many biological applications which are greatly affected by its solubility in neutral ph. In this study low molecular weight water soluble chitosan was prepared by chemical degradation of chitosan produced by Aspergillus niger using H 2 O 2 . Chitosan chemical structure was detected before and after treatment using FTIR spectrum, and its molecular weight was determined by its viscosity using viscometer. Its antioxidant activity against gamma radiation was evaluated in vivo using rats. Rats were divided into 4 groups; group 1: control, group 2: exposed to acute dose of gamma radiation (6 Gy), group 3: received water soluble chitosan, group 4: received water soluble chitosan then exposed to gamma radiation as group 2. Gamma radiation significantly increased malonaldehyde, decreased glutathione concentration, activity of superoxide dismutase, catalase, and glutatione peroxidase, while significantly increase the activity of alanine transferase, aspartate transferase, urea and creatinine concentration. Administration of water soluble chitosan has ameliorated induced changes caused by gamma radiation. It could be concluded that water soluble chitosan by scavenging free radicals directly or indirectly may act as a potent radioprotector against ionizing irradiation.

  15. Design of bone-integrating organic-inorganic composite suitable for bone repair.

    Science.gov (United States)

    Miyazaki, Toshiki

    2013-01-01

    Several ceramics exhibit specific biological affinity, i.e. direct bone integration, when implanted in bony defects. They are called bioactive ceramics and utilized as important bone substitutes. However, there is limitation on clinical application, because of their inappropriate mechanical properties such as high Young's modulus and low fracture toughness. Novel bioactive materials exhibiting high machinability and flexibility have been desired in medical fields. Mixing bioactive ceramic powders and organic polymers have developed various organic-inorganic composites. Their mechanical property and bioactivity are mainly governed by the ceramics content. It is known that bioactive ceramics integrate with the bone through bone-like hydroxyapatite layer formed on their surfaces by chemical reaction with body fluid. This is triggered by a catalytic effect of various functional groups. On the basis of these facts, novel bioactive organic-inorganic nanocomposites have been developed. In these composites, inorganic components effective for triggering the hydroxyapatite nucleation are dispersed in polymer matrix at molecular level. Concept of the organic-inorganic composite is also applicable for providing polymethyl methacrylate (PMMA) bone cement with the bioactivity.

  16. The quest for the ideal inorganic scintillator

    International Nuclear Information System (INIS)

    Derenzo, S.E.; Weber, M.J.; Bourret-Courchesne, E.; Klintenberg, M.K.

    2002-01-01

    The past half century has witnessed the discovery of many new inorganic scintillator materials and numerous advances in our understanding of the basic physical processes governing the transformation of ionizing radiation into scintillation light. Whereas scintillators are available with a good combination of physical properties, none provides the desired combination of stopping power, light output, and decay time. A review of the numerous scintillation mechanisms of known inorganic scintillators reveals why none of them is both bright and fast. The mechanisms of radiative recombination in wide-bandgap direct semiconductors, however, remain relatively unexploited for scintillators. We describe how suitably doped semiconductor scintillators could provide a combination of high light output, short decay time, and linearity of response that approach fundamental limits

  17. Interfacial and transport properties of nanoconstrained inorganic and organic materials

    Science.gov (United States)

    Kocherlakota, Lakshmi Suhasini

    Nanoscale constraints impact the material properties of both organic and inorganic systems. The systems specifically studied here are (i) nanoconstrained polymeric systems, poly(l-trimethylsilyl-1-propyne) (PTMSP) and poly(ethylene oxide) (PEO) relevant to gas separation membranes (ii) Zwitterionic polymers poly(sulfobetaine methacrylate)(pSBMA), poly(carboxybetaine acrylamide) (pCBAA), and poly(oligo(ethylene glycol) methyl methacrylate) (PEGMA) brushes critical for reducing bio-fouling (iii) Surface properties of N-layer graphene sheets. Interfacial constraints in ultrathin poly(l-trimethylsilyl-1-propyne) (PTMSP) membranes yielded gas permeabilities and CO2/helium selectivities that exceed bulk PTMSP membrane transport properties by up to three-fold for membranes of submicrometer thickness. Indicative of a free volume increase, a molecular energetic mobility analysis (involving intrinsic friction analysis) revealed enhanced methyl side group mobilities in thin PTMSP membranes with maximum permeation, compared to bulk films. Aging studies conducted over the timescales relevant to the conducted experiments signify that the free volume states in the thin film membranes are highly unstable in the presence of sorbing gases such as CO2. To maintain this high free volume configuration of polymer while improving the temporal stability an "inverse" architecture to conventional polymer nanocomposites was investigated, in which the polymer phase of PTMSP and PEO were interfacially and dimensionally constrained in nanoporous anodic aluminum oxide (AAO) membranes. While with this architecture the benefits of nanocomposite and ultrathin film membranes of PTMSP could be reproduced and improved upon, also the temporal stability could be enhanced substantially. The PEO-AAO nanocomposite membranes also revealed improved gas selectivity properties of CO2 over helium. In the thermal transition studies of zwitterionic pSBMA brushes a reversible critical transition temperature of 60

  18. Design and characterization of pentacene-inorganic interfaces

    International Nuclear Information System (INIS)

    Evans, Paul G.; Park, Byoungnam; Seo, Soonjoo; Zwickey, Jodi; In, Insik; Paoprasert, Peerasak; Gopalan, Padma

    2007-01-01

    The accumulation layer of organic thin film field-effect transistors extends away from the gate insulator/semiconductor interface by only a few molecular layers into the semiconductor thin film. The structure of these first few layers are thus crucially important to the electrical properties of devices and to the design of other functional structures incorporating organic/inorganic interfaces. We have used scanning tunneling microscopy to image the vacancies and grain boundaries in pentacene thin films on Si (0 0 1) substrates chemically terminated by styrene. The styrene termination allows pentacene molecules to form in a crystal structure similar to that of pentacene layers on the insulating substrates. In addition, by incorporating specially designed molecular monolayers at the interface between the gate insulator and the pentacene thin film, it is possible to form novel photoinduced charge-transfer structures. Tuning the chemical properties of the self-assembled monolayers affords a new degree of control in tuning the properties of these devices

  19. Increasing solubility of red bell pepper carotenoids by complexation with 2-hydroxypropyl-β-cyclodextrin.

    Science.gov (United States)

    de Lima Petito, Nicolly; da Silva Dias, Daiana; Costa, Valéria Gonçalves; Falcão, Deborah Quintanilha; de Lima Araujo, Kátia Gome

    2016-10-01

    Red bell pepper carotenoids were complexed with 2-hydroxypropyl-β-cyclodextrin (2-HPβCD) in different mass ratios (1:4, 1:6, 1:8 and 1:10) through ultrasonic homogenization in order to increase carotenoid solubility and their use as natural pigment in food. Inclusion complexes, red bell pepper extract and physical mixtures were analyzed by DSC, FT-IR, (1)H NMR and DLS. Solubility assay was performed to identify the effect of complexation on the solubility of carotenoids. From characterization assays, results showed that inclusion process occurred for all tested ratios. Results for water solubility assays demonstrated clear differences between solubility index of inclusion complexes (8.06±2.59-16.55±4.40mg/mL) and physical mixtures (3.53±1.44-7.3±1.88mg/mL), while carotenoid extract was no water soluble, as expected. These results indicated that molecular inclusion of carotenoids in 2-HPβCD was efficient to enhance their solubility in water, enabling application of red bell pepper carotenoid as natural pigment and/or bioactive substances in food. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Molten salt battery having inorganic paper separator

    Science.gov (United States)

    Walker, Jr., Robert D.

    1977-01-01

    A high temperature secondary battery comprises an anode containing lithium, a cathode containing a chalcogen or chalcogenide, a molten salt electrolyte containing lithium ions, and a separator comprising a porous sheet comprising a homogenous mixture of 2-20 wt.% chrysotile asbestos fibers and the remainder inorganic material non-reactive with the battery components. The non-reactive material is present as fibers, powder, or a fiber-powder mixture.

  1. Inorganic Materials Division annual report, 1975

    International Nuclear Information System (INIS)

    Duba, A.; Hornady, B.

    1976-01-01

    This compilation lists abstracts of papers, internal reports, and talks presented during 1975 at national and international meetings by members of the Geoscience and Engineering Section, Inorganic Materials Division, Chemistry and Materials Science Department, Lawrence Livermore Laboratory. Titles of talks at university and local meetings are also listed when available. The subjects range from the in situ retorting of coal to the temperature profile of the moon. A subject classification is included

  2. Supramolecular Complexation of Carbohydrates for the Bioavailability Enhancement of Poorly Soluble Drugs.

    Science.gov (United States)

    Cho, Eunae; Jung, Seunho

    2015-10-27

    In this review, a comprehensive overview of advances in the supramolecular complexes of carbohydrates and poorly soluble drugs is presented. Through the complexation process, poorly soluble drugs could be efficiently delivered to their desired destinations. Carbohydrates, the most abundant biomolecules, have diverse physicochemical properties owing to their inherent three-dimensional structures, hydrogen bonding, and molecular recognition abilities. In this regard, oligosaccharides and their derivatives have been utilized for the bioavailability enhancement of hydrophobic drugs via increasing the solubility or stability. By extension, polysaccharides and their derivatives can form self-assembled architectures with poorly soluble drugs and have shown increased bioavailability in terms of the sustained or controlled drug release. These supramolecular systems using carbohydrate will be developed consistently in the field of pharmaceutical and medical application.

  3. CO2 Solubilities in Amide-based Brφnsted Acidic Ionic Liquids

    International Nuclear Information System (INIS)

    Palgunadi, Jelliarko; Im, Jin Kyu; Kang, Je Eun; Kim, Hoon Sik; Cheong, Min Serk

    2010-01-01

    A distinguished class of hydrophobic ionic liquids bearing a Brφnsted acidic character derived from amide-like compounds were prepared by a neutralization reaction of N,N-diethylformamide, N,N-dibutylformamide, 1-formylpiperidine, and ε-caprolactam with trifluoroacetic acid and physical absorptions of CO 2 in these ionic liquids were demonstrated and evaluated. CO 2 solubilities in these ionic liquids were influenced by the molecular structure of the cation and were apparently increased with the molar volume. Comparison based on a volume unit reveals that CO 2 solubilities in these liquids are relatively higher than those in imidazolium-based ionic liquids. Henry's coefficients calculated from low-pressure solubility tests at 313 to 333 K were used to derive the thermodynamics quantities. Enthalpy and entropy of solvation may share equal contributions in solubility

  4. Hydrothermal synthetic strategies of inorganic semiconducting nanostructures.

    Science.gov (United States)

    Shi, Weidong; Song, Shuyan; Zhang, Hongjie

    2013-07-07

    Because of their unique chemical and physical properties, inorganic semiconducting nanostructures have gradually played a pivotal role in a variety of research fields, including electronics, chemical reactivity, energy conversion, and optics. A major feature of these nanostructures is the quantum confinement effect, which strongly depends on their size, shape, crystal structure and polydispersity. Among all developed synthetic methods, the hydrothermal method based on a water system has attracted more and more attention because of its outstanding advantages, such as high yield, simple manipulation, easy control, uniform products, lower air pollution, low energy consumption and so on. Precise control over the hydrothermal synthetic conditions is a key to the success of the preparation of high-quality inorganic semiconducting nanostructures. In this review, only the representative hydrothermal synthetic strategies of inorganic semiconducting nanostructures are selected and discussed. We will introduce the four types of strategies based on exterior reaction system adjustment, namely organic additive- and template-free hydrothermal synthesis, organic additive-assisted hydrothermal synthesis, template-assisted hydrothermal synthesis and substrate-assisted hydrothermal synthesis. In addition, the two strategies based on exterior reaction environment adjustment, including microwave-assisted and magnetic field-assisted hydrothermal synthesis, will be also described. Finally, we conclude and give the future prospects of this research area.

  5. Inorganic particle analysis of dental impression elastomers.

    Science.gov (United States)

    Carlo, Hugo Lemes; Fonseca, Rodrigo Borges; Soares, Carlos José; Correr, Américo Bortolazzo; Correr-Sobrinho, Lourenço; Sinhoreti, Mário Alexandre Coelho

    2010-01-01

    The aim of this study was to determine quantitatively and qualitatively the inorganic particle fraction of commercially available dental elastomers. The inorganic volumetric fraction of two addition silicones (Reprosil Putty/Fluid and Flexitime Easy Putty/Fluid), three condensation silicones (Clonage Putty/Fluid, Optosil Confort/Xantopren VL and Silon APS Putty/Fluid), one polyether (Impregum Soft Light Body) and one polysulfide (Permlastic Light Body) was accessed by weighing a previously determined mass of each material in water before and after burning samples at 600 ºC, during 3 h. Unsettled material samples were soaked in acetone and chloroform for removal of the organic portion. The remaining filler particles were sputter-coated with gold evaluation of their morphology and size, under scanning electron microscopy (SEM). Flexitime Easy Putty was the material with the highest results for volumetric particle fraction, while Impregum Soft had the lowest values. Silon 2 APS Fluid presented the lowest mean filler size values, while Clonage Putty had the highest values. SEM micrographs of the inorganic particles showed several morphologies - lathe-cut, spherical, spherical-like, sticks, and sticks mixed to lathe-cut powder. The results of this study revealed differences in particle characteristics among the elastometic materials that could lead to different results when testing mechanical properties.

  6. Determination of soluble protein contents from RVNRL

    International Nuclear Information System (INIS)

    Wan Manshol Wan Zin; Nurulhuda Othman

    1996-01-01

    This project was carried out to determine the soluble protein contents on RVNRL film vulcanisates, with respect to the RVNRL storage time, gamma irradiation dose absorbed by the latex and the effect of different leaching time and leaching conditions. These three factors are important in the hope to determine the best possible mean of minimizing the soluble protein contents in products made from RVNRL. Within the nine months storage period employed in the study, the results show that, the longer the storage period the less the soluble protein extracted from the film samples. Gamma irradiation dose absorbed by the samples, between 5.3 kGy to 25.2 kGy seems to influence the soluble protein contents of the RVNRL films vulcanisates. The higher the dose the more was the soluble protein extracted from the film samples. At an absorbed dose of 5.3 kGy and 25.2 kGy, the soluble contents were 0. 198 mg/ml and 0.247 mg/ml respectively. At a fixed leaching temperature, the soluble proteins increases with leaching time and at a fixed leaching time, the soluble proteins increases with leaching temperature. ne highest extractable protein contents was determined at a leaching time of 10 minutes and leaching temperature of 90'C The protein analysis were done by using Modified Lowry Method

  7. Solubility Study of Curatives in Various Rubbers

    NARCIS (Netherlands)

    Guo, R.; Talma, Auke; Datta, Rabin; Dierkes, Wilma K.; Noordermeer, Jacobus W.M.

    2008-01-01

    The previous works on solubility of curatives in rubbers were mainly carried out in natural rubber. Not too much information available on dissimilar rubbers and this is important because most of the compounds today are blends of dissimilar rubbers. Although solubility can be expected to certain

  8. Solubility Products of M(II) - Carbonates

    International Nuclear Information System (INIS)

    Grauer, Rolf; Berner, Urs

    1999-01-01

    Many solubility data for M(II) carbonates commonly compiled in tables are contradictory and sometimes obviously wrong. The quality of such data has been evaluated based on the original publications and reliable solubility constants have been selected for the carbonates of Mn, Fe, Co, Ni, Cu, Zn, Cd and Pb with the help of cross-comparisons. (author)

  9. Hansen Solubility Parameters for Octahedral Oligomeric Silsesquioxanes

    Science.gov (United States)

    2012-08-28

    1997, 80, 386-&. 5. Hansen, C. M. The three-dimensional solubility parameter -- key to paint component affinities I. J. Paint Technol. 1967, 39, 104...Chai, J.; Zhang, Q. X.; Han, D. X.; Niu, L. Synthesis and Application of Widely Soluble Graphene Sheets. Langmuir 2010, 26, 12314-12320. 12. Hansen, C

  10. A Colorful Solubility Exercise for Organic Chemistry

    Science.gov (United States)

    Shugrue, Christopher R.; Mentzen, Hans H., II; Linton, Brian R.

    2015-01-01

    A discovery chemistry laboratory has been developed for the introductory organic chemistry student to investigate the concepts of polarity, miscibility, solubility, and density. The simple procedure takes advantage of the solubility of two colored dyes in a series of solvents or solvent mixtures, and the diffusion of colors can be easily…

  11. The amorphous solid dispersion of the poorly soluble ABT-102 forms nano/microparticulate structures in aqueous medium: impact on solubility

    Directory of Open Access Journals (Sweden)

    Frank KJ

    2012-11-01

    Full Text Available Kerstin J Frank,1,3 Ulrich Westedt,2 Karin M Rosenblatt,2 Peter Hölig,2 Jörg Rosenberg,2 Markus Mägerlein,2 Gert Fricker,3 Martin Brandl11Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense, Denmark; 2Abbott GmbH and Co. KG, Ludwigshafen, Germany; 3Department of Pharmaceutical Technology, University of Heidelberg, Heidelberg, GermanyAbstract: Amorphous solid dispersions (ASDs are a promising formulation approach for poorly soluble active pharmaceutical ingredients (APIs, because they ideally enhance both dissolution rate and solubility. However, the mechanism behind this is not understood in detail. In the present study, we investigated the supramolecular and the nano/microparticulate structures that emerge spontaneously upon dispersion of an ASD in aqueous medium and elucidated their influence on solubility. The ASD, prepared by hot melt extrusion, contained the poorly soluble ABT-102 (solubility in buffer, 0.05 µg/mL, a hydrophilic polymer, and three surfactants. The apparent solubility of ABT-102 from the ASD-formulation was enhanced up to 200 times in comparison to crystalline ABT-102. At the same time, the molecular solubility, as assessed by inverse equilibrium dialysis, was enhanced two times. Asymmetrical flow field-flow fractionation in combination with a multiangle light-scattering detector, an ultraviolet detector, and a refractometer enabled us to separate and identify the various supramolecular assemblies that were present in the aqueous dispersions of the API-free ASD (placebo and of binary/ternary blends of the ingredients. Thus, the supramolecular assemblies with a molar mass between 20,000 and 90,000 could be assigned to the polyvinylpyrrolidone/vinyl acetate 64, while two other kinds of assemblies were assigned to different surfactant assemblies (micelles. The amount of ABT-102 remaining associated with each of the assemblies upon fractionation was quantified offline with high

  12. Protein solubility and folding enhancement by interaction with RNA.

    Directory of Open Access Journals (Sweden)

    Seong Il Choi

    Full Text Available While basic mechanisms of several major molecular chaperones are well understood, this machinery has been known to be involved in folding of only limited number of proteins inside the cells. Here, we report a chaperone type of protein folding facilitated by interaction with RNA. When an RNA-binding module is placed at the N-terminus of aggregation-prone target proteins, this module, upon binding with RNA, further promotes the solubility of passenger proteins, potentially leading to enhancement of proper protein folding. Studies on in vitro refolding in the presence of RNA, coexpression of RNA molecules in vivo and the mutants with impaired RNA binding ability suggests that RNA can exert chaperoning effect on their bound proteins. The results suggest that RNA binding could affect the overall kinetic network of protein folding pathway in favor of productive folding over off-pathway aggregation. In addition, the RNA binding-mediated solubility enhancement is extremely robust for increasing soluble yield of passenger proteins and could be usefully implemented for high-throughput protein expression for functional and structural genomic research initiatives. The RNA-mediated chaperone type presented here would give new insights into de novo folding in vivo.

  13. Polyelectrolyte microcapsules for sustained delivery of water-soluble drugs

    Energy Technology Data Exchange (ETDEWEB)

    Anandhakumar, S.; Debapriya, M. [Department of Materials Engineering, Indian Institute of Science, Bangalore, 560012 (India); Nagaraja, V. [Department of Microbiology and Cell Biology, Indian Institute of Science, Bangalore, 560012 (India); Raichur, Ashok M., E-mail: amr@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore, 560012 (India)

    2011-03-12

    Polyelectrolyte capsules composed of weak polyelectrolytes are introduced as a simple and efficient system for spontaneous encapsulation of low molecular weight water-soluble drugs. Polyelectrolyte capsules were prepared by layer-by-layer (LbL) assembling of weak polyelectrolytes, poly(allylamine hydrochloride) (PAH) and poly(methacrylic acid) (PMA) on polystyrene sulfonate (PSS) doped CaCO{sub 3} particles followed by core removal with ethylene-diaminetetraacetic acid (EDTA). The loading process was observed by confocal laser scanning microscopy (CLSM) using tetramethylrhodamineisothiocyanate labeled dextran (TRITC-dextran) as a fluorescent probe. The intensity of fluorescent probe inside the capsule decreased with increase in cross-linking time. Ciprofloxacin hydrochloride (a model water-soluble drug) was spontaneously deposited into PAH/PMA capsules and their morphological changes were investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The quantitative study of drug loading was also elucidated which showed that drug loading increased with initial drug concentration, but decreased with increase in pH. The loaded drug was released in a sustained manner for 6 h, which could be further extended by cross-linking the capsule wall. The released drug showed significant antibacterial activity against E. coli. These findings indicate that such capsules can be potential carriers for water-soluble drugs in sustained/controlled drug delivery applications.

  14. Nootkatone encapsulation by cyclodextrins: Effect on water solubility and photostability.

    Science.gov (United States)

    Kfoury, Miriana; Landy, David; Ruellan, Steven; Auezova, Lizette; Greige-Gerges, Hélène; Fourmentin, Sophie

    2017-12-01

    Nootkatone (NO) is a sesquiterpenoid volatile flavor, used in foods, cosmetics and pharmaceuticals, possessing also insect repellent activity. Its application is limited because of its low aqueous solubility and stability; this could be resolved by encapsulation in cyclodextrins (CDs). This study evaluated the encapsulation of NO by CDs using phase solubility studies, Isothermal Titration Calorimetry, Nuclear Magnetic Resonance spectroscopy and molecular modeling. Solid CD/NO inclusion complex was prepared and characterized for encapsulation efficiency and loading capacity using UV-Visible. Thermal properties were investigated by thermogravimetric-differential thermal analysis and release studies were performed using multiple headspace extraction. Formation constants (K f ) proved the formation of stable inclusion complexes. NO aqueous solubility, photo- and thermal stability were enhanced and the release could be insured from solid complex in aqueous solution. This suggests that CDs are promising carrier to improve NO properties and, consequently, to enlarge its use in foods, cosmetics, pharmaceuticals and agrochemicals preparations. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Polyelectrolyte microcapsules for sustained delivery of water-soluble drugs

    International Nuclear Information System (INIS)

    Anandhakumar, S.; Debapriya, M.; Nagaraja, V.; Raichur, Ashok M.

    2011-01-01

    Polyelectrolyte capsules composed of weak polyelectrolytes are introduced as a simple and efficient system for spontaneous encapsulation of low molecular weight water-soluble drugs. Polyelectrolyte capsules were prepared by layer-by-layer (LbL) assembling of weak polyelectrolytes, poly(allylamine hydrochloride) (PAH) and poly(methacrylic acid) (PMA) on polystyrene sulfonate (PSS) doped CaCO 3 particles followed by core removal with ethylene-diaminetetraacetic acid (EDTA). The loading process was observed by confocal laser scanning microscopy (CLSM) using tetramethylrhodamineisothiocyanate labeled dextran (TRITC-dextran) as a fluorescent probe. The intensity of fluorescent probe inside the capsule decreased with increase in cross-linking time. Ciprofloxacin hydrochloride (a model water-soluble drug) was spontaneously deposited into PAH/PMA capsules and their morphological changes were investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The quantitative study of drug loading was also elucidated which showed that drug loading increased with initial drug concentration, but decreased with increase in pH. The loaded drug was released in a sustained manner for 6 h, which could be further extended by cross-linking the capsule wall. The released drug showed significant antibacterial activity against E. coli. These findings indicate that such capsules can be potential carriers for water-soluble drugs in sustained/controlled drug delivery applications.

  16. Organic-inorganic semiconductor devices and 3, 4, 9, 10 perylenetetracarboxylic dianhydride: an early history of organic electronics

    International Nuclear Information System (INIS)

    Forrest, S R

    2003-01-01

    The demonstration, over 20 years ago, of an organic-inorganic heterojunction (OI HJ) device along with investigations of the growth and physical properties of the archetypal crystalline molecular organic semiconductor 3, 4, 9, 10 perylenetetracarboxylic dianhydride are discussed. Possible applications of OI HJ devices are introduced and the dramatic change in conductive properties of these materials when exposed to high-energy ion beams is described. The past and future prospects for hybrid organic-on-inorganic semiconductor structures for use in electronic and photonic applications are also presented

  17. Indomethacin solubility estimation in 1,4-dioxane + water mixtures by the extended hildebrand solubility approach

    Directory of Open Access Journals (Sweden)

    Miller A Ruidiaz

    2011-09-01

    Full Text Available Extended Hildebrand Solubility Approach (EHSA was successfully applied to evaluate the solubility of Indomethacin in 1,4-dioxane + water mixtures at 298.15 K. An acceptable correlation-performance of EHSA was found by using a regular polynomial model in order four of the W interaction parameter vs. solubility parameter of the mixtures (overall deviation was 8.9%. Although the mean deviation obtained was similar to that obtained directly by means of an empiric regression of the experimental solubility vs. mixtures solubility parameters, the advantages of EHSA are evident because it requires physicochemical properties easily available for drugs.

  18. Selection of inorganic-based fertilizers in forward osmosis for water desalination

    Directory of Open Access Journals (Sweden)

    Tripti Mishra

    2015-06-01

    Full Text Available The current study aims at the selection of an appropriate draw solute for forward osmosis process. Separation and recovery of the draw solute are the major criteria for the selection of draw solute for forward osmosis process. Therefore in this investigation six inorganic fertilizers draws solute were selected. The selections of inorganic fertilizers as draw solute eliminate the need of removal and recovery of draw solute from the final product. The final product water of forward osmosis process has direct application in agricultural as nutrient rich water for irrigation. These inorganic fertilizers were tested based on their water extraction (water flux capacity. This experimental water flux was compared with the observed water flux. It was noted that the observed water flux is much higher than the attained experimental water flux. The difference of these two fluxes was used to calculate the performance ratio of each selected fertilizer. Highest performance ratio was shown by low molecular weight compound ammonium nitrate (22.73 and potassium chloride (21.03 at 1 M concentration, whereas diammonium phosphate (DAP which has highest molecular weight among all the selected fertilizer show the lowest performance ratio (10.02 at 2 M concentration. DOI: http://dx.doi.org/10.3126/ije.v4i2.12660 International Journal of Environment Vol.4(2 2015: 319-329

  19. Towards improved solubility of poorly water-soluble drugs: cryogenic co-grinding of piroxicam with carrier polymers.

    Science.gov (United States)

    Penkina, Anna; Semjonov, Kristian; Hakola, Maija; Vuorinen, Sirpa; Repo, Timo; Yliruusi, Jouko; Aruväli, Jaan; Kogermann, Karin; Veski, Peep; Heinämäki, Jyrki

    2016-01-01

    Amorphous solid dispersions (SDs) open up exciting opportunities in formulating poorly water-soluble active pharmaceutical ingredients (APIs). In the present study, novel catalytic pretreated softwood cellulose (CPSC) and polyvinylpyrrolidone (PVP) were investigated as carrier polymers for preparing and stabilizing cryogenic co-ground SDs of poorly water-soluble piroxicam (PRX). CPSC was isolated from pine wood (Pinus sylvestris). Raman and Fourier transform infrared (FTIR) spectroscopy, X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) were used for characterizing the solid-state changes and drug-polymer interactions. High-resolution scanning electron microscope (SEM) was used to analyze the particle size and surface morphology of starting materials and final cryogenic co-ground SDs. In addition, the molecular aspects of drug-polymer interactions and stabilization mechanisms are presented. The results showed that the carrier polymer influenced both the degree of amorphization of PRX and stabilization against crystallization. The cryogenic co-ground SDs prepared from PVP showed an enhanced dissolution rate of PRX, while the corresponding SDs prepared from CPSC exhibited a clear sustained release behavior. In conclusion, cryogenic co-grinding provides a versatile method for preparing amorphous SDs of poorly water-soluble APIs. The solid-state stability and dissolution behavior of such co-ground SDs are to a great extent dependent on the carrier polymer used.

  20. Fluorescent Water Soluble Polymers for Isozyme-Selective Interactions with Matrix Metalloproteinase-9

    Science.gov (United States)

    Dutta, Rinku; Scott, Michael D.; Haldar, Manas K.; Ganguly, Bratati; Srivastava, D. K.; Friesner, Daniel L.; Mallik, Sanku

    2011-01-01

    Matrix metalloproteinases (MMPs) are overexpressed in various pathological conditions, including various cancers. Although these isozymes have similar active sites, the patterns of exposed amino acids on their surfaces are different. Herein, we report the synthesis and molecular interactions of two water-soluble, fluorescent polymers which demonstrate selective interactions with MMP-9 compared to MMP-7 and -10. PMID:21367603

  1. AIRWAY RETENTION OF MATERIALS OF DIFFERENT SOLUBILITY FOLLOWING LOCAL INTRABRONCHIAL DEPOSITION IN DOGS

    Science.gov (United States)

    We used a gamma camera to monitor the retention and clearance of radiolabeled human serum albumin (HSA), a water-soluble material with molecular weight of 66,000 Daltons, and radiolabeled sulfur colloid (SC), an insoluble submicron (0.22 microm) particle, following localized depo...

  2. Ficolins and FIBCD1: Soluble and membrane bound pattern recognition molecules with acetyl group selectivity

    DEFF Research Database (Denmark)

    Thomsen, Theresa; Schlosser, Anders; Holmskov, Uffe

    2011-01-01

    as pattern recognition molecules. Ficolins are soluble oligomeric proteins composed of trimeric collagen-like regions linked to fibrinogen-related domains (FReDs) that have the ability to sense molecular patterns on both pathogens and apoptotic cell surfaces and activate the complement system. The ficolins......D-containing molecules, and discusses structural resemblance but also diversity in recognition of acetylated ligands....

  3. Effects of Toasting Time on Digestive Hydrolysis of Soluble and Insoluble 00-Rapeseed Meal Proteins

    NARCIS (Netherlands)

    Salazar-Villanea, Sergio; Bruininx, Erik M.A.M.; Gruppen, Harry; Carré, Patrick; Quinsac, Alain; Poel, van der Thomas

    2017-01-01

    Thermal damage to proteins can reduce their nutritional value. The effects of toasting time on the kinetics of hydrolysis, the resulting molecular weight distribution of 00-rapeseed meal (RSM) and the soluble and insoluble protein fractions separated from the RSM were studied. Hydrolysis was

  4. Hygroscopic growth of water soluble organic carbon isolated from atmospheric aerosol collected at US national parks and Storm Peak Laboratory

    Science.gov (United States)

    Taylor, Nathan F.; Collins, Don R.; Lowenthal, Douglas H.; McCubbin, Ian B.; Gannet Hallar, A.; Samburova, Vera; Zielinska, Barbara; Kumar, Naresh; Mazzoleni, Lynn R.

    2017-02-01

    Due to the atmospheric abundance and chemical complexity of water soluble organic carbon (WSOC), its contribution to the hydration behavior of atmospheric aerosol is both significant and difficult to assess. For the present study, the hygroscopicity and CCN activity of isolated atmospheric WSOC particulate matter was measured without the compounding effects of common, soluble inorganic aerosol constituents. WSOC was extracted with high purity water from daily high-volume PM2.5 filter samples and separated from water soluble inorganic constituents using solid-phase extraction. The WSOC filter extracts were concentrated and combined to provide sufficient mass for continuous generation of the WSOC-only aerosol over the combined measurement time of the tandem differential mobility analyzer and coupled scanning mobility particle sizer-CCN counter used for the analysis. Aerosol samples were taken at Great Smoky Mountains National Park during the summer of 2006 and fall-winter of 2007-2008; Mount Rainier National Park during the summer of 2009; Storm Peak Laboratory (SPL) near Steamboat Springs, Colorado, during the summer of 2010; and Acadia National Park during the summer of 2011. Across all sampling locations and seasons, the hygroscopic growth of WSOC samples at 90 % RH, expressed in terms of the hygroscopicity parameter, κ, ranged from 0.05 to 0.15. Comparisons between the hygroscopicity of WSOC and that of samples containing all soluble materials extracted from the filters implied a significant modification of the hydration behavior of inorganic components, including decreased hysteresis separating efflorescence and deliquescence and enhanced water uptake between 30 and 70 % RH.

  5. Improving the Carprofen Solubility: Synthesis of the Zn2Al-LDH Hybrid Compound.

    Science.gov (United States)

    Capsoni, Doretta; Quinzeni, Irene; Bruni, Giovanna; Friuli, Valeria; Maggi, Lauretta; Bini, Marcella

    2018-01-01

    The development of efficient strategies for drug delivery is considerably desired. Indeed, often several issues such as the drug solubility, the control of the drug release rate, the targeted delivery of drugs, the drug bioavailability, and the minimization of secondary effects still present great obstacles. Different methodologies have been proposed, but the use of nano-hybrids compounds that combine organic and inorganic substances seems particularly promising. An interesting inorganic host is the layered double hydroxide (LDH) with a sheets structure and formula [M 2+ 1-x M 3+ x (OH) 2 ](A n- ) x/n yH 2 O (M 2+  = Zn, Mg; M 3+  = Al; A n-  = nitrates, carbonates, chlorides). The possibility to exchange these counterions with drug molecules makes these systems ideal candidates for the drug delivery. In this article, we synthesize by co-precipitation method the hybrid compound Carprofen-Zn 2 Al-LDH. Carprofen, a poorly soluble anti-inflammatory drug, could also benefit of the association with a natural antacid such as LDH, to reduce the gastric irritation after its administration. Through X-ray diffraction and Fourier-transformed infrared spectroscopy (FT-IR), we could verify the effective drug intercalation into LDH. The dissolution tests clearly demonstrate a significant improvement of the drug release rate when carprofen is in the form of hybrid compound. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  6. Serum Soluble Corin is Decreased in Stroke.

    Science.gov (United States)

    Peng, Hao; Zhu, Fangfang; Shi, Jijun; Han, Xiujie; Zhou, Dan; Liu, Yan; Zhi, Zhongwen; Zhang, Fuding; Shen, Yun; Ma, Juanjuan; Song, Yulin; Hu, Weidong

    2015-07-01

    Soluble corin was decreased in coronary heart disease. Given the connections between cardiac dysfunction and stroke, circulating corin might be a candidate marker of stroke risk. However, the association between circulating corin and stroke has not yet been studied in humans. Here, we aimed to examine the association in patients wtith stroke and community-based healthy controls. Four hundred eighty-one patients with ischemic stroke, 116 patients with hemorrhagic stroke, and 2498 healthy controls were studied. Serum soluble corin and some conventional risk factors of stroke were examined. Because circulating corin was reported to be varied between men and women, the association between serum soluble corin and stroke was evaluated in men and women, respectively. Patients with ischemic and hemorrhagic stroke had a significantly lower level of serum soluble corin than healthy controls in men and women (all P values, stroke than men in the highest quartile. Women in the lowest quartile of serum soluble corin were also more likely to have ischemic (OR, 3.10; 95% confidence interval, 1.76-5.44) and hemorrhagic (OR, 8.54; 95% confidence interval, 2.35-31.02) stroke than women in the highest quartile. ORs of ischemic and hemorrhagic stroke were significantly increased with the decreasing levels of serum soluble corin in men and women (all P values for trend, stroke compared with healthy controls. Our findings raise the possibility that serum soluble corin may have a pathogenic role in stroke. © 2015 American Heart Association, Inc.

  7. Study on low level radioactive wastewater treatment by inorganic membrane permeation combined with complexation

    International Nuclear Information System (INIS)

    Li Junfeng; Wang Jianlong; Bai Qinzhong

    2007-01-01

    Inorganic membranes exhibit greater mechanical durability in some operations than polymeric membranes. They do not suffer from the performance degradation that was resulted from compaction of the membrane structure under pressure or ageing. Membrane permeation combined with complexation was tested for radioactive wastes processing purpose. Sodium poly-acrylic acid was selected as the complexing agent, the efficiency of inorganic membrane with cut-off 1kD, 3kD, 8kD assisted by sodium poly-acrylic acid of different molecular weight were compared. The removal efficiencies of nuclides such as strontium, cesium and cobalt by were compared. The flux and retention factors of different membrane system were compared. The impacts of complexation agent concentration on permeate flux retention factors were studied. The long term behaviours of the membrane system were also studied. Diatomite filter was selected as the pretreatment method, and the efficiency of diatomite filter for pretreatment was investigated also. (author)

  8. 2013 Gordon Research Conference, Inorganic reaction mechanisms, Galveston, TX, March 3-8 2013

    Energy Technology Data Exchange (ETDEWEB)

    Abu-Omar, Mahdi M. [Purdue Univ., West Lafayette, IN (United States)

    2012-12-08

    The 2013 Gordon Conference on Inorganic Reaction Mechanisms will present cutting-edge research on the molecular aspects of inorganic reactions involving elements from throughout the periodic table and state-of-the art techniques that are used in the elucidation of reaction mechanisms. The Conference will feature a wide range of topics, such as homogeneous and heterogeneous catalysis, metallobiochemistry, electron-transfer in energy reactions, polymerization, nitrogen fixation, green chemistry, oxidation, solar conversion, alkane functionalization, organotransition metal chemistry, and computational chemistry. The talks will cover themes of current interest including energy, materials, and bioinorganic chemistry. Sections cover: Electron-Transfer in Energy Reactions; Catalytic Polymerization and Oxidation Chemistry; Kinetics and Spectroscopy of Heterogeneous Catalysts; Metal-Organic Chemistry and its Application in Synthesis; Green Energy Conversion;Organometallic Chemistry and Activation of Small Molecules; Advances in Kinetics Modeling and Green Chemistry; Metals in Biology and Disease; Frontiers in Catalytic Bond Activation and Cleavage.

  9. Recent Progress in the Development of Supercritical Carbon Dioxide-Soluble Metal Ion Extractants: Aggregation, Extraction, and Solubility Properties of Silicon-Substituted Alkylenediphosphonic Acids

    Energy Technology Data Exchange (ETDEWEB)

    Dietz, Mark L.; McAlister, Daniel R.; Stepinski, Dominique C.; Zalupski, Peter R.; Dzilawa, Julie A.; Barrans, Richard E.; Hess, J.N.; Rubas, Audris V.; Chiarizia, Renato; Lubbers, Christopher M.; Scurto, Aaron M.; Brennecke, Joan F.; Herlinger, Albert W.

    2003-09-11

    Partially esterified alkylenediphosphonic acids (DPAs) have been shown to be effective reagents for the extraction of actinide ions from acidic aqueous solution into conventional organic solvents. Efforts to employ these compounds in supercritical fluid extraction have been hampered by their modest solubility in unmodified supercritical carbon dioxide (SC-CO2). In an effort to design DPAs that are soluble in SC-CO2, a variety of silicon-substituted alkylenediphosphonic acids have been prepared and characterized, and their behavior compared with that of conventional alkyl-substituted reagents. Silicon substitution is shown to enhance the CO2-philicity of the reagents, while other structural features, in particular, the number of methylene groups bridging the phosphorus atoms of the extractant, are shown to exert a significant influence on their aggregation and extraction properties. The identification of DPAs combining desirable extraction properties with adequate solubility in SC-CO2 is shown to be facilitated by the application of molecular connectivity indices.

  10. Solubilities of uranium for TILA-99

    International Nuclear Information System (INIS)

    Ollila, K.; Ahonen, L.

    1998-11-01

    This report presents the evaluation of the uranium solubilities in the reference waters of TILA-99. The behaviour of uranium has been discussed separately in the near-field and far-field conditions. The bentonite/groundwater interactions have been considered in the compositions of the fresh and saline near-field reference waters. The far-field groundwaters' compositions include fresh, brackish, saline and very saline, almost brine-type compositions. The pH and redox conditions, as the main parameters affecting the solubilities, are considered. A literature study was made in order to obtain information on the recent dissolution and leaching experiments of UO 2 and spent fuel. The latest literature includes studies on UO 2 solubility under anoxic conditions, in which the methods for simulating the reducing conditions of deep groundwater have been improved. Studies on natural uraninite and its alteration products give a valuable insight into the long-term behaviour of spent fuel. Also the solubility equilibria for some relevant poorly known uranium minerals have been determined. The solubilities of the selected solubility-limiting phases were calculated using the geochemical code, EQ3/6. The NEA database for uranium was the basis for the modelling. The recently extended and updated SR '97 database was used for comparison. The solubility products for uranophane were taken from the latest literature. The recommended values for solubilities were given after a comparison between the calculated solubilities, experimental information and measured concentrations in natural groundwaters. The experiments include several UO 2 dissolution studies in synthetic groundwaters with compositions close to the reference groundwaters. (author)

  11. Solubilities of uranium for TILA-99

    Energy Technology Data Exchange (ETDEWEB)

    Ollila, K. [VTT Chemical Technology, Espoo (Finland); Ahonen, L. [Geological Survey of Finland, Espoo (Finland)

    1998-11-01

    This report presents the evaluation of the uranium solubilities in the reference waters of TILA-99. The behaviour of uranium has been discussed separately in the near-field and far-field conditions. The bentonite/groundwater interactions have been considered in the compositions of the fresh and saline near-field reference waters. The far-field groundwaters` compositions include fresh, brackish, saline and very saline, almost brine-type compositions. The pH and redox conditions, as the main parameters affecting the solubilities, are considered. A literature study was made in order to obtain information on the recent dissolution and leaching experiments of UO{sub 2} and spent fuel. The latest literature includes studies on UO{sub 2} solubility under anoxic conditions, in which the methods for simulating the reducing conditions of deep groundwater have been improved. Studies on natural uraninite and its alteration products give a valuable insight into the long-term behaviour of spent fuel. Also the solubility equilibria for some relevant poorly known uranium minerals have been determined. The solubilities of the selected solubility-limiting phases were calculated using the geochemical code, EQ3/6. The NEA database for uranium was the basis for the modelling. The recently extended and updated SR `97 database was used for comparison. The solubility products for uranophane were taken from the latest literature. The recommended values for solubilities were given after a comparison between the calculated solubilities, experimental information and measured concentrations in natural groundwaters. The experiments include several UO{sub 2} dissolution studies in synthetic groundwaters with compositions close to the reference groundwaters. (author) 81 refs.

  12. Solubility limited radionuclide transport through geologic media

    International Nuclear Information System (INIS)

    Muraoka, Susumu; Iwamoto, Fumio; Pigford, T.H.

    1980-11-01

    Prior analyses for the migration of radionuclides neglect solubility limits of resolved radionuclide in geologic media. But actually some of the actinides may appear in chemical forms of very low solubility. In the present report we have proposed the migration model with no decay parents in which concentration of radionuclide is limited in concentration of solubility in ground water. In addition, the analytical solutions of the space-time-dependent concentration are presented in the case of step release, band release and exponential release. (author)

  13. Residual nilpotence and residual solubility of groups

    International Nuclear Information System (INIS)

    Mikhailov, R V

    2005-01-01

    The properties of the residual nilpotence and the residual solubility of groups are studied. The main objects under investigation are the class of residually nilpotent groups such that each central extension of these groups is also residually nilpotent and the class of residually soluble groups such that each Abelian extension of these groups is residually soluble. Various examples of groups not belonging to these classes are constructed by homological methods and methods of the theory of modules over group rings. Several applications of the theory under consideration are presented and problems concerning the residual nilpotence of one-relator groups are considered.

  14. Water Soluble Polymers for Pharmaceutical Applications

    Directory of Open Access Journals (Sweden)

    Veeran Gowda Kadajji

    2011-11-01

    Full Text Available Advances in polymer science have led to the development of novel drug delivery systems. Some polymers are obtained from natural resources and then chemically modified for various applications, while others are chemically synthesized and used. A large number of natural and synthetic polymers are available. In the present paper, only water soluble polymers are described. They have been explained in two categories (1 synthetic and (2 natural. Drug polymer conjugates, block copolymers, hydrogels and other water soluble drug polymer complexes have also been explained. The general properties and applications of different water soluble polymers in the formulation of different dosage forms, novel delivery systems and biomedical applications will be discussed.

  15. Magnetic field processing of inorganic polymers

    Energy Technology Data Exchange (ETDEWEB)

    Kunerth, D.C.; Peterson, E.S. [Idaho National Engineering Laboratory, Idaho Falls, ID (United States)

    1995-05-01

    The purpose of this project is to investigate, understand, and demonstrate the use of magnetic field processing (MFP) to modify the properties of inorganic-based polymers and to develop the basic technical knowledge required for industrial implementation. Polyphosphazene membranes for chemical separation applications are being emphasized by this project. Previous work demonstrated that magnetic fields, appropriately applied during processing, can be used to beneficially modify membrane morphology. MFP membranes have significantly increased flux capabilities while maintaining the same chemical selectivity as the unprocessed membranes.

  16. Studies on inorganic exchangers - polyantimonic acid

    International Nuclear Information System (INIS)

    Murthy, T.S.; Balasubramanian, K.R.; Ananthakrishnan, M.; Ramani, K.S.; Varma, R.N.

    1976-01-01

    From the detailed experimental investigations carried out, it may be mentioned that the inorganic exchanger polyantimonic acid could be used for effectively separating strontium from fission product waste solutions free from caesium and zirconium at acidities of the order of 2M or so. After thorough washing of the column with 2M HNO 3 acid to remove any residual activity unadsorbed, the strontium can be eluted with a mixture of 1M AgNO 3 +6M HNO 3 at room temperature. The column after regeneration and conditioning can be used for further adsorption and elution up to a maximum of 6 cycles without much deterioration in column characteristics. (author)

  17. Designing an optimally proportional inorganic scintillator

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Jai, E-mail: jai.singh@cdu.edu.au [School of Engineering and IT, B-Purple-12, Faculty of EHSE, Charles Darwin University, NT 0909 (Australia); Koblov, Alexander [School of Engineering and IT, B-Purple-12, Faculty of EHSE, Charles Darwin University, NT 0909 (Australia)

    2012-09-01

    The nonproportionality observed in the light yield of inorganic scintillators is studied theoretically as a function of the rates of bimolecular and Auger quenching processes occurring within the electron track initiated by a gamma- or X-ray photon incident on a scintillator. Assuming a cylindrical track, the influence of the track radius and concentration of excitations created within the track on the scintillator light yield is also studied. Analysing the calculated light yield a guideline for inventing an optimally proportional scintillator with optimal energy resolution is presented.

  18. Designing an optimally proportional inorganic scintillator

    International Nuclear Information System (INIS)

    Singh, Jai; Koblov, Alexander

    2012-01-01

    The nonproportionality observed in the light yield of inorganic scintillators is studied theoretically as a function of the rates of bimolecular and Auger quenching processes occurring within the electron track initiated by a gamma- or X-ray photon incident on a scintillator. Assuming a cylindrical track, the influence of the track radius and concentration of excitations created within the track on the scintillator light yield is also studied. Analysing the calculated light yield a guideline for inventing an optimally proportional scintillator with optimal energy resolution is presented.

  19. Inorganic pyrophosphatases: structural diversity serving the function

    Science.gov (United States)

    Samygina, V. R.

    2016-05-01

    The review is devoted to ubiquitous enzymes, inorganic pyrophosphatases, which are essential in all living organisms. Despite the long history of investigations, these enzymes continue to attract interest. The review focuses on the three-dimensional structures of various representatives of this class of proteins. The structural diversity, the relationship between the structure and some properties of pyrophosphatases and various mechanisms of enzyme action related to the structural diversity of these enzymes are discussed. Interactions of pyrophosphatase with other proteins and possible practical applications are considered. The bibliography includes 56 references.

  20. Inorganic nitrogen in precipitation and atmospheric sediments

    Energy Technology Data Exchange (ETDEWEB)

    Matheson, D H

    1951-01-01

    In an investigation covering 18 months, daily determinations were made of the inorganic nitrogen contained in precipitation and atmospheric sediments collected at Hamilton, Ont. The nitrogen fall for the whole period averaged 5.8 lb. N per acre per year. Sixty-one per cent of the total nitrogen was collected on 25% of the days when precipitation occurred. The balance, occurring on days without precipitation, is attributable solely to the sedimentation of dust. Ammonia nitrogen averaged 56% of the total, but the proportion for individual days varied widely.

  1. IRIS Toxicological Review of Inorganic Arsenic (Cancer) ...

    Science.gov (United States)

    EPA's Science Advisory Board (SAB) conducted a review of the scientific basis supporting the human health cancer hazard and dose-response assessment of inorganic arsenic that will appear on the Integrated Risk Information System (IRIS) database. EPA revised the assessment and is now returning the assessment to the SAB and releasing the document to the public for a focused review of EPA's responses to the SAB recommendations. This draft IRIS health assessment addresses only cancer human health effects that may result from chronic exposure to this chemical.

  2. Inorganic-whisker-reinforced polymer composites synthesis, properties and applications

    CERN Document Server

    Sun, Qiuju

    2015-01-01

    Inorganic-Whisker-Reinforced Polymer Composites: Synthesis, Properties and Applications gives a comprehensive presentation of inorganic microcrystalline fibers, or whiskers, a polymer composite filler. It covers whisker synthesis, surface modification, applications for reinforcing polymer-matrix composites, and analysis of resulting filled polymer composites. It focuses on calcium carbonate whiskers as a primary case study, introducing surface treatment methods for calcium carbonate whiskers and factors that influence them. Along with calcium carbonate, the book discusses potassium titanate and aluminum borate whiskers, which also comprise the new generation of inorganic whiskers. According to research results, composites filled by inorganic whiskers show improved strength, wear-resistance, thermal conductivity, and antistatic properties. It explains the importance of modifying polymer materials for use with inorganic whiskers and describes preparation and evaluation methods of polymers filled with inorganic ...

  3. Microporous and meso porous molecular sieves

    International Nuclear Information System (INIS)

    Araujo, Antonio Souza de

    1999-01-01

    In this work, general aspects on the microporous and mesoporous molecular sieves using inorganic sources of aluminium, silicon, phosphorous, water and structural organic templates are reviewed. The nomenclature, synthesis, structure, acidity and chemical functionality of microporous zeolites and silico alumino phosphate, besides mesoporous MCM-41 material, will be emphasized. (author)

  4. Activating the molecular spinterface

    Science.gov (United States)

    Cinchetti, Mirko; Dediu, V. Alek; Hueso, Luis E.

    2017-05-01

    The miniaturization trend in the semiconductor industry has led to the understanding that interfacial properties are crucial for device behaviour. Spintronics has not been alien to this trend, and phenomena such as preferential spin tunnelling, the spin-to-charge conversion due to the Rashba-Edelstein effect and the spin-momentum locking at the surface of topological insulators have arisen mainly from emergent interfacial properties, rather than the bulk of the constituent materials. In this Perspective we explore inorganic/molecular interfaces by looking closely at both sides of the interface. We describe recent developments and discuss the interface as an ideal platform for creating new spin effects. Finally, we outline possible technologies that can be generated thanks to the unique active tunability of molecular spinterfaces.

  5. Solubility of carbohydrates in heavy water.

    Science.gov (United States)

    Cardoso, Marcus V C; Carvalho, Larissa V C; Sabadini, Edvaldo

    2012-05-15

    The solubility of several mono-(glucose and xylose), di-(sucrose and maltose), tri-(raffinose) and cyclic (α-cyclodextrin) saccharides in H(2)O and in D(2)O were measured over a range of temperatures. The solution enthalpies for the different carbohydrates in the two solvents were determined using the vant' Hoff equation and the values in D(2)O are presented here for the first time. Our findings indicate that the replacement of H(2)O by D(2)O remarkably decreases the solubilities of the less soluble carbohydrates, such as maltose, raffinose and α-cyclodextrin. On the other hand, the more soluble saccharides, glucose, xylose, and sucrose, are practically insensitive to the H/D replacement in water. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Enhancement of Solubility and Bioavailability of Candesartan ...

    African Journals Online (AJOL)

    Purpose: To enhance the otherwise poor solubility and bioavailability of candesartan cilexetil (CDS). Methods: This ... PEG 6000-based solid dispersions showed 1st order drug release kinetics. ..... the liver due to quercetin's inhibitory effect on.

  7. An Introduction to the Understanding of Solubility.

    Science.gov (United States)

    Letcher, Trevor M.; Battino, Rubin

    2001-01-01

    Explores different solubility processes and related issues, including the second law of thermodynamics and ideal mixtures, real liquids, intermolecular forces, and solids in liquids or gases in liquids. (Contains 22 references.) (ASK)

  8. Progress in the research of neptunium solubility

    International Nuclear Information System (INIS)

    Jiang Tao; Liu Yongye; Yao Jun

    2012-01-01

    237 Np is considered a possible long-term potential threat for environment, because of its long half-life, high toxicity and its mobile nature under aerobic conditions due to the high chemical stability of its pentavalent state. Therefore 237 Np is considered as one of high-level radioactive waste and need to be disposed in deep geologic disposal repository. The dissolution behavior is an important aspect of migration research. The solubility is considered very important for high level waste geological disposal safety and environmental evaluation. The solubility determines the maximum concentration of the discharge, and then it is initial concentration of the radionuclides migration to the environment. The solubility impact directly on radionuclides migration in host rock, and can be used to predict the concentration and speciation of radionuclides in groundwater around disposal sites many years later. This paper focused on research results of the solubility, some proposals for Np dissolution chemistry research were also been suggested. (authors)

  9. Monoglyceride-based self-assembling copolymers as carriers for poorly water-soluble drugs.

    Science.gov (United States)

    Rouxhet, L; Dinguizli, M; Latere Dwan'isa, J P; Ould-Ouali, L; Twaddle, P; Nathan, A; Brewster, M E; Rosenblatt, J; Ariën, A; Préat, V

    2009-12-01

    To develop self-assembling polymers forming polymeric micelles and increasing the solubility of poorly soluble drugs, amphiphilic polymers containing a hydrophilic PEG moiety and a hydrophobic moiety derived from monoglycerides and polyethers were designed. The biodegradable copolymers were obtained via a polycondensation reaction of polyethylene glycol (PEG), monooleylglyceride (MOG) and succinic anhydride (SA). Polymers with molecular weight below 10,000 g/mol containing a minimum of 40 mol% PEG and a maximum of 10 mol% MOG self-assembled spontaneously in aqueous media upon gentle mixing. They formed particles with a diameter of 10 nm although some aggregation was evident. The critical micellar concentration varied between 3x10(-4) and 4x10(-3) g/ml, depending on the polymer. The cloud point (> or = 66 degrees C) and flocculation point (> or = 0.89 M) increased with the PEG chain length. At a 1% concentration, the polymers increased the solubility of poorly water-soluble drug candidates up to 500-fold. Drug solubility increased as a function of the polymer concentration. HPMC capsules filled with these polymers disintegrated and released model drugs rapidly. Polymer with long PEG chains had a lower cytotoxicity (MTT test) on Caco-2 cells. All of these data suggest that the object polymers, in particular PEG1000/MOG/SA (45/5/50) might be potential candidates for improving the oral biopharmaceutical performance of poorly soluble drugs.

  10. [Determination of equilibrium solubility and n-octanol/water partition coefficient of pulchinenosiden D by HPLC].

    Science.gov (United States)

    Rao, Xiao-Yong; Yin, Shan; Zhang, Guo-Song; Luo, Xiao-Jian; Jian, Hui; Feng, Yu-Lin; Yang, Shi-Lin

    2014-05-01

    To determine the equilibrium solubility of pulchinenosiden D in different solvents and its n-octanol/water partition coefficients. Combining shaking flask method and high performance liquid chromatography (HPLC) to detect the n-octanol/water partition coefficients of pulchinenosiden D, the equilibrium solubility of pulchinenosiden D in six organic solvents and different pH buffer solution were determined by HPLC analysis. n-Octanol/water partition coefficients of pulchinenosiden D in different pH were greater than zero, the equilibrium solubility of pulchinenosiden D was increased with increase the pH of the buffer solution. The maximum equilibrium solubility of pulchinenosiden D was 255.89 g x L(-1) in methanol, and minimum equilibrium solubility of pulchinenosiden D was 0.20 g x L(-1) in acetonitrile. Under gastrointestinal physiological conditions, pulchinenosiden D exists in molecular state and it has good absorption but poor water-solubility, so increasing the dissolution rate of pulchinenosiden D may enhance its bioavailability.

  11. Bio-Based Approaches to Inorganic Material Synthesis (Postprint)

    National Research Council Canada - National Science Library

    Slocik, Joseph M; Stone, Morley O; Naik, Rajesh R

    2007-01-01

    .... Marine sponges create silica spicules also using proteins, termed silicateins. In recent years, our group and others have used biomolecules as templates for the deposition of inorganic materials...

  12. Inorganic Membranes: Preparation and Application for Water Treatment and Desalination

    Science.gov (United States)

    McKay, Gordon; Buekenhoudt, Anita; Motmans, Filip; Khraisheh, Marwan; Atieh, Muataz

    2018-01-01

    Inorganic membrane science and technology is an attractive field of membrane separation technology, which has been dominated by polymer membranes. Recently, the inorganic membrane has been undergoing rapid development and innovation. Inorganic membranes have the advantage of resisting harsh chemical cleaning, high temperature and wear resistance, high chemical stability, long lifetime, and autoclavable. All of these outstanding properties made inorganic membranes good candidates to be used for water treatment and desalination applications. This paper is a state of the art review on the synthesis, development, and application of different inorganic membranes for water and wastewater treatment. The inorganic membranes reviewed in this paper include liquid membranes, dynamic membranes, various ceramic membranes, carbon based membranes, silica membranes, and zeolite membranes. A brief description of the different synthesis routes for the development of inorganic membranes for application in water industry is given and each synthesis rout is critically reviewed and compared. Thereafter, the recent studies on different application of inorganic membrane and their properties for water treatment and desalination in literature are critically summarized. It was reported that inorganic membranes despite their high synthesis cost, showed very promising results with high flux, full salt rejection, and very low or no fouling. PMID:29304024

  13. Inorganic Membranes: Preparation and Application for Water Treatment and Desalination

    Directory of Open Access Journals (Sweden)

    Ahmad Kayvani Fard

    2018-01-01

    Full Text Available Inorganic membrane science and technology is an attractive field of membrane separation technology, which has been dominated by polymer membranes. Recently, the inorganic membrane has been undergoing rapid development and innovation. Inorganic membranes have the advantage of resisting harsh chemical cleaning, high temperature and wear resistance, high chemical stability, long lifetime, and autoclavable. All of these outstanding properties made inorganic membranes good candidates to be used for water treatment and desalination applications. This paper is a state of the art review on the synthesis, development, and application of different inorganic membranes for water and wastewater treatment. The inorganic membranes reviewed in this paper include liquid membranes, dynamic membranes, various ceramic membranes, carbon based membranes, silica membranes, and zeolite membranes. A brief description of the different synthesis routes for the development of inorganic membranes for application in water industry is given and each synthesis rout is critically reviewed and compared. Thereafter, the recent studies on different application of inorganic membrane and their properties for water treatment and desalination in literature are critically summarized. It was reported that inorganic membranes despite their high synthesis cost, showed very promising results with high flux, full salt rejection, and very low or no fouling.

  14. Solubility Products of M(II) - Carbonates

    Energy Technology Data Exchange (ETDEWEB)

    Grauer, Rolf; Berner, Urs [ed.

    1999-01-01

    Many solubility data for M(II) carbonates commonly compiled in tables are contradictory and sometimes obviously wrong. The quality of such data has been evaluated based on the original publications and reliable solubility constants have been selected for the carbonates of Mn, Fe, Co, Ni, Cu, Zn, Cd and Pb with the help of cross-comparisons. (author) translated from a PSI internal report written in German in 1994 (TM-44-94-05). 5 figs., 1 tab., 68 refs.

  15. Hydrogen solubility in polycrystalline - and nonocrystalline niobium

    International Nuclear Information System (INIS)

    Ishikawa, T.T.; Silva, J.R.G. da

    1981-01-01

    Hydrogen solubility in polycrystalline and monocrystalline niobium was measured in the range 400 0 C to 1000 0 C at one atmosphere hydrogen partial pressure. The experimental technique consists of saturation of the solvent metal with hydrogen, followed by quenching and analysis of the solid solution. It is presented solubility curves versus reciprocal of the absolute doping temperature, associated with their thermodynamical equation. (Author) [pt

  16. Respiratory carcinogenicity assessment of soluble nickel compounds.

    OpenAIRE

    Oller, Adriana R

    2002-01-01

    The many chemical forms of nickel differ in physicochemical properties and biological effects. Health assessments for each main category of nickel species are needed. The carcinogenicity assessment of water-soluble nickel compounds has proven particularly difficult. Epidemiologic evidence indicates an association between inhalation exposures to nickel refinery dust containing soluble nickel compounds and increased risk of respiratory cancers. However, the nature of this association is unclear...

  17. Correlation of Helium Solubility in Liquid Nitrogen

    Science.gov (United States)

    VanDresar, Neil T.; Zimmerli, Gregory A.

    2012-01-01

    A correlation has been developed for the equilibrium mole fraction of soluble gaseous helium in liquid nitrogen as a function of temperature and pressure. Experimental solubility data was compiled and provided by National Institute of Standards and Technology (NIST). Data from six sources was used to develop a correlation within the range of 0.5 to 9.9 MPa and 72.0 to 119.6 K. The relative standard deviation of the correlation is 6.9 percent.

  18. The interaction of uranyl ions with inorganic pyrophosphatase from baker's yeast

    International Nuclear Information System (INIS)

    Bienwald, B.; Heitmann, P.

    1978-01-01

    The interaction of uranyl ions with inorganic pyrophosphatase from baker's yeast was investigated by measurement of their effect on the protein fluorescence. Fluorescence titrations of the native enzyme with uranyl nitrate show that there is a specific binding of uranyl ions to the enzyme. It was deduced that each subunit of the enzyme binds one uranyl ion. The binding constant was estimated to be in the order of 10 7 M -1 . The enzyme which contains a small number of chemically modified carboxyl groups was not able to bind uranyl ions specifically. The modification of carboxyl groups was carried out by use of a water soluble carbodiimide and the nucleophilic reagent N-(2,4-dinitro-phenyl)-hexamethylenediamine. The substrate analogue calcium pyrophosphate displaced the uranyl ions from their binding sites at the enzyme From the results it is concluded that carboxyl groups of the active site are the ligands for the binding of uranyl ions. (author)

  19. Preparation and properties of UV curable organic/inorganic hybrid nanocomposites based on layered double hydroxides

    International Nuclear Information System (INIS)

    Shichang Lv; Wenfang Shi

    2007-01-01

    The organo-modified layered double hydroxides (LDHs), M-LDH and N-LDH, were obtained by the ionic exchange reaction of a magnesium-aluminium nitrate LDH with modifiers. The LDHs/acrylate organic/inorganic hybrid nanocomposites were prepared from organo-modified LDHs, and aliphatic polyurethane acrylate oligomer and an acrylate monomer, through a bulk photopolymerization process at the presence of a photoinitiator. The effects of LDHs content in the resin on the dispersion, and the properties of UV cured nanocomposites film were investigated by using X-ray diffraction, FTIR, thermal analysis, pendulum/pencil hardness measurement. With the good solubility in acrylate resins, the organo-modified LDHs are hopefully to be used in adhesives, coating, inks as toughness modifiers, fire-retardant additives. (Author)

  20. Lanthanide and actinide inorganic complexes in natural waters. TRLFS and ESI-MS studies

    Energy Technology Data Exchange (ETDEWEB)

    Vercouter, T.; Amekraz, B.; Moulin, C.; Vitorge, P

    2004-07-01

    Aqueous complexes of M(III) f-element ions with the inorganic ligands CO{sub 3}{sup 2-} and SO{sub 4}{sup 2-} have been investigated using the highly-sensitive speciation techniques TRLFS and ESI-MS. The Eu(CO{sub 3}){sub i}{sup 3-2i} (i=1-3) species have been characterized by TRLFS, and the stoichiometry of the limiting complex Eu(CO{sub 3}){sub 3}{sup 3-} have been confirmed by solubility measurements of NaEu(CO{sub 3}){sub 2}(s) at high ionic strength. Temperature effect on Cm(III) carbonate complexes is evidenced by the TRLFS technique. Investigation on sulphate complexation has been done at various ionic strengths by TRLFS on Eu(III) and by ESI-MS on La(III). New thermodynamic data are obtained by both techniques, which are consistent with literature data. (authors)

  1. From stretchable to reconfigurable inorganic electronics

    KAUST Repository

    Nassar, Joanna M.

    2016-05-06

    Today’s state-of-the-art electronics are high performing, energy efficient, multi-functional and cost effective. However, they are also typically rigid and brittle. With the emergence of the Internet of Everything, electronic applications are expanding into previously unexplored areas, like healthcare, smart wearable artifacts, and robotics. One major challenge is the physical asymmetry of target application surfaces, which often cause mechanical stretching, contracting, twisting and other deformations to the application. In this review paper, we explore materials, processes, mechanics and devices that enable physically stretchable and reconfigurable electronics. While the concept of stretchable electronics is commonly used in practice, the notion of physically reconfigurable electronics is still in its infancy. Because organic materials are commonly naturally stretchable and physically deformable, we predominantly focus on electronics made from inorganic materials that have the capacity for physical stretching and reconfiguration while retaining their intended attributes. We emphasize how applications of electronics dictate theory to integration strategy for stretchable and reconfigurable inorganic electronics.

  2. Molecular environmental geochemistry

    Science.gov (United States)

    O'Day, Peggy A.

    1999-05-01

    The chemistry, mobility, and bioavailability of contaminant species in the natural environment are controlled by reactions that occur in and among solid, aqueous, and gas phases. These reactions are varied and complex, involving changes in chemical form and mass transfer among inorganic, organic, and biochemical species. The field of molecular environmental geochemistry seeks to apply spectroscopic and microscopic probes to the mechanistic understanding of environmentally relevant chemical processes, particularly those involving contaminants and Earth materials. In general, empirical geochemical models have been shown to lack uniqueness and adequate predictive capability, even in relatively simple systems. Molecular geochemical tools, when coupled with macroscopic measurements, can provide the level of chemical detail required for the credible extrapolation of contaminant reactivity and bioavailability over ranges of temperature, pressure, and composition. This review focuses on recent advances in the understanding of molecular chemistry and reaction mechanisms at mineral surfaces and mineral-fluid interfaces spurred by the application of new spectroscopies and microscopies. These methods, such as synchrotron X-ray absorption and scattering techniques, vibrational and resonance spectroscopies, and scanning probe microscopies, provide direct chemical information that can elucidate molecular mechanisms, including element speciation, ligand coordination and oxidation state, structural arrangement and crystallinity on different scales, and physical morphology and topography of surfaces. Nonvacuum techniques that allow examination of reactions in situ (i.e., with water or fluids present) and in real time provide direct links between molecular structure and reactivity and measurements of kinetic rates or thermodynamic properties. Applications of these diverse probes to laboratory model systems have provided fundamental insight into inorganic and organic reactions at

  3. Hydrothermal solubility of uraninite. Final technical report

    International Nuclear Information System (INIS)

    Parks, G.A.; Pohl, D.C.

    1985-01-01

    Experimental measurements of the solubility of UO 2 from 100 to 300 0 C under 500 bars H 2 , in NaCl solutions at pH from 1 to 8 do not agree with solubilities calculated using existing thermodynamic databases. For pH 2 (hyd) has precipitated and is controlling solubility. For pH > 8, solubilities at all temperatures are much lower than predicted, suggesting that the U(OH)/sub delta/ - complex is much weaker than predicted. Extrapolated to 25 0 C, high pH solubility agrees within experimental error with the upper limit suggested by Ryan and Rai (1983). In the pH range 2 to 6, solubilities are up to three orders of magnitude lower than predicted for temperatures exceeding 200 0 C and up to two orders higher than predicted at lower temperatures. pH dependence in this region is negligible suggesting that U(OH) 4 (aq) predominates, thus the stability of this species is higher than presently estimated at low temperatures, but the enthalpy of solution is smaller. A low maximum observed near pH approx. =3 is presently unexplained. 40 refs., 16 figs., 12 tabs

  4. Uranium solubility and speciation in ground water

    International Nuclear Information System (INIS)

    Ollila, K.

    1985-04-01

    The purpose of this study has been to assess the solubility and possible species of uranium in groundwater at the disposal conditions of spent fuel. The effects of radiolysis and bentonite are considered. The assessment is based on the theoretical calculations found in the literature. The Finnish experimental results are included. The conservative estimate for uranium solubility under the oxidizing conditions caused by alpha radiolysis is based on the oxidation of uranium to the U(VI) state and formation of carbonate complex. For the groundwater with the typical carbonate content of 275 mg/l and the high carbonate content of 485 mg/l due to bentonite, the solubility values of 360 mg u/l and 950 mg U/l, are obtained, respectively. The experimental results predict considerably lower values, 0.5-20 mg U/l. The solubility of uranium under the undisturbed reducing conditions may be calculated based on the hydrolysis, carbonate complexation and redox reactions. The results vary considerably depending on the thermodynamic data used. The wide ranges of the most important groundwater parameters are seen in the solubility values. The experimental results show the same trends. As a conservative value for the solubility in reducing groundwater 50-500 μg U/l is estimated. (author)

  5. Sibutramine characterization and solubility, a theoretical study

    Science.gov (United States)

    Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René

    2013-04-01

    Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.

  6. Size Distributions and Formation Pathways of Organic and Inorganic Constituents in Spring Aerosols from Okinawa Island in the Western North Pacific Rim: An Outflow Region of Asian Dusts

    Science.gov (United States)

    Deshmukh, D. K.; Lazaar, M.; Kawamura, K.; Kunwar, B.; Tachibana, E.; Boreddy, S. K. R.

    2015-12-01

    Size-segregated aerosols (9-stages) were collected at Okinawa Island in the western North Pacific Rim in spring 2008. The samples were analyzed for diacids (C2-C12), ω-oxoacids (ωC2-ωC9), a-dicarbonyls (C2-C3), organic carbon (OC), water-soluble OC (WSOC) and major ions to understand the sources and atmospheric processes in the outflow region of Asian pollutants. The molecular distribution of diacids showed the predominance of oxalic acid (C2) followed by malonic and succinic acids in all the size-segregated aerosols. ω-Oxoacids showed the predominance of glyoxylic acid (ωC2) whereas glyoxal (Gly) was more abundant than methylglyoxal in all the sizes. The abundant presence of sulfate as well as phthalic and adipic acids in Okinawa aerosols suggested a significant contribution of anthropogenic sources in East Asia via long-range atmospheric transport. Diacids (C2-C5), ωC2 and Gly as well as WSOC and OC peaked at 0.65-1.1 µm in fine mode whereas azelaic (C9) and 9-oxononanoic (ωC9) acids peaked at 3.3-4.7 µm in coarse mode. Sulfate and ammonium are enriched in fine mode whereas sodium and chloride are in coarse mode. An important mechanism for the formation of these organic species in Okinawa aerosols is probably gas phase oxidation of VOCs and subsequent in-cloud processing during long-range transport. Their characteristics size distribution implies that fine particles enriched with these organic and inorganic species could act as CCN to develop the cloud cover over the western North Pacific. The major peak of C9 and ωC9 on coarse mode suggest that they are produced by photooxidation of unsaturated fatty acids mainly derived from phytoplankton via heterogeneous reactions on sea spray particles. This study demonstrates that anthropogenic aerosols emitted from East Asia have significant influence on the compositions of organic and inorganic aerosols in the western North Pacific Rim.

  7. Measurement and ANN prediction of pH-dependent solubility of nitrogen-heterocyclic compounds.

    Science.gov (United States)

    Sun, Feifei; Yu, Qingni; Zhu, Jingke; Lei, Lecheng; Li, Zhongjian; Zhang, Xingwang

    2015-09-01

    Based on the solubility of 25 nitrogen-heterocyclic compounds (NHCs) measured by saturation shake-flask method, artificial neural network (ANN) was employed to the study of the quantitative relationship between the structure and pH-dependent solubility of NHCs. With genetic algorithm-multivariate linear regression (GA-MLR) approach, five out of the 1497 molecular descriptors computed by Dragon software were selected to describe the molecular structures of NHCs. Using the five selected molecular descriptors as well as pH and the partial charge on the nitrogen atom of NHCs (QN) as inputs of ANN, a quantitative structure-property relationship (QSPR) model without using Henderson-Hasselbalch (HH) equation was successfully developed to predict the aqueous solubility of NHCs in different pH water solutions. The prediction model performed well on the 25 model NHCs with an absolute average relative deviation (AARD) of 5.9%, while HH approach gave an AARD of 36.9% for the same model NHCs. It was found that QN played a very important role in the description of NHCs and, with QN, ANN became a potential tool for the prediction of pH-dependent solubility of NHCs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Broiler litter and inorganic nitrogen fertilizers influence on earliness and yield on strawberry and cabbage

    International Nuclear Information System (INIS)

    Chehab, Abed Elghani

    1996-01-01

    Author.Comparison of broiler litter (BL) rates to inorganic nitrogen fertilizers was studied during 1994-1995 as to its effect on earliness and yield of strawberry and cabbage grown on a calcareous soil. Strawberry (Frag aria x ananassa Duch.cv.Oso Grande) was grown using BL at rates which supplied 100 (BL1) or 200 (BL2) Kg N/ha, ammonium nitrate or nitrogen+trace elements applied at 150 Kg N/ha in six equally split applications throughout the growing season. Crop yield was higher (P 0.05) under the litter treated plots especially the BL2 rate. Leaf Fe was comparable among treatments (P>0.05) and no Fe chlorosis symptoms were observed, even though the soil is calcareous. Residual soil nitrate-nitrogen was comparable (P>0.05) among all the treatments with the ammonium nitrate and the BL2 having the highest values, indicating that BL at 200 Kg N/ha apparently released an amount of N equivalent to that from the 150 Kg N/ha of ammonium nitrate. Available soil P (water soluble), although comparable among treatments (P>0.05), was higher under the BL treated plots especially at the 200 Kg N/ha rate reflecting the P content of the manure. It is recommended to apply BL at a rate of 200 Kg N/ha to fertilize strawberry over the use of inorganic N fertilizers at similar rates. O-S-Cross cabbage (Brassica oleracea var. Capitata) was tested using the same rates of BL described previously, ammonium nitrate or nitrogen+trace elements at 125 Kg N/ha split as 25 Kg N/ha early in the season, 50 Kg N/ha just before heading, and 50 Kg N/ha at heading. Total yield and marketable yield were higher under the inorganic treated plots than under BL (P 2 . The higher yields under the inorganic N fertilizer treated plots were also reflected in leaf nitrate-nitrogen. Leaf blade P was comparable (P>0.05) among all treatments indicating a high soil P level at the beginning of all treatments before heading (P>0.05) and at heading, where as at first harvest it was higher (P<0.05) under the nitrogen

  9. Water-soluble heterobifunctional fluorescent linkers

    Czech Academy of Sciences Publication Activity Database

    Bartoň, Jan; Cígler, Petr

    2017-01-01

    Roč. 15, č. 1 (2017), s. 4 ISSN 2336-7202. [Mezioborové setkání mladých biologů, biochemiků a chemiků /17./. 30.05.2017-01.06.2017, Milovy] Institutional support: RVO:61388963 Keywords : fluorescent probes * heterobifunctional linkers Subject RIV: CA - Inorganic Chemistry

  10. DNA-inorganic hybrid nanovaccine for cancer immunotherapy

    Science.gov (United States)

    Zhu, Guizhi; Liu, Yijing; Yang, Xiangyu; Kim, Young-Hwa; Zhang, Huimin; Jia, Rui; Liao, Hsien-Shun; Jin, Albert; Lin, Jing; Aronova, Maria; Leapman, Richard; Nie, Zhihong; Niu, Gang; Chen, Xiaoyuan

    2016-03-01

    Cancer evolves to evade or compromise the surveillance of the immune system, and cancer immunotherapy aims to harness the immune system in order to inhibit cancer development. Unmethylated CpG dinucleotide-containing oligonucleotides (CpG), a class of potent adjuvants that activate the toll-like receptor 9 (TLR9) located in the endolysosome of many antigen-presenting cells (APCs), are promising for cancer immunotherapy. However, clinical application of synthetic CpG confronts many challenges such as suboptimal delivery into APCs, unfavorable pharmacokinetics caused by limited biostability and short in vivo half-life, and side effects associated with leaking of CpG into the systemic circulation. Here we present DNA-inorganic hybrid nanovaccines (hNVs) for efficient uptake into APCs, prolonged tumor retention, and potent immunostimulation and cancer immunotherapy. hNVs were self-assembled from concatemer CpG analogs and magnesium pyrophosphate (Mg2PPi). Mg2PPi renders hNVs resistant to nuclease degradation and thermal denaturation, both of which are demanding characteristics for effective vaccination and the storage and transportation of vaccines. Fluorophore-labeled hNVs were tracked to be efficiently internalized into the endolysosomes of APCs, where Mg2PPi was dissolved in an acidic environment and thus CpG analogs were exposed to hNVs. Internalized hNVs in APCs led to (1) elevated secretion of proinflammatory factors, and (2) elevated expression of co-stimulatory factors. Compared with molecular CpG, hNVs dramatically prolonged the tissue retention of CpG analogs and reduced splenomegaly, a common side effect of CpG. In a melanoma mouse model, two injections of hNVs significantly inhibited the tumor growth and outperformed the molecular CpG. These results suggest hNVs are promising for cancer immunotherapy.Cancer evolves to evade or compromise the surveillance of the immune system, and cancer immunotherapy aims to harness the immune system in order to inhibit

  11. The control of inorganic nanotube morphology using an applied potential

    International Nuclear Information System (INIS)

    Gingrich, Todd R; Wilson, Mark

    2011-01-01

    Molecular dynamics computer simulations of the filling of carbon nanotubes (CNTs) by a generic molten salt to form hexagonal-net-based inorganic nanotubes (INTs) are described. A model is introduced to incorporate CNT metallicity which imposes variable Gaussian charges on each atomic site in order to retain an equipotential. The inclusion of CNT metallicity is observed to have no significant effect on the distribution of the INT morphologies formed as compared with the filling of non-metallic CNTs. The application of a voltage bias to the CNT forms a new class of INTs which can be considered as constructed from concentric layers of pseudo-close-packed anions and cations. Removal of the voltage bias leads to the formation of hexagonal-net-based INTs with a distribution of morphologies different to that observed for the filling of the unbiased CNTs. The differences in distributions are interpreted in terms of the CNTs behaving as effective energy landscape filters, for which the applied voltage acts as an additional control variable. The application of a potential acts to control the distribution of INT morphologies by facilitating alternative mechanistic pathways to nanotube formation.

  12. In situ spectrophotometric measurement of dissolved inorganic carbon in seawater

    Science.gov (United States)

    Liua, Xuewu; Byrne, Robert H.; Adornato, Lori; Yates, Kimberly K.; Kaltenbacher, Eric; Ding, Xiaoling; Yang, Bo

    2013-01-01

    Autonomous in situ sensors are needed to document the effects of today’s rapid ocean uptake of atmospheric carbon dioxide (e.g., ocean acidification). General environmental conditions (e.g., biofouling, turbidity) and carbon-specific conditions (e.g., wide diel variations) present significant challenges to acquiring long-term measurements of dissolved inorganic carbon (DIC) with satisfactory accuracy and resolution. SEAS-DIC is a new in situ instrument designed to provide calibrated, high-frequency, long-term measurements of DIC in marine and fresh waters. Sample water is first acidified to convert all DIC to carbon dioxide (CO2). The sample and a known reagent solution are then equilibrated across a gas-permeable membrane. Spectrophotometric measurement of reagent pH can thereby determine the sample DIC over a wide dynamic range, with inherent calibration provided by the pH indicator’s molecular characteristics. Field trials indicate that SEAS-DIC performs well in biofouling and turbid waters, with a DIC accuracy and precision of ∼2 μmol kg–1 and a measurement rate of approximately once per minute. The acidic reagent protects the sensor cell from biofouling, and the gas-permeable membrane excludes particulates from the optical path. This instrument, the first spectrophotometric system capable of automated in situ DIC measurements, positions DIC to become a key parameter for in situ CO2-system characterizations.

  13. Anisotropic Self-Assembly of Organic–Inorganic Hybrid Microtoroids

    KAUST Repository

    Al-Rehili, Safa’a

    2016-10-24

    Toroidal structures based on self-assembly of predesigned building blocks are well-established in the literature, but spontaneous self-organization to prepare such structures has not been reported to date. Here, organic–inorganic hybrid microtoroids synthesized by simultaneous coordination-driven assembly of amphiphilic molecules and hydrophilic polymers are reported. Mixing amphiphilic molecules with iron(III) chloride and hydrophilic polymers in water leads, within minutes, to the formation of starlike nanostructures. A spontaneous self-organization of these nanostructures is then triggered to form stable hybrid microtoroids. Interestingly, the toroids exhibit anisotropic hierarchical growth, giving rise to a layered toroidal framework. These microstructures are mechanically robust and can act as templates to host metallic nanoparticles such as gold and silver. Understanding the nature of spontaneous assembly driven by coordination multiple non-covalent interactions can help explain the well-ordered complexity of many biological organisms in addition to expanding the available tools to mimic such structures at a molecular level.

  14. Investigation of Cyclodextrin-Based Nanosponges for Solubility and Bioavailability Enhancement of Rilpivirine.

    Science.gov (United States)

    Rao, Monica R P; Chaudhari, Jagruti; Trotta, Francesco; Caldera, Fabrizio

    2018-06-04

    Rilpivrine is BCS class II drug used for treatment of HIV infection. The drug has low aqueous solubility (0.0166 mg/ml) and dissolution rate leading to low bioavailability (32%). Aim of this work was to enhance solubility and dissolution of rilpivirine using beta-cyclodextrin-based nanosponges. These nanosponges are biocompatible nanoporous particles having high loading capacity to form supramolecular inclusion and non-inclusion complexes with hydrophilic and lipophilic drugs for solubility enhancement. Beta-cyclodextrin was crosslinked with carbonyl diimidazole and pyromellitic dianhydride to prepare nanosponges. The nanosponges were loaded with rilpivirine by solvent evaporation method. Binary and ternary complexes of drug with β-CD, HP-β-CD, nanosponges, and tocopherol polyethylene glycol succinate were prepared and characterized by phase solubility, saturation solubility in different media, in vitro dissolution, and in vivo pharmacokinetics. Spectral analysis by Fourier transform infrared spectroscopy, powder X-ray diffraction, and differential scanning calorimetry was performed. Results obtained from spectral characterization confirmed inclusion complexation. Phase solubility studies indicated stable complex formation. Saturation solubility was found to be 10-13-folds higher with ternary complexes in distilled water and 12-14-fold higher in 0.1 N HCl. Solubility enhancement was evident in biorelevant media. Molecular modeling studies revealed possible mode of entrapment of rilpivirine within β-CD cavities. A 3-fold increase in dissolution with ternary complexes was observed. Animal studies revealed nearly 2-fold increase in oral bioavailability of rilpivirine. It was inferred that electronic interactions, hydrogen bonding, and van der Waals forces are involved in the supramolecular interactions.

  15. Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods

    Czech Academy of Sciences Publication Activity Database

    Škoda, J.; Pospíšil, M.; Kovář, P.; Melánová, Klára; Svoboda, J.; Beneš, L.; Zima, Vítězslav

    2018-01-01

    Roč. 24, č. 1 (2018), s. 1-12, č. článku 10. ISSN 1610-2940 R&D Projects: GA ČR(CZ) GA14-13368S; GA ČR(CZ) GA17-10639S Institutional support: RVO:61389013 Keywords : zirconium sulfophenylphosphonate * intercalation * molecular simulation Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 1.425, year: 2016

  16. Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation.

    Science.gov (United States)

    Zhao, Xin-Gang; Yang, Ji-Hui; Fu, Yuhao; Yang, Dongwen; Xu, Qiaoling; Yu, Liping; Wei, Su-Huai; Zhang, Lijun

    2017-02-22

    Hybrid organic-inorganic halide perovskites with the prototype material of CH 3 NH 3 PbI 3 have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion efficiency exceeding 20% achieved by their solar cells, two key issues-the poor device stabilities associated with their intrinsic material instability and the toxicity due to water-soluble Pb 2+ -need to be resolved before large-scale commercialization. Here, we address these issues by exploiting the strategy of cation-transmutation to design stable inorganic Pb-free halide perovskites for solar cells. The idea is to convert two divalent Pb 2+ ions into one monovalent M + and one trivalent M 3+ ions, forming a rich class of quaternary halides in double-perovskite structure. We find through first-principles calculations this class of materials have good phase stability against decomposition and wide-range tunable optoelectronic properties. With photovoltaic-functionality-directed materials screening, we identify 11 optimal materials with intrinsic thermodynamic stability, suitable band gaps, small carrier effective masses, and low excitons binding energies as promising candidates to replace Pb-based photovoltaic absorbers in perovskite solar cells. The chemical trends of phase stabilities and electronic properties are also established for this class of materials, offering useful guidance for the development of perovskite solar cells fabricated with them.

  17. High refractive index organic–inorganic composites with TiO2 nanocrystal

    International Nuclear Information System (INIS)

    Yu, Yang-Yen; Yu, Hui-Huan

    2013-01-01

    Highly transparent polyimide–nanocrystalline-titania hybrid materials with a relatively high titania content (up to 90 wt.%) have been fabricated via sol–gel process. The organo-soluble polyimide was synthesized from 4,4′-(hexafluoroisopropylidene) diphthalic anhydride, 3,3′-Diaminodiphenyl sulfone, and 4-aminobenzoic acid. Such carboxylic acid end groups could provide the organic–inorganic bonding with titania. The images of atomic force and scanning electron microscope showed the well-dispersed nanocrystalline-titania. The analytical results of transmission electron microscope and X-ray diffractometer indicated that the formation of nanocrystalline-titania domains of around 3–4 nm in the hybrid films. The experimental results suggest that the prepared hybrid films have high thermal stability, good surface planarity, tunable refractive index (1.61 < n < 2.01), and optical transparency in the visible range. These results indicate that the polyimide–nanocrystalline-titania hybrid materials have potential applications for optical devices. - Highlights: ► Polyimide–titania hybrid materials with up to 90 wt.% titania via sol–gel process. ► The hybrid films are highly transparent. ► Organic–inorganic bonding through the carboxylic acid end groups of polymide. ► Nanocrystalline–titania domains in the hybrid films around 3–4 nm. ► High thermal stability, good surface planarity, tunable refractive index are obtained

  18. Inorganic markers, carbonaceous components and stable carbon isotope from biomass burning aerosols in northeast China

    Science.gov (United States)

    Cao, F.; Zhang, Y.; Kawamura, K.

    2015-12-01

    To better characterize the sources of fine particulate matter (i.e. PM2.5) in Sanjiang Plain, Northeast China, aerosol chemical composition such total carbon (TC), organic carbon (OC), elemental carbon (EC), water-soluble organic carbon (WSOC), and inorganic ions were studied as well as stable carbon isotopic composition (δ13C) of TC. Intensively open biomass burning episodes were identified from late September to early October by satellite fire and aerosol optical depth maps. During the biomass burning episodes, concentrations of PM2.5, OC, EC, and WSOC increased by a factor of 4-12 compared to non-biomass-burning periods. Non-sea-salt potassium is strongly correlated with PM2.5, OC, EC and WSOC, suggesting an important contribution of biomass burning emission. The enrichment in both the non-sea-salt potassium and chlorine is significantly larger than other inorganic species, indicating that biomass burning aerosols in Sanjiang Plain is mostly fresh and less aged. In addition, WSOC to OC ratio is relatively lower compared to that reported in biomass burning aerosols in tropical regions, supporting that biomass burning aerosols in Sanjiang Plain is mostly primary and secondary organic aerosols is not significant. A lower average δ13C value (-26.2‰) is found for the biomass-burning aerosols, suggesting a dominant contribution from combustion of C3 plants in the studied region.

  19. Arsenic and selenium mobilisation from organic matter treated mine spoil with and without inorganic fertilisation

    International Nuclear Information System (INIS)

    Moreno-Jiménez, Eduardo; Clemente, Rafael; Mestrot, Adrien; Meharg, Andrew A.

    2013-01-01

    Organic matter amendments are applied to contaminated soil to provide a better habitat for re-vegetation and remediation, and olive mill waste compost (OMWC) has been described as a promising material for this aim. We report here the results of an incubation experiment carried out in flooded conditions to study its influence in As and metal solubility in a trace elements contaminated soil. NPK fertilisation and especially organic amendment application resulted in increased As, Se and Cu concentrations in pore water. Independent of the amendment, dimethylarsenic acid (DMA) was the most abundant As species in solution. The application of OMWC increased pore water dissolved organic-carbon (DOC) concentrations, which may explain the observed mobilisation of As, Cu and Se; phosphate added in NPK could also be in part responsible of the mobilisation caused in As. Therefore, the application of soil amendments in mine soils may be particularly problematic in flooded systems. Highlights: ► Organic and inorganic amendments were added to a mine soil in flooding conditions. ► Olive mill waste compost (OMWC) provoked As, Se and Cu solubilisation. ► Dimethylarsenic acid (DMA) was the predominant As species in pore water. ► Selenium volatilisation from soils was intense. - The addition of organic amendment and/or inorganic fertiliser to a trace element contaminated soil in flooded conditions led to As, Cu and Se solubilisation.

  20. Comparative Use of Soil Organic and Inorganic Amendments in Heavy Metals Stabilization

    Directory of Open Access Journals (Sweden)

    Agustina Branzini

    2012-01-01

    Full Text Available Remediation strategies are capable to mitigate negative effects of heavy metals (HMs on soils. The distribution of cooper (Cu, zinc (Zn, and chromium (Cr was evaluated in a contaminated soil after adding biosolid compost (BC and phosphate fertilizer (PF. A greenhouse assay and sequential extraction procedure were performed to determine the fractionation of HM in contaminated and remediated soil. In BC treatment, among 4 to 6% of Cu was associated with soil humic substances. Without amendments and with fertilizer application, Zn solubility increased by 15.4 and 8.4%, respectively, with experiment time. Although Cr was significantly adsorbed to the inorganic fraction, with compost application there was a transfer to organic fraction. A single amendment application is not suitable for immobilizing all metals of concern, because there are diverse union’s behaviors between HM and soil matrix. As the organic matter and phosphate fertilizer were effective in reducing mobility of Cu, the organic matter was more effective in the immobilization of Cr, and inorganic amendment induced the Zn precipitation, results from this pilot study suggest a combined use of these two amendments for soil remediation strategies. However, liming may be further needed to prevent soil acidification on longer time scales. Also, we propose the use of chemical and biological remediation strategies for potential improvement of effectiveness.

  1. Speciation of inorganic arsenic by electrochemical hydride generation atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Li Xun [Department of Chemistry, Beijing Normal University, Beijing 100875 (China); Department of Chemistry and Life Science, Gannan Teachers College, Ganzhou 341000 (China); Jia Jing [Department of Chemistry, Beijing Normal University, Beijing 100875 (China); Wang Zhenghao [Department of Chemistry, Beijing Normal University, Beijing 100875 (China)]. E-mail: zhwang@bnu.edu.cn

    2006-02-23

    A simple procedure was developed for the speciation of inorganic arsenic by electrochemical hydride generation atomic absorption spectrometry (EcHG-AAS), without pre-reduction of As(V). Glassy carbon was selected as cathode material in the flow cell. An optimum catholyte concentration for simultaneous generation of arsine from As(III) and As(V) was 0.06 mol l{sup -1} H{sub 2}SO{sub 4}. Under the optimized conditions, adequate sensitivity and difference in ratio of slopes of the calibration curves for As(III) and As(V) can be achieved at the electrolytic currents of 0.6 and 1 A. The speciation of inorganic arsenic can be performed by controlling the electrolytic currents, and the concentration of As(III) and As(V) in the sample can be calculated according to the equations of absorbance additivity obtained at two selected electrolytic currents. The calibration curves were linear up to 50 ng ml{sup -1} for both As(III) and As(V) at 0.6 and 1 A. The detection limits of the method were 0.2 and 0.5 ng ml{sup -1} for As(III) and As(V) at 0.6 A, respectively. The relative standard deviations were of 2.1% for 20 ng ml{sup -1} As(III) and 2.5% for 20 ng ml{sup -1} As(V). The method was validated by the analysis of human hair certified reference material and successfully applied to speciation of soluble inorganic arsenic in Chinese medicine.

  2. Speciation of inorganic arsenic by electrochemical hydride generation atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Li Xun; Jia Jing; Wang Zhenghao

    2006-01-01

    A simple procedure was developed for the speciation of inorganic arsenic by electrochemical hydride generation atomic absorption spectrometry (EcHG-AAS), without pre-reduction of As(V). Glassy carbon was selected as cathode material in the flow cell. An optimum catholyte concentration for simultaneous generation of arsine from As(III) and As(V) was 0.06 mol l -1 H 2 SO 4 . Under the optimized conditions, adequate sensitivity and difference in ratio of slopes of the calibration curves for As(III) and As(V) can be achieved at the electrolytic currents of 0.6 and 1 A. The speciation of inorganic arsenic can be performed by controlling the electrolytic currents, and the concentration of As(III) and As(V) in the sample can be calculated according to the equations of absorbance additivity obtained at two selected electrolytic currents. The calibration curves were linear up to 50 ng ml -1 for both As(III) and As(V) at 0.6 and 1 A. The detection limits of the method were 0.2 and 0.5 ng ml -1 for As(III) and As(V) at 0.6 A, respectively. The relative standard deviations were of 2.1% for 20 ng ml -1 As(III) and 2.5% for 20 ng ml -1 As(V). The method was validated by the analysis of human hair certified reference material and successfully applied to speciation of soluble inorganic arsenic in Chinese medicine

  3. Modelling the inorganic ocean carbon cycle under past and future climate change

    International Nuclear Information System (INIS)

    Ewan, T.L.

    2004-01-01

    This study used a coupled ocean-atmosphere-sea ice model with an inorganic carbon component to examine the inorganic ocean carbon cycle with particular reference to how climate feedback influences future uptake. In the last 150 years, the increase in atmosphere carbon dioxide (CO 2 ) concentrations have been higher than any time during the Earth's history. Although the oceans are the largest sink for carbon dioxide, it is not know how the ocean carbon cycle will respond to increasing anthropogenic carbon dioxide concentrations in the future. Climate feedbacks could potentially reduce further uptake of carbon by the ocean. In addition to examining past climate transitions, including both abrupt and glacial-interglacial climate transitions, this study also examined the sensitivity of the inorganic carbon cycle to increased atmospheric carbon dioxide. Atmospheric carbon dioxide levels were also projected under a range of global warming scenarios. Most simulations identified a transient weakening of the North Atlantic and increased sea surface temperatures (SST). These positive feedbacks act on the carbon system to reduce uptake. However, the ocean has the capacity to take up 65 to 75 per cent of the anthropogenic carbon dioxide increases. An analysis of climate feedback on future carbon uptake shows that oceans store 7 per cent more carbon when there are no climate feedbacks acting on the system. Sensitivity experiments using the Gent McWilliams parameterization for mixing associated with mesoscale eddies show a further 6 per cent increase in oceanic uptake. Inclusion of sea ice dynamics resulted in a 2 per cent difference in uptake. This study also examined changes in atmospheric carbon dioxide concentration that occur during abrupt climate change events. Changes in ocean circulation and carbon solubility cause significant increases in atmospheric carbon dioxide concentrations when melt water episodes are simulated in both hemispheres. The response of the carbon

  4. Effect of decreasing acidity on the extractability of inorganic soil phosphorus

    Directory of Open Access Journals (Sweden)

    Helinä Hartikainen

    1981-01-01

    Full Text Available The extractability of P by the water and anion exchange resin methods and reactions of soil inorganic P were investigated with seven acid mineral soil samples incubated with KOH solutions of various concentrations. The results were compared with the analytical data obtained from three soil samples incubated in a prolonged liming experiment. The resin extraction method proved more effective than the water extraction method. The amounts of P desorbed by both methods seemed to increase exponentially as the pH in the soil suspensions rose. The factors involved were discussed. On the basis of fractionation analyses P reacting to changes in the pH and participating in desorption processes was supposed to originate from secondary NH4F and NaOH soluble reserves. In general, as the acidity decreased NH4F-P increased at the expense of NaOH-P. In heavily limed gyttja soil also H2SO4-P increased. This was possibly induced by the precipitation of mobilized P as a Ca compound. The significance of pH in the extractability of soil P seemed somewhat to lessen as the amount of secondary P increased. The results were in accordance with the conception that liming improves the availability of inorganic P to plants and reduces the need for P fertilization. However, increasing of the soil pH involves the risk that P is more easily desorbed to the recipient water by the eroded soil material carried into the watercourse. Therefore, intensive liming is not recommendable close to the shoreline. Further, it should be taken into account that liming of lakes may also result in eutrophication as desorption of sedimentary inorganic P is enhanced.

  5. Research for molecular magnetic theory

    International Nuclear Information System (INIS)

    Kuang Xiaoyu; Zhou Kangwei; Gou Qingquan

    2002-01-01

    Recently, the authors have established a DSF theoretical method suitable for researching molecular magnetism of the compounds consisting of transition group elements. By this method, the authors have revealed that the ferromagnetism of molecules is due to the cross-interaction between d orbitals of adjacent transition-metal ions, and that the antiferromagnetism is due to the parallel interactions. Further more, the authors have also established a magnetism theory for hetero-dinuclear molecular systems and covalent molecular systems, respectively. With these theoretical methods, a systematical studies are performed for the magnetism origin and the magnetism variation rule of transition metal complex molecules in various inorganic compounds, organic compounds and biologic proteins, and a reasonable explanation is presented for the strong antiferromagnetic coupling phenomenon in the catalysis active center of ribonucleotide reductase. This indicates that the main physical mechanisms are the combined effect of the direct-exchange, kinetic exchange and the molecular covalent property

  6. Molecular-beam epitaxial growth and ion-beam analysis systems for functional materials research

    International Nuclear Information System (INIS)

    Takeshita, H.; Aoki, Y.; Yamamoto, S.; Naramoto, H.

    1992-01-01

    Experimental systems for molecular beam epitaxial growth and ion beam analysis have been designed and constructed for the research of inorganic functional materials such as thin films and superlattices. (author)

  7. Dynamics of the sol—gel transition in organic—inorganic nanocomposites

    Science.gov (United States)

    Judeinstein, P.; Oliveira, P. W.; Krug, H.; Schmidt, H.

    1994-03-01

    Two different techniques have been used to follow the gelation of photochromic organic—inorganic nanocomposites. The variations of molecular and macromolecular motions in these complex systems have been analyzed. Photo-correlation spectroscopy probes the formation of the gel network. Forced Rayleigh scattering experiences the microstructure of the mixtures via the measurement of the translational diffusion coefficient of entrapped photoreactive targets. In the different mixtures, a drop of the network mobility could be observed around the sol to gel conversion, while the entrapped molecules do not experience the macroscopic transition.

  8. High Molecular Weight Polymers in the New Chemicals Program

    Science.gov (United States)

    There are three categories or types of High Molecular Weight (HMW, 10,000 daltons) polymers typically reviewed by the New Chemicals Program: Soluble, insoluble, and water absorbing. Each of the three types are treated differently.

  9. Engineering properties of inorganic polymer concretes (IPCs)

    International Nuclear Information System (INIS)

    Sofi, M.; Deventer, J.S.J. van; Mendis, P.A.; Lukey, G.C.

    2007-01-01

    This paper presents the engineering properties of inorganic polymer concretes (IPCs) with a compressive strength of 50 MPa. The study includes a determination of the modulus of elasticity, Poisson's ratio, compressive strength, and the splitting tensile strength and flexural strength of IPCs, formulated using three different sources of Class-F fly ash. Six IPC mix designs were adopted to evaluate the effects of the inclusion of coarse aggregates and granulated blast furnace slag into the mixes. A total of 90 cylindrical and 24 small beam specimens were investigated, and all tests were carried out pursuant to the relevant Australian Standards. Although some variability between the mixes was observed, the results show that, in most cases, the engineering properties of IPCs compare favorably to those predicted by the relevant Australian Standards for concrete mixtures

  10. Scintillation response of organic and inorganic scintillators

    CERN Document Server

    Papadopoulos, L M

    1999-01-01

    A method to evaluate the scintillation response of organic and inorganic scintillators to different heavy ionizing particles is suggested. A function describing the rate of the energy consumed as fluorescence emission is derived, i.e., the differential response with respect to time. This function is then integrated for each ion and scintillator (anthracene, stilbene and CsI(Tl)) to determine scintillation response. The resulting scintillation responses are compared to the previously reported measured responses. Agreement to within 2.5% is observed when these data are normalized to each other. In addition, conclusions regarding the quenching parameter kB dependence on the type of the particle and the computed values of kB for certain ions are included. (author)

  11. Neutron Diffraction and Inorganic Materials Discovery

    International Nuclear Information System (INIS)

    Rosseinsky, M.J.

    2005-01-01

    Full text: The discovery of complex inorganic materials is an important academic and technological challenge because of the opportunities these systems offer for observation of new phenomena, and the questions they pose for fundamental understanding. This presentation will illustrate the key role of neutron powder diffraction in enabling the discovery of new classes of materials, and in evaluating their properties and the conditions under which they need to be processed to optimise their behaviour in devices for applications. New chemistry is illustrated by the transition metal oxide hydrides, where both structure and ionic mobility required neutron scattering characterisation. The relationship between chemistry, structure and properties will be addressed by considering the difficulties in inducing superconductivity in analogues of magnesium diboride. The role of both neutron and X-ray diffraction in evaluating the processing of microwave dielectric ceramics will be highlighted, with the discovery of new phases shown to be a useful bonus in this type of in-situ study. (author)

  12. Carbon dioxide removal with inorganic membranes

    Energy Technology Data Exchange (ETDEWEB)

    Judkins, R.R.; Fain, D.E. [Oak Ridge National Laboratory, TN (United States)

    1993-12-31

    The increasing concentrations of greenhouse gases, particularly carbon dioxide, in the atmosphere has sparked a great deal of interest in the removal of CO{sub 2} from flue gases of fossil fueled plants. Presently, several techniques for the removal of CO{sub 2} are considered to have potential, but are lacking in practicality. For example, amine scrubbing of flue gas streams is potential, but are lacking in practically. For example, amine scrubbing of flue gas streams is effective in removing CO{sub 2}, but costs are high; efficiency suffers; and other acid gases must be removed prior to amine stripping. Membrane systems for CO{sub 2} removal are held in high regard, and inorganic, particularly ceramic, membranes offer the potential for high temperature, thus energy saving, removal.

  13. Inorganic-organic nanocomposites for optical coatings

    Science.gov (United States)

    Schmidt, Helmut K.; Krug, Herbert; Sepeur-Zeitz, Bernhard; Geiter, Elisabeth

    1997-10-01

    The fabrication of nanoparticles by the sol-gel process and their use in polymeric or sol-gel-derived inorganic-organic composite matrices opens up interesting possibilities for designing new optical materials. Two different routes have been chosen for preparing optical nanocomposites: The first is the so-called 'in situ route,' where the nanoparticles are synthesized in a liquid mixture from Zr-alkoxides in a polymerizable system and diffractive gratings were produced by embossing uncured film. The second is the 'separate' preparation route, where a sterically stabilized dry nanoboehmite powder was completely redispersed in an epoxy group-containing matrix and hard coatings with optical quality on polycarbonate were prepared.

  14. Mechanisms of inorganic and organometallic reactions

    CERN Document Server

    The purpose of this series is to provide a continuing critical review of the literature concerned with mechanistic aspects of inorganic and organo­ metallic reactions in solution, with coverage being complete in each volume. The papers discussed are selected on the basis of relevance to the elucidation of reaction mechanisms and many include results of a nonkinetic nature when useful mechanistic information can be deduced. The period of literature covered by this volume is July 1982 through December 1983, and in some instances papers not available for inclusion in the previous volume are also included. Numerical results are usually reported in the units used by the original authors, except where data from different papers are com­ pared and conversion to common units is necessary. As in previous volumes material included covers the major areas of redox processes, reactions of the nonmetallic elements, reaction of inert and labile metal complexes and the reactions of organometallic compounds. While m...

  15. Inorganic phosphate uptake in unicellular eukaryotes.

    Science.gov (United States)

    Dick, Claudia F; Dos-Santos, André L A; Meyer-Fernandes, José R

    2014-07-01

    Inorganic phosphate (Pi) is an essential nutrient for all organisms. The route of Pi utilization begins with Pi transport across the plasma membrane. Here, we analyzed the gene sequences and compared the biochemical profiles, including kinetic and modulator parameters, of Pi transporters in unicellular eukaryotes. The objective of this review is to evaluate the recent findings regarding Pi uptake mechanisms in microorganisms, such as the fungi Neurospora crassa and Saccharomyces cerevisiae and the parasite protozoans Trypanosoma cruzi, Trypanosoma rangeli, Leishmania infantum and Plasmodium falciparum. Pi uptake is the key step of Pi homeostasis and in the subsequent signaling event in eukaryotic microorganisms. Biochemical and structural studies are important for clarifying mechanisms of Pi homeostasis, as well as Pi sensor and downstream pathways, and raise possibilities for future studies in this field. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Characterisation of the inorganic chemistry of surface waters in ...

    African Journals Online (AJOL)

    The main purpose of this study was to determine a simple inorganic chemistry index that can be used for all surface waters in South Africa, in order to characterise the inorganic chemistry of surface waters. Water quality data collected up until 1999 from all sample monitoring stations (2 068 monitoring stations, 364 659 ...

  17. Effect of Inorganic Fertilizer on the Microbial degradation of Diesel ...

    African Journals Online (AJOL)

    The effect of Inorganic Fertilizer (IF) on the microbial degradation of diesel polluted soil in Abeokuta was assessed by collecting Top soil (0 – 15 cm depth) from diesel polluted site of Information and Communication Centre, Federal University of Agriculture, Abeokuta, Nigeria. Inorganic fertilizer was added to the polluted soil ...

  18. Graphene templated Directional Growth of an Inorganic Nanowire

    Science.gov (United States)

    2015-03-23

    14,23–25 have only formed randomly oriented or poorly aligned inorganic nanostructures. Here, we show that inorganic nanowires of gold(I) cyanide can... complex . TEM image simulation from the crystal structure The TEM image simulations are performed using MacTempas and CrystalKit. The imaging

  19. Computer information resources of inorganic chemistry and materials science

    Energy Technology Data Exchange (ETDEWEB)

    Kiselyova, N N; Dudarev, V A; Zemskov, V S [A.A.Baikov Institute of Metallurgy and Materials Science, Russian Academy of Sciences, Moscow (Russian Federation)

    2010-02-28

    Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

  20. Organometallic-inorganic hybrid electrodes for lithium-ion batteries

    Science.gov (United States)

    Huang, Qian; Lemmon, John P.; Choi, Daiwon; Cosimbescu, Lelia

    2016-09-13

    Disclosed are embodiments of active materials for organometallic and organometallic-inorganic hybrid electrodes and particularly active materials for organometallic and organometallic-inorganic hybrid cathodes for lithium-ion batteries. In certain embodiments the organometallic material comprises a ferrocene polymer.

  1. Synthesis of Porous Inorganic Hollow Fibers without Harmful Solvents

    NARCIS (Netherlands)

    Shukla, Sushumna; de Wit, Patrick; Luiten-Olieman, Maria W.J.; Kappert, Emiel; Nijmeijer, Arian; Benes, Nieck Edwin

    2015-01-01

    A route for the fabrication of porous inorganic hollow fibers with high surface-area-to-volume ratio that avoids harmful solvents is presented. The approach is based on bio-ionic gelation of an aqueous mixture of inorganic particles and sodium alginate during wet spinning. In a subsequent thermal

  2. Computer information resources of inorganic chemistry and materials science

    International Nuclear Information System (INIS)

    Kiselyova, N N; Dudarev, V A; Zemskov, V S

    2010-01-01

    Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

  3. Rumen microorganisms decrease bioavailability of inorganic selenium supplements

    Science.gov (United States)

    Despite the availaility of selenium (Se)-enriched trace mineral supplements, we have observed low Se status in cattle and sheep offered traditional inorganic Se supplements. Reasons for this may include inadequate intake or low bioavailability of inorganic Se sources. The objective of this study w...

  4. Contamination of Kallar Kahar Lake by Inorganic Elements and ...

    African Journals Online (AJOL)

    The present study was conducted to find out the contamination of Kallar Kahar Lake by inorganic elements and heavy metals and the temporal variation of these chemicals in the lake water. Water samples were collected on monthly basis during December 2001 to November 2002. Concentration of 10 inorganic elements ...

  5. An overview of the bioremediation of inorganic contaminants

    International Nuclear Information System (INIS)

    Bolton, H. Jr.; Gorby, Y.A.

    1995-01-01

    Bioremediation, or the biological treatment of wastes, usually is associated with the remediation of organic contaminants. Similarly, there is an increasing body of literature and expertise in applying biological systems to assist in the bioremediation of soils, sediments, and water contaminated with inorganic compounds including metals, radionuclides, nitrates, and cyanides. Inorganic compounds can be toxic both to humans and to organisms used to remediate these contaminants. However, in contrast to organic contaminants, most inorganic contaminants cannot be degraded, but must be remediated by altering their transport properties. Immobilization, mobilization, or transformation of inorganic contaminants via bioaccumulation, biosorption, oxidation, reduction, methylation, demethylation, metal-organic complexation, ligand degradation, and phytoremediation are the various processes applied in the bioremediation of inorganic compounds. This paper briefly describes these processes, referring to other contributors in this book as examples when possible, and summarize the factors that must be considered when choosing bioremediation as a cleanup technology for inorganics. Understanding the current state of knowledge as well as the limitations for bioremediation of inorganic compounds will assist in identifying and implementing successful remediation strategies at sites containing inorganic contaminants. 79 refs

  6. Evaluation of the inorganic selenium biotransformation in selenium-enriched yogurt by HPLC-ICP-MS.

    Science.gov (United States)

    Alzate, Adriana; Cañas, Benito; Pérez-Munguía, Sandra; Hernández-Mendoza, Hector; Pérez-Conde, Concepción; Gutiérrez, Ana Maria; Cámara, Carmen

    2007-11-28

    Selenium is an essential element in the human diet. Interestingly, there has been an increased consumption of dietary supplements containing this element in the form of either inorganic or organic compounds. The effect of using selenium as a dietary supplement in yogurt has been evaluated. For this purpose, different concentrations of inorganic Se (ranging from 0.2 to 5000 microg g(-1)) have been added to milk before the fermentation process. Biotransformation of inorganic Se into organic species has been carefully evaluated by ion-exchange, reversed-phase, or size-exclusion chromatography, coupled to inductively coupled plasma mass spectrometry (ICP-MS). Yogurt fermentation in the presence of up to 2 microg g(-1) of Se(IV) produces a complete incorporation of this element into proteins as has been demonstrated applying a dialysis procedure. Analysis by SEC-ICP-MS showed that most of them have a molecular mass in the range of 30-70 kDa. Species determination after enzymatic hydrolysis has allowed the identification of Se-cystine using two different chromatographic systems. The biotransformation process that takes place during yogurt fermentation is very attractive because yogurt can act as a source of selenium supplementation.

  7. Phonon properties and slow organic-to-inorganic sub-lattice thermalization in hybrid perovskites

    Science.gov (United States)

    Chan, Maria; Chang, Angela; Xia, Yi; Sadasivam, Sridhar; Guo, Peijun; Kinaci, Alper; Lin, Hao-Wu; Darancet, Pierre; Schaller, Richard

    Organic-inorganic hybrid perovskite halide compounds have been investigated extensively for photovoltaics (PVs) and related applications. The thermal transport properties of hybrid perovskites, including phonon-carrier and phonon-phonon interactions, are of significance for their PV and solar thermoelectric applications. The interlocking organic and inorganic sublattices can be thought of as an extreme form of nanostructuring. A result of this nanostructuring is the large gap in phonon frequencies between the organic and inorganic sublattices, which is expected to create bottlenecks in phonon equilibration. In this work, we use a combination of ultrafast spectroscopy including photoluminescence and transient absorption, as well as first principles density functional theory (DFT), ab initio molecular dynamics calculations, phonon lifetimes derived from DFT force constants, and non-equilibrium phonon dynamics accounting for phonon lifetimes, to determine the phonon and charge interaction processes. We find evidence that thermalization of carriers occur at an atypically slow 50-100 ps time scale owing to the complex interplay between electronic and phonon excitations.

  8. Chemical Form Matters: Differential Accumulation of Mercury Following Inorganic and Organic Mercury Exposures in Zebrafish Larvae

    Energy Technology Data Exchange (ETDEWEB)

    Korbas, Malgorzata; MacDonald, Tracy C.; Pickering, Ingrid J.; George, Graham N.; Krone, Patrick H. (Saskatchewan)

    2013-04-08

    Mercury, one of the most toxic elements, exists in various chemical forms each with different toxicities and health implications. Some methylated mercury forms, one of which exists in fish and other seafood products, pose a potential threat, especially during embryonic and early postnatal development. Despite global concerns, little is known about the mechanisms underlying transport and toxicity of different mercury species. To investigate the impact of different mercury chemical forms on vertebrate development, we have successfully combined the zebrafish, a well-established developmental biology model system, with synchrotron-based X-ray fluorescence imaging. Our work revealed substantial differences in tissue-specific accumulation patterns of mercury in zebrafish larvae exposed to four different mercury formulations in water. Methylmercury species not only resulted in overall higher mercury burdens but also targeted different cells and tissues than their inorganic counterparts, thus revealing a significant role of speciation in cellular and molecular targeting and mercury sequestration. For methylmercury species, the highest mercury concentrations were in the eye lens epithelial cells, independent of the formulation ligand (chloride versus L-cysteine). For inorganic mercury species, in absence of L-cysteine, the olfactory epithelium and kidney accumulated the greatest amounts of mercury. However, with L-cysteine present in the treatment solution, mercuric bis-L-cysteineate species dominated the treatment, significantly decreasing uptake. Our results clearly demonstrate that the common differentiation between organic and inorganic mercury is not sufficient to determine the toxicity of various mercury species.

  9. Solubility study of Tc(IV) oxides

    International Nuclear Information System (INIS)

    Liu, D.J.; Fan, X.H.

    2005-01-01

    The deep geological disposal of the high level radioactive wastes is expected to be a safer disposal method in most countries. The long-lived fission product 99 Tc is present in large quantities in nuclear wastes and its chemical behavior in aqueous solution is of considerable interest. Under oxidizing conditions technetium exists as the anionic species TcO 4 - whereas under the reducing conditions, expected to exist in a deep geological repository, it is generally predicted that technetium will be present as TcO 2 ·nH 2 O. Hence, the mobility of Tc(IV) in reducing groundwater may be limited by the solubility of TcO 2 ·nH 2 O under these conditions. Due to this fact it is important to investigate the solubility of TcO 2 ·nH 2 O. The solubility determines the release of radionuclides from waste form and is used as a source term in radionuclide migration analysis in performance assessment of radioactive waste repository. Technetium oxide was prepared by reduction of a technetate solution with Sn 2 + . The solubility of Tc(IV) oxide has been determined in simulated groundwater and redistilled water under aerobic and anaerobic conditions. The effects of pH and CO 3 2- concentration of solution on solubility of Tc(IV) oxide were studied. The concentration of total technetium and Tc(IV) species in the solutions were periodically determined by separating the oxidized and reduced technetium species using a solvent extraction procedure and counting the beta activity of the 99 Tc with a liquid scintillation counter. The experimental results show that the rate of oxidation of Tc(IV) in simulated groundwater and redistilled water is about (1.49-1.86) x 10 -9 mol/(L·d) under aerobic conditions, but Tc(IV) in simulated groundwater and redistilled water is not oxidized under anaerobic conditions. Under aerobic or anaerobic conditions the solubility of Tc(IV) oxide in simulated groundwater and redistilled water is equal on the whole after centrifugation or ultrafiltration. The

  10. Role of Fat-Soluble Vitamins in Osteoarthritis Management.

    Science.gov (United States)

    Zheng, Xiao-Yan; Liang, Jun; Li, Yu-Sheng; Tu, Min

    2018-04-01

    Osteoarthritis (OA) is a chronic degenerative joint disease, in which metabolic imbalance in bone is observed. The pathological mechanism of metabolic imbalance is not clear yet, but the nutritional factors, particularly the vitamins, might be intrinsic to the development and progression of OA. In this review article, we have explored databases such as PubMed, Scopus, and Google Scholar articles until the beginning of 2017 and reviewed the role of fat-soluble vitamins in pathological and therapeutic aspects of OA. Vitamin D plays an important role in the development and maintenance of the skeleton, as well as bone and cartilage metabolism, and its deficiency is implicated in the pathological process of OA. Vitamin E enhances chondrocyte growth and exhibits an anti-inflammatory activity, as well as plays an important role in the prevention of cartilage degeneration. In human OA cartilage, vitamin K deficiency produces abnormal growth plate calcification and inappropriate mineralization of cartilage. Thus, these fat-soluble vitamins play a key role in the pathophysiology of OA, and supplementation of these vitamins may provide innovative approaches for OA management. However, vitamin A has a different role, which is a regulator of cartilage and skeletal formation. When metabolite levels of vitamin A are elevated in synovial fluid, they appear to drive OA development. The role of inhibitors of vitamin A here remains unclear. More investigations are needed to examine the effects of fat-soluble vitamins on the various molecular pathways of OA, as well as to assess the efficacy and safety of their usage clinically.

  11. Chemical and microphysical properties of the aerosol during foggy and nonfoggy episodes: a relationship between organic and inorganic content of the aerosol

    Science.gov (United States)

    Kaul, D. S.; Gupta, T.; Tripathi, S. N.

    2012-06-01

    An extensive field measurement during winter was carried out at a site located in the Indo-Gangetic Plain (IGP) which gets heavily influenced by the fog during winter almost every year. The chemical and microphysical properties of the aerosols during foggy and nonfoggy episodes and chemical composition of the fogwater are presented. Positive matrix factorization (PMF) as a tool for the source apportionment was employed to understand the sources of pollution. Four major sources viz. biomass burning, refractory, secondary and mineral dust were identified. Aerosols properties during foggy episodes were heavily influenced by almost all the sources and they caused considerable loading of almost all the organic and inorganic species during the period. The biomass generated aerosols were removed from the atmosphere by scavenging during foggy episodes. The wet removal of almost all the species by the fog droplets was observed. The K+, water soluble organic carbon (WSOC), water soluble inorganic carbon (WSIC) and NO3- were most heavily scavenged among the species and their concentrations consequently became lower than the nonfoggy episode concentrations. The production of secondary inorganic aerosol, mainly sulfate and ammonium, during foggy episodes was considerably higher than nitrate which was rather heavily scavenged and removed by the fog droplets. The fogwater analysis showed that dissolved inorganic species play a vital role in processing of organic carbon such as the formation of organo-sulfate and organo-nitrate inside the fog droplets. The formation of organo-sulfate and organo-nitrate in aerosol and the influence of acidity on the secondary organic aerosol (SOA) formation were rather found to be negligible. The study average inorganic component of the aerosol was considerably higher than the carbonaceous component during both foggy and nonfoggy episode. The secondary production of the aerosol changed the microphysical properties of aerosol which was reflected by

  12. Influence of milling process on efavirenz solubility

    Directory of Open Access Journals (Sweden)

    Erizal Zaini

    2017-01-01

    Full Text Available Introduction: The aim of this study was to investigate the influence of the milling process on the solubility of efavirenz. Materials and Methods: Milling process was done using Nanomilling for 30, 60, and 180 min. Intact and milled efavirenz were characterized by powder X-ray diffraction, scanning electron microscopy (SEM, spectroscopy infrared (IR, differential scanning calorimetry (DSC, and solubility test. Results: The X-ray diffractogram showed a decline on peak intensity of milled efavirenz compared to intact efavirenz. The SEM graph depicted the change from crystalline to amorphous habit after milling process. The IR spectrum showed there was no difference between intact and milled efavirenz. Thermal analysis which performed by DSC showed a reduction on endothermic peak after milling process which related to decreasing of crystallinity. Solubility test of intact and milled efavirenz was conducted in distilled water free CO2with 0.25% sodium lauryl sulfate media and measured using high-performance liquid chromatography method with acetonitrile: distilled water (80:20 as mobile phases. The solubility was significantly increased (P < 0.05 after milling processes, which the intact efavirenz was 27.12 ± 2.05, while the milled efavirenz for 30, 60, and 180 min were 75.53 ± 1.59, 82.34 ± 1.23, and 104.75 ± 0.96 μg/mL, respectively. Conclusions: Based on the results, the solubility of efavirenz improved after milling process.

  13. Solubility of lithium deuteride in liquid lithium

    International Nuclear Information System (INIS)

    Veleckis, E.; Yonco, R.M.; Maroni, V.A.

    1977-01-01

    The solubility of LiD in liquid lithium between the eutectic and monotectic temperatures was measured using a direct sampling method. Solubilities were found to range from 0.0154 mol.% LiD at 199 0 C to 3.32 mol.% LiD at 498 0 C. The data were used in the derivation of an expression for the activity coefficient of LiD as a function of temperature and composition and an equation relating deuteride solubility and temperature, thus defining the liquidus curve. Similar equations were also derived for the Li-LiH system using the existing solubility data. Extrapolation of the liquidus curves yielded the eutectic concentrations (0.040 mol.% LiH and 0.035 mol.% LiD) and the freezing point depressions (0.23 0 C for Li-LiH and 0.20 0 C for Li-LiD) at the eutectic point. The results are compared with the literature data for hydrogen and deuterium. The implications of the relatively high solubility of hydrogen isotopes in lithium just above the melting point are discussed with respect to the cold trapping of tritium in fusion reactor blankets. (Auth.)

  14. Solubility studies of Np(IV)

    International Nuclear Information System (INIS)

    Zhang Yingjie; Yao Jun; Jiao Haiyang; Ren Lihong; Zhou Duo; Fan Xianhua

    2001-01-01

    The solubility of Np(IV) in simulated underground water and redistilled water has been measured with the variations of pH(6-12) and storage time (0-100 d) in the presence of reductant (Na 2 S 2 O 4 , metallic Fe). All experiments are performed in a low oxygen concentration glove box containing high purity Ar(99.99%), with an oxygen content of less than 5 x 10 -6 mol/mol. Experimental results show that the variation of pH in solution has little effect on the solubility of Np(IV) in the two kinds of water; the measured solubility of Np(IV) is affected by the composition of solution; with Na 2 S 2 O 4 as a reductant, the solubility of Np(IV) in simulated underground water is (9.23 +- 0.48) x 10 -10 mol/L, and that in redistilled water is (8.31 +- 0.35) x 10 -10 mol/L; with metallic Fe as a reductant, the solubility of Np(IV) in simulated underground water is (1.85 +- 0.56) x 10 -9 mol/L, and that in redistilled water is (1.48 +- 0.66) x 10 -9 mol/L

  15. Solubility of pllutonium in alkaline salt solutions

    International Nuclear Information System (INIS)

    Hobbs, D.T.; Edwards, T.B.

    1993-01-01

    Plutonium solubility data from several studies have been evaluated. For each data set, a predictive model has been developed where appropriate. In addition, a statistical model and corresponding prediction intervals for plutonium solubility as a quadratic function of the hydroxide concentration have been developed. Because of the wide range of solution compositions, the solubility of plutonium can vary by as much as three orders of magnitude for any given hydroxide concentration and still remain within the prediction interval. Any nuclear safety assessments that depend on the maximum amount of plutonium dissolved in alkaline salt solutions should use concentrations at least as great as the upper prediction limits developed in this study. To increase the confidence in the prediction model, it is recommended that additional solubility tests be conducted at low hydroxide concentrations and with all of the other solution components involved. To validate the model for application to actual waste solutions, it is recommended that the plutonium solubilities in actual waste solutions be determined and compared to the values predicted by the quadratic model

  16. 40 CFR Table 7 to Subpart Vvvvvv... - Partially Soluble HAP

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 14 2010-07-01 2010-07-01 false Partially Soluble HAP 7 Table 7 to... Pt. 63, Subpt. VVVVVV, Table 7 Table 7 to Subpart VVVVVV of Part 63—Partially Soluble HAP As required... partially soluble HAP listed in the following table. Partially soluble HAP name CAS No. 1. 1,1,1...

  17. Interlaboratory validation of small-scale solubility and dissolution measurements of poorly water-soluble drugs

    DEFF Research Database (Denmark)

    Andersson, Sara B. E.; Alvebratt, Caroline; Bevernage, Jan

    2016-01-01

    The purpose of this study was to investigate the interlaboratory variability in determination of apparent solubility (Sapp) and intrinsic dissolution rate (IDR) using a miniaturized dissolution instrument. Three poorly water-soluble compounds were selected as reference compounds and measured at m...

  18. Effect of cyclodextrin complexation on the aqueous solubility and solubility/dose ratio of praziquantel.

    Science.gov (United States)

    Maragos, Stratos; Archontaki, Helen; Macheras, Panos; Valsami, Georgia

    2009-01-01

    Praziquantel (PZQ), the primary drug of choice in the treatment of schistosomiasis, is a highly lipophilic drug that possesses high permeability and low aqueous solubility and is, therefore, classified as a Class II drug according to the Biopharmaceutics Classification System (BCS). In this work, beta-cyclodextrin (beta-CD) and hydroxypropyl-beta-cyclodextrin (HP-beta-CD) were used in order to determine whether increasing the aqueous solubility of a drug by complexation with CDs, a BCS-Class II compound like PZQ could behave as BCS-Class I (highly soluble/highly permeable) drug. Phase solubility and the kneading and lyophilization techniques were used for inclusion complex preparation; solubility was determined by UV spectroscopy. The ability of the water soluble polymer polyvinylpyrolidone (PVP) to increase the complexation and solubilization efficiency of beta-CD and HP-beta-CD for PZQ was examined. Results showed significant improvement of PZQ solubility in the presence of both cyclodextrins but no additional effect in the presence of PVP. The solubility/dose ratios values of PZQ-cyclodextrin complexes calculated considering the low (150 mg) and the high dose (600 mg) of PZQ, used in practice, indicate that PZQ complexation with CDs may result in drug dosage forms that would behave as a BCS-Class I depending on the administered dose.

  19. β-Cyclodextrin-dextran polymers for the solubilization of poorly soluble drugs

    DEFF Research Database (Denmark)

    Di Cagno, Massimiliano; Nielsen, Thorbjørn Terndrup; Lambertsen Larsen, Kim

    2014-01-01

    The aim of this work was to assess the potential of β-cyclodextrin (β-CD)-dextran polymers for drug delivery, in terms of molecular mass, the complexation reaction mechanism using a model drug, and solubilization efficiency for examples of poorly soluble model drugs. For this purpose size analysis...... of different β-CD-dextrans was carried out by both size exclusion chromatography (SEC) and flow field-flow fractionation (FFF). All investigated polymers were of appropriate sizes for potential parenteral administration. Mass/mass percentage ratio between β-CD units and dextran backbones where measured by both...... of solubilization efficiencies, phase-solubility diagrams where made employing two poorly soluble model drugs, one dissociating (ibuprofen, IBP) and one pH independent (hydrocortisone, HC). Thermodynamic results demonstrated that the presence of the dextran-back bone structure improves complexation efficiency...

  20. Zeta potential control in decontamination with inorganic membranes and inorganic adsorbents

    Energy Technology Data Exchange (ETDEWEB)

    Andalaft, E; Vega, R; Correa, M; Araya, R; Loyola, P [Comision Chilena de Energia Nuclear, Santiago (Chile)

    1997-02-01

    The application of some advanced separation processes such as microfiltration and ultrafiltration, electroosmosis and electrodialysis for treating nuclear waste from different aqueous streams is under examination at the Chilean Commission for Nuclear Energy. The application of these techniques can be extended to regular industrial wastes when economically advisable. This report deals mainly with electrodialysis, electroosmosis and adsorption with inorganic materials. Special attention is paid to zeta potential control as a driving factor to electroosmosis. For radioactive contaminants that are present in the form of cations, anions, non-ionic solutions, colloids and suspended matter, appropriate combination of the processes may considerably increase the efficiency of processes used. As an example, colloids and suspended particles may be retained in porous ceramic membranes by nanofiltration, ultrafiltration or microfiltration depending on the particle size of the particles. The control of zeta potential by acting in the solid phase or else on the liquid phase has been studied; a mathematical model to predict electrodialysis data has been developed, and finally, the use of a home-made inorganic adsorbent illustrated. The effect of gamma irradiation on the membranes has also been studied. Properties such as salt retention, water flux and pore size diameter determined on both organic and inorganic membranes before and after irradiation indicate deterioration of the organic membrane. (author). 13 refs, 15 figs, 2 tabs.

  1. Artificial inorganic Biohybrids: the functional combination of microorganisms and cells with inorganic materials.

    Science.gov (United States)

    Holzmeister, Ib; Schamel, Martha; Groll, Jürgen; Gbureck, Uwe; Vorndran, Elke

    2018-04-23

    Biohybrids can be defined as the functional combination of proteins, viable cells or microorganisms with non-biological materials. This article reviews recent findings on the encapsulation of microorganisms and eukaryotic cells in inorganic matrices such as silica gels or cements. The entrapment of biological entities into a support material is of great benefit for processing since the encapsulation matrix protects sensitive cells from shear forces, unfavourable pH changes, or cytotoxic solvents, avoids culture-washout, and simplifies the separation of formed products. After reflecting general aspects of such an immobilization as well as the chemistry of the inorganic matrices, we focused on manufacturing aspects and the application of such biohybrids in biotechnology, medicine as well as in environmental science and for civil engineering purpose. The encapsulation of living cells and microorganisms became an intensively studied and rapidly expanding research field with manifold applications in medicine, bio- and environmental technology, or civil engineering. Here, the use of silica or cements as encapsulation matrices have the advantage of a higher chemical and mechanical resistance towards harsh environmental conditions during processing compared to their polymeric counterparts. In this perspective, the article gives an overview about the inorganic material systems used for cell encapsulation, followed by reviewing the most important applications. The future may lay in a combination of the currently achieved biohybrid systems with additive manufacturing techniques. In a longer perspective, this would enable the direct printing of cell loaded bioreactor components. Copyright © 2018. Published by Elsevier Ltd.

  2. Zeta potential control in decontamination with inorganic membranes and inorganic adsorbents

    International Nuclear Information System (INIS)

    Andalaft, E.; Vega, R.; Correa, M.; Araya, R.; Loyola, P.

    1997-01-01

    The application of some advanced separation processes such as microfiltration and ultrafiltration, electroosmosis and electrodialysis for treating nuclear waste from different aqueous streams is under examination at the Chilean Commission for Nuclear Energy. The application of these techniques can be extended to regular industrial wastes when economically advisable. This report deals mainly with electrodialysis, electroosmosis and adsorption with inorganic materials. Special attention is paid to zeta potential control as a driving factor to electroosmosis. For radioactive contaminants that are present in the form of cations, anions, non-ionic solutions, colloids and suspended matter, appropriate combination of the processes may considerably increase the efficiency of processes used. As an example, colloids and suspended particles may be retained in porous ceramic membranes by nanofiltration, ultrafiltration or microfiltration depending on the particle size of the particles. The control of zeta potential by acting in the solid phase or else on the liquid phase has been studied; a mathematical model to predict electrodialysis data has been developed, and finally, the use of a home-made inorganic adsorbent illustrated. The effect of gamma irradiation on the membranes has also been studied. Properties such as salt retention, water flux and pore size diameter determined on both organic and inorganic membranes before and after irradiation indicate deterioration of the organic membrane. (author). 13 refs, 15 figs, 2 tabs

  3. Methods for calculation of engineering parameters for gas separation. [vapor pressure and solubility of gases in organic liquids

    Science.gov (United States)

    Lawson, D. D.

    1979-01-01

    A group additivity method is generated which allows estimation, from the structural formulas alone, of the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. Using these two parameters and appropriate thermodynamic relations, the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids are predicted. It is also possible to use the data to evaluate organic and some inorganic liquids for use in gas separation stages or liquids as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

  4. Design, Structure, and Optical Properties of Organic-Inorganic Perovskites Containing an Oligothiophene Chromophore.

    Science.gov (United States)

    Mitzi, David B.; Chondroudis, Konstantinos; Kagan, Cherie R.

    1999-12-27

    A quaterthiophene derivative, 5,5' "-bis(aminoethyl)-2,2':5',2' ':5' ',2' "-quaterthiophene (AEQT), has been selected for incorporation within the layered organic-inorganic perovskite structure. In addition to having an appropriate molecular shape and two tethering aminoethyl groups to bond to the inorganic framework, AEQT is also a dye and can influence the optical properties of lead(II) halide-based perovskites. Crystals of C(20)H(22)S(4)N(2)PbBr(4) were grown from a slowly cooled aqueous solution containing lead(II) bromide and quaterthiophene derivative (AEQT.2HBr) salts. The new layered perovskite adopts a monoclinic (C2/c) subcell with the lattice parameters a = 39.741(2) Å, b = 5.8420(3) Å, c = 11.5734(6) Å, beta = 92.360(1) degrees, and Z = 4. Broad superstructure peaks are observed in the X-ray diffraction data, indicative of a poorly ordered, doubled supercell along both the a and b axes. The quaterthiophene segment of AEQT(2+) is nearly planar, with a syn-anti-syn relationship between adjacent thiophene rings. Each quaterthiophene chromophore is ordered between nearest-neighbor lead(II) bromide sheets in a herringbone arrangement with respect to neighboring quaterthiophenes. Room temperature optical absorption spectra for thermally ablated films of the perovskites (AEQT)PbX(4) (X = Cl, Br, I) exhibit an exciton peak arising from the lead(II) halide sheets, along with absorption from the quaterthiophene moiety. No evidence of the inorganic sheet excitonic transition is observed in the photoluminescence spectra for any of the chromophore-containing perovskites. However, strong quaterthiophene photoluminescence is observed for X = Cl, with an emission peak at approximately lambda(max) = 532 nm. Similar photoluminescence is observed for the X = Br and I materials, but with substantial quenching, as the inorganic layer band gap decreases relative to the chromophore HOMO-LUMO gap.

  5. Solubilities of boric acid in heavy water

    International Nuclear Information System (INIS)

    Nakai, Shigetsugu; Aoi, Hideki; Hayashi, Ken-ichi; Katoh, Taizo; Watanabe, Takashi.

    1988-01-01

    A gravimetric analysis using meta-boric acid (HBO 2 or DBO 2 ) as a weighing form has been developed for solubility measurement. The method gave satisfactory results in preliminary measurement of solubilities of boric acid in light water. By using this method, the solubilities of 10 B enriched D 3 BO 3 in heavy water were measured. The results are as follows; 2.67 (7deg C), 3.52 (15deg C), 5.70 (30deg C), 8.87 (50deg C) and 12.92 (70deg C) w/o, respectively. These values are about 10% lower than those in light water. Thermodynamical consideration based on the data shows that boric acid is the water structure breaker. (author)

  6. Resveratrol cocrystals with enhanced solubility and tabletability.

    Science.gov (United States)

    Zhou, Zhengzheng; Li, Wanying; Sun, Wei-Jhe; Lu, Tongbu; Tong, Henry H Y; Sun, Changquan Calvin; Zheng, Ying

    2016-07-25

    Two new 1:1 cocrystals of resveratrol (RES) with 4-aminobenzamide (RES-4ABZ) and isoniazid (RES-ISN) were synthesized by liquid assisted grinding (LAG) and rapid solvent removal (RSR) methods using ethanol as solvent. Their physiochemical properties were characterized using PXRD, DSC, solid state and solution NMR, FT-IR, and HPLC. Pharmaceutically relevant properties, including tabletability, solubility, intrinsic dissolution rate, and hygroscopicity, were evaluated. Temperature-composition phase diagram for RES-ISN cocrystal system was constructed from DSC data. Both cocrystals show higher solubility than resveratrol over a broad range of pH. They are phase stable and non-hygroscopic even under high humidity conditions. Importantly, both cocrystals exhibit improved solubility and tabletability compared with RES, which make them more suitable candidates for tablet formulation development. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. AW-101 entrained solids - Solubility versus temperature

    International Nuclear Information System (INIS)

    GJ Lumetta; RC Lettau; GF Piepel

    2000-01-01

    This report describes the results of a test conducted by Battelle to assess the solubility of the solids entrained in the diluted AW-101 low-activity waste (LAW) sample. BNFL requested Battelle to dilute the AW-1-1 sample using de-ionized water to mimic expected plant operating conditions. BNFL further requested Battelle to assess the solubility of the solids present in the diluted AW-101 sample versus temperature conditions of 30, 40, and 50 C. BNFL requested these tests to assess the composition of the LAW supernatant and solids versus expected plant-operating conditions. The work was conducted according to test plan BNFL-TP-29953-7, Rev. 0, Determination of the Solubility of LAW Entrained Solids. The test went according to plan, with no deviations from the test plan

  8. A framework for API solubility modelling

    DEFF Research Database (Denmark)

    Conte, Elisa; Gani, Rafiqul; Crafts, Peter

    . In addition, most of the models are not predictive and requires experimental data for the calculation of the needed parameters. This work aims at developing an efficient framework for the solubility modelling of Active Pharmaceutical Ingredients (API) in water and organic solvents. With this framework......-SAFT) are used for solubility calculations when the needed interaction parameters or experimental data are available. The CI-UNIFAC is instead used when the previous models lack interaction parameters or when solubility data are not available. A new GC+ model for APIs solvent selection based...... on the hydrophobicity, hydrophilicity and polarity information of the API and solvent is also developed, for performing fast solvent selection and screening. Eventually, all the previous developments are integrated in a framework for their efficient and integrated use. Two case studies are presented: the first...

  9. Solubility of iron in liquid lead

    International Nuclear Information System (INIS)

    Ali-Khan, I.

    1981-01-01

    The use of liquid lead in high temperature chemical and metallurgical processes is well known. The structural materials applied for the containment of these processes are either iron base alloys or possess iron as an alloying element. Besides that, lead itself is alloyed in some steels to achieve some very useful properties. For understanding the effect of liquid lead in such structural materials, it is important to determine the solubility of iron in liquid lead which would also be indicative of the stability of these alloys. At the institute of reactor materials of KFA Juelich, investigations have been conducted to determine the solubility of iron in liquid lead up to a temperature of about 1000 0 C. In this presentation the data concerning the solubility of iron in liquid lead are brought up to date and discussed including the results of our previous investigations. (orig.)

  10. Equilibrium Solubility of CO2 in Alkanolamines

    DEFF Research Database (Denmark)

    Waseem Arshad, Muhammad; Fosbøl, Philip Loldrup; von Solms, Nicolas

    2014-01-01

    Equilibrium solubility of CO2 were measured in aqueous solutions of Monoethanolamine (MEA) and N,N-diethylethanolamine(DEEA). Equilibrium cells are generally used for these measurements. In this study, the equilibrium data were measured from the calorimetry. For this purpose a reaction calorimeter...... (model CPA 122 from ChemiSens AB, Sweden) was used. The advantage of this method is being the measurement of both heats of absorption and equilibrium solubility data of CO2 at the same time. The measurements were performed for 30 mass % MEA and 5M DEEA solutions as a function of CO2 loading at three...... different temperatures 40, 80 and 120 ºC. The measured 30 mass % MEA and 5M DEEA data were compared with the literature data obtained from different equilibrium cells which validated the use of calorimeters for equilibrium solubility measurements....

  11. Kinetic Control of Aqueous Hydrolysis: Modulating Structure/Property Relationships in Inorganic Crystals

    Science.gov (United States)

    Neilson, James R.

    2011-12-01

    A grand challenge in materials science and chemistry revolves around the preparation of materials with desired properties by controlling structure on multiple length scales. Biology approaches this challenge by evolving tactics to transform soluble precursors into materials and composites with macro-scale and atomic precision. Studies of biomineralization in siliceous sponges led to the discovery of slow, catalytic hydrolysis of molecular precursors in the biogenesis of silica skeletal elements with well defined micro- and nano-scale architectures. However, the role of aqueous hydrolysis in the limit of kinetic control is not well understood; this allows us to form a central hypothesis: that the kinetics of hydrolysis modulate the structures of materials and their properties. As a model system, the diffusion of a simple hydrolytic catalyst (such as ammonia) across an air-water interface into a metal salt solution reproduces some aspects of the chemistry found in biomineralization, namely kinetic and vectorial control. Variation of the catalyst concentration modulates the hydrolysis rate, and thus alters the resulting structure of the inorganic crystals. Using aqueous solutions of cobalt(II) chloride, each product (cobalt hydroxide chloride) forms with a unique composition, despite being prepared from identical mother liquors. Synchrotron X-ray total scattering methods are needed to locate the atomic positions in the material, which are not aptly described by a traditional crystallographic unit cell due to structural disorder. Detailed definition of the structure confirms that the hydrolysis conditions systematically modulate the arrangement of atoms in the lattice. This tightly coupled control of crystal formation and knowledge of local and average structures of these materials provides insight into the unusual magnetic properties of these cobalt hydroxides. The compounds studied show significant and open magnetization loops with little variation with composition

  12. Catalytic hydrotreating of lignin with water-soluble molybdenum catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Osmaa, A.; Johansson, A. (Technical Research Centre of Finland, Espoo (Finland). Lab. of Fuel and Process Technology)

    High yields (61% of the original lignin) of low molecular weight oil (84% of the oil eluted through GC) have been obtained by hydrotreating kraft pine lignin with a water-soluble molybdenum catalyst at 430[degree]C for 60 min. The main compounds in the product oil were phenols (8.7% of the original lignin), cyclohexanes (5.0%), benzenes (3.8%), naphthalenes (4.0%), and phenanthrenes (1.2%). The degree of hydrodeoxygenation was 98%. The quality (measured by GPC and GC) of the product was as good as when using more expensive solid NiMo-CR[sub 2]O[sub 3] catalysts. 30 refs., 6 tabs.

  13. Respiratory carcinogenicity assessment of soluble nickel compounds.

    Science.gov (United States)

    Oller, Adriana R

    2002-10-01

    The many chemical forms of nickel differ in physicochemical properties and biological effects. Health assessments for each main category of nickel species are needed. The carcinogenicity assessment of water-soluble nickel compounds has proven particularly difficult. Epidemiologic evidence indicates an association between inhalation exposures to nickel refinery dust containing soluble nickel compounds and increased risk of respiratory cancers. However, the nature of this association is unclear because of limitations of the exposure data, inconsistent results across cohorts, and the presence of mixed exposures to water-insoluble nickel compounds and other confounders that are known or suspected carcinogens. Moreover, well-conducted animal inhalation studies, where exposures were solely to soluble nickel, failed to demonstrate a carcinogenic potential. Similar negative results were seen in animal oral studies. A model exists that relates respiratory carcinogenic potential to the bioavailability of nickel ion at nuclear sites within respiratory target cells. This model helps reconcile human, animal, and mechanistic data for soluble nickel compounds. For inhalation exposures, the predicted lack of bioavailability of nickel ion at target sites suggests that water-soluble nickel compounds, by themselves, will not be complete human carcinogens. However, if inhaled at concentrations high enough to induce chronic lung inflammation, these compounds may enhance carcinogenic risks associated with inhalation exposure to other substances. Overall, the weight of evidence indicates that inhalation exposure to soluble nickel alone will not cause cancer; moreover, if exposures are kept below levels that cause chronic respiratory toxicity, any possible tumor-enhancing effects (particularly in smokers) would be avoided.

  14. SITE-94. Radionuclide solubilities for SITE-94

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.; Apted, M. [QuantiSci, Denver, CO (United States)

    1996-12-01

    In this report, solubility constraints are evaluated on radioelement source-term concentrations supporting the SITE-94 performance assessment. Solubility models are based on heterogeneous-equilibrium, mass- and charge-balance constraints incorporated into the EQ3/6 geochemical software package, which is used to calculate the aqueous speciation behavior and solubilities of U, Th, Pu, Np, Am, Ni, Ra, Se, Sn, Sr, Tc and Zr in site groundwaters and near-field solutions. The chemical evolution of the near field is approximated using EQ3/6 in terms of limiting conditions at equilibrium, or steady state, in three closed systems representing fully saturated bentonite, Fe{sup o} corrosion products of the canister, and spent fuel. The calculations consider both low-temperature (15 deg C) and high-temperature (80 deg C) conditions in the near field, and the existence of either reducing or strongly oxidizing conditions in each of the bentonite, canister, and spent-fuel barriers. Heterogeneities in site characteristics are evaluated through consideration of a range of initial groundwaters and their interactions with engineered barriers. Aqueous speciation models for many radioelements are constrained by thermodynamic data that are estimated with varying degrees of accuracy. An important question, however, is how accurate do these models need to be for purposes of estimating source-term concentrations? For example, it is unrealistic to expect a high degree of accuracy in speciation models if such models predict solubilities that are below the analytical detection limit for a given radioelement. From a practical standpoint, such models are irrelevant if calculated solubilities cannot be tested by direct comparison to experimental data. In the absence of models that are both accurate and relevant for conditions of interest, the detection limit could define a pragmatic upper limit on radioelement solubility 56 refs, 25 tabs, 10 figs

  15. SITE-94. Radionuclide solubilities for SITE-94

    International Nuclear Information System (INIS)

    Arthur, R.; Apted, M.

    1996-12-01

    In this report, solubility constraints are evaluated on radioelement source-term concentrations supporting the SITE-94 performance assessment. Solubility models are based on heterogeneous-equilibrium, mass- and charge-balance constraints incorporated into the EQ3/6 geochemical software package, which is used to calculate the aqueous speciation behavior and solubilities of U, Th, Pu, Np, Am, Ni, Ra, Se, Sn, Sr, Tc and Zr in site groundwaters and near-field solutions. The chemical evolution of the near field is approximated using EQ3/6 in terms of limiting conditions at equilibrium, or steady state, in three closed systems representing fully saturated bentonite, Fe o corrosion products of the canister, and spent fuel. The calculations consider both low-temperature (15 deg C) and high-temperature (80 deg C) conditions in the near field, and the existence of either reducing or strongly oxidizing conditions in each of the bentonite, canister, and spent-fuel barriers. Heterogeneities in site characteristics are evaluated through consideration of a range of initial groundwaters and their interactions with engineered barriers. Aqueous speciation models for many radioelements are constrained by thermodynamic data that are estimated with varying degrees of accuracy. An important question, however, is how accurate do these models need to be for purposes of estimating source-term concentrations? For example, it is unrealistic to expect a high degree of accuracy in speciation models if such models predict solubilities that are below the analytical detection limit for a given radioelement. From a practical standpoint, such models are irrelevant if calculated solubilities cannot be tested by direct comparison to experimental data. In the absence of models that are both accurate and relevant for conditions of interest, the detection limit could define a pragmatic upper limit on radioelement solubility

  16. Hydrogen solubility in austenite of Fe-Ni-Cr alloys

    International Nuclear Information System (INIS)

    Zhirnova, V.V.; Mogutnov, B.M.; Tomilin, I.A.

    1981-01-01

    Hydrogen solubility in Fe-Ni-Cr alloys at 600-1000 deg C is determined. Hydrogen solubility in ternary alloys can not be predicted on the basis of the data on its solubility in binary Fe-Ni, Fe-Cr alloys. Chromium and nickel effect on hydrogen solubility in iron is insignificant in comparison with the effect of these elements on carbon or nitrogen solubility [ru

  17. Identification of water-soluble heavy crude oil organic-acids, bases, and neutrals by electrospray ionization and field desorption ionization fourier transform ion cyclotron resonance mass spectrometry.

    Science.gov (United States)

    Stanford, Lateefah A; Kim, Sunghwan; Klein, Geoffrey C; Smith, Donald F; Rodgers, Ryan P; Marshall, Alan G

    2007-04-15

    We identify water-soluble (23 degrees C) crude oil NSO nonvolatile acidic, basic, and neutral crude oil hydrocarbons by negative-ion ESI and continuous flow FD FT-ICR MS at an average mass resolving power, m/deltam50% = 550,000. Of the 7000+ singly charged acidic species identified in South American crude oil, surprisingly, many are water-soluble, and much more so in pure water than in seawater. The truncated m/z distributions for water-soluble components exhibit preferential molecular weight, size, and heteroatom class influences on hydrocarbon solubility. Acidic water-soluble heteroatomic classes detected at >1% relative abundance include O, O2, O3, O4, OS, O2S, O3S, O4S, NO2, NO3, and NO4. Parent oil class abundance does not directly relate to abundance in the water-soluble fraction. Acidic oxygen-containing classes are most prevalent in the water-solubles, whereas acidic nitrogen-containing species are least soluble. In contrast to acidic nitrogen-containing heteroatomic classes, basic nitrogen classes are water-soluble. Water-soluble heteroatomic basic classes detected at >1% relative abundance include N, NO, NO2, NS, NS2, NOS, NO2S, N2, N2O, N2O2, OS, O2S, and O2S2.

  18. Hydrogen terminal solubility in Zircaloy-4

    International Nuclear Information System (INIS)

    Vizcaino, Pablo; Banchik, Abrahan D.

    1999-01-01

    Terminal solubility temperature of hydrogen in zirconium and its alloys is an important parameter because hydrides precipitation embrittled these materials making them susceptible to the phenomenon known as retarded hydrogen cracking. This work continues the study presented in the 25 AATN Meeting. Within this framework, a study focused on determining these curves in recrystallized Zircaloy-4, using scanning differential calorimetric technique. Terminal solubility curves for Zircaloy-4 were constructed within a concentration range from 40 to 640 ppm in hydrogen weight and comparisons with results obtained by other authors were made. (author)

  19. Nitrogen solubility in nickel base multicomponent melts

    International Nuclear Information System (INIS)

    Bol'shov, L.A.; Stomakhin, A.Ya.; Sokolov, V.M.; Teterin, V.G.

    1984-01-01

    Applicability of various methods for calculation of nitrogen solubility in high-alloyed nickel base alloys, containing Cr, Fe, W, Mo, Ti, Nb, has been estimated. A possibility is shown to use the formUla, derived for the calculation of nitrogen solubility in iron on the basis of statistical theory for a grid model of solution which does not require limitations for the content of a solvent component. The calculation method has been used for nickel alloys, with the concentration of solvent, iron, being accepted equal to zero, and employing parameters of nitrogen interaction as determined for iron-base alloys

  20. Effect of amides on lithium tetraborate solubility

    Energy Technology Data Exchange (ETDEWEB)

    Tsekhanskij, R S; Skvortsov, V C; Molodkin, A K; Sadetdi-pov, Sh V [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (USSR); Universitet Druzhby Narodov, Moscow (USSR))

    1983-03-01

    Using the methods of solubility, densi- and refractometry at 25 deg C, it has been established that the systems lithium tetraborate-formamide (acetamide, dimethyl-formamide)-water are of a simple eutonic type. Amides decrease the salt solubility. Lyotropic effect, as calculated for molar concentrations (-Lsub(M)) relative to the absolute value, increases from formamide to dimethyl-formamide. The sequence is determined by the fact that, when there is one or two hydrophilic methyl groups in amide molecules which are in contact with tetraborate, they decrease the hydration energy of lithium cations.

  1. Effect of amides on sodium tetraborate solubility

    International Nuclear Information System (INIS)

    Tsekhanskij, R.S.; Skvortsov, V.G.; Molodkin, A.K.; Sadetdinov, Sh.V.

    1986-01-01

    Methods of solubility and refractometry at 25 deg C were applied to investigate sodium tetraborate - formamide (dimethylformamide) - water systems. It is stated that they are of simple eutonic type as well as the earlier described sodium tetraborate-acetamide-water system. Amides reduce solubility of the salt. The effect of contact interaction between dissolved substances on salt cation hydration and thus on the value of liotropic amide effect is confirmed. This value is found to be also depend on the number of molecules of coordination water in the initial crystalline hydrate

  2. Effect of amides on lithium tetraborate solubility

    International Nuclear Information System (INIS)

    Tsekhanskij, R.S.; Skvortsov, V.C.; Molodkin, A.K.; Sadetdi- pov, Sh.V.

    1983-01-01

    Using the methods of solubility, densi- and refractometry at 25 deg C, it has been established that the systemS lithium tetraborate-formamide (acetamide, dimethyl-formamide)-water are of a simple eutonic type. Amides decrease the salt solubility. Lyotropic effect, as calculated for molar concentrations (-Lsub(M)) relative to the absolute value, increases from formamide to dimethylformamide. The sequence is determined by the fact that, when there is one or two hydrophilic methyl groups in amide molecules which are in contact with tetraborate, they decrease the hydration energy of lithium cations

  3. Effect of amides on sodium tetraborate solubility

    Energy Technology Data Exchange (ETDEWEB)

    Tsekhanskij, R S; Skvortsov, V G; Molodkin, A K; Sadetdinov, Sh V

    1986-11-01

    Methods of solubility and refractometry at 25 deg C were applied to investigate sodium tetraborate - formamide (dimethylformamide) - water systems. It is stated that they are of simple eutonic type as well as the earlier described sodium tetraborate-acetamide-water system. Amides reduce solubility of the salt. The effect of contact interaction between dissolved substances on salt cation hydration and thus on the value of liotropic amide effect is confirmed. This value is found to be also depend on the number of molecules of coordination water in the initial crystalline hydrate.

  4. Modeling of Salt Solubilities in Mixed Solvents

    DEFF Research Database (Denmark)

    Chiavone-Filho, O.; Rasmussen, Peter

    2000-01-01

    A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Huckel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters. The Debye-Huckel model is extended to mixed solvents by properly evaluating the dielectric...... constants and the liquid densities of the solvent media. To normalize the activity coefficients, the symmetric convention is adopted. Thermochemical properties of the salt are used to estimate the solubility product. It is shown that the proposed procedure can describe with good accuracy a series of salt...

  5. Soluble salt removal from MSWI fly ash and its stabilization for safer disposal and recovery as road basement material.

    Science.gov (United States)

    Colangelo, F; Cioffi, R; Montagnaro, F; Santoro, L

    2012-06-01

    Fly ash from municipal solid waste incinerators (MSWI) is classified as hazardous in the European Waste Catalogue. Proper stabilization processes should be required before any management option is put into practice. Due to the inorganic nature of MSWI fly ash, cementitious stabilization processes are worthy of consideration. However, the effectiveness of such processes can be severely compromised by the high content of soluble chlorides and sulphates. In this paper, a preliminary washing treatment has been optimized to remove as much as possible soluble salts by employing as little as possible water. Two different operating conditions (single-step and two-step) have been developed to this scope. Furthermore, it has been demonstrated that stabilized systems containing 20% of binder are suitable for safer disposal as well as for material recovery in the field of road basement (cement bound granular material layer). Three commercially available cements (pozzolanic, limestone and slag) have been employed as binders. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Molecular characterization, light-dependent expression, and cellular localization of a host vacuolar-type H+-ATPase (VHA) subunit A in the giant clam, Tridacna squamosa, indicate the involvement of the host VHA in the uptake of inorganic carbon and its supply to the symbiotic zooxanthellae.

    Science.gov (United States)

    Ip, Yuen K; Hiong, Kum C; Lim, Leon J Y; Choo, Celine Y L; Boo, Mel V; Wong, Wai P; Neo, Mei L; Chew, Shit F

    2018-06-15

    The giant clam, Tridacna squamosa, represents a clam-zooxanthellae association. In light, the host clam and the symbiotic zooxanthellae conduct light-enhanced calcification and photosynthesis, respectively. We had cloned the cDNA coding sequence of a Vacuolar-type Proton ATPase (VHA) subunit A, ATP6V1A, from T. squamosa, whereby the VHA is an electrogenic transporter that actively 'pumps' H + out of the cell. The ATP6V1A of T. squamosa comprised 1866 bp, encoding a protein of 622 amino acids and 69.9 kDa, and had a host-origin. Its gene expression was strong in the ctenidium and the colorful outer mantle, but weak in the whitish inner mantle, corroborating a previous proposition that VHA might have a trivial role in light-enhanced calcification. Light exposure led to significant increases in the gene and protein expression levels of ATP6V1A/ATP6V1A in the ctenidium and the outer mantle. In the ctenidium, the ATP6V1A was localized in the apical epithelia of the filaments and tertiary water channels, indicating that the VHA could participate in the increased excretion of H + produced during light-enhanced calcification. Additionally, the excreted H + would augment HCO 3 - dehydration in the external medium and facilitate the uptake of CO 2 by the ctenidium during insolation. In the outer mantle, the ATP6V1A was detected in intracellular vesicles in a type of cells, presumably iridocytes, surrounding the zooxanthellal tubules, and in the apical epithelium of zooxanthellal tubules. Hence, the host VHA could participate in the transfer of inorganic carbon from the hemolymph to the luminal fluid of the tubules by increasing the supply of H + for the dehydration of HCO 3 - to CO 2 during insolation to benefit the photosynthesizing zooxanthellae. Copyright © 2018 Elsevier B.V. All rights reserved.

  7. Review: Impacts of permafrost degradation on inorganic chemistry of surface fresh water

    Science.gov (United States)

    Colombo, Nicola; Salerno, Franco; Gruber, Stephan; Freppaz, Michele; Williams, Mark; Fratianni, Simona; Giardino, Marco

    2018-03-01

    Recent studies have shown that climate change is impacting the inorganic chemical characteristics of surface fresh water in permafrost areas and affecting aquatic ecosystems. Concentrations of major ions (e.g., Ca2 +, Mg2 +, SO42 -, NO3-) can increase following permafrost degradation with associated deepening of flow pathways and increased contributions of deep groundwater. In addition, thickening of the active layer and melting of near-surface ground ice can influence inorganic chemical fluxes from permafrost into surface water. Permafrost degradation has also the capability to modify trace element (e.g., Ni, Mn, Al, Hg, Pb) contents in surface water. Although several local and regional modifications of inorganic chemistry of surface fresh water have been attributed to permafrost degradation, a comprehensive review of the observed changes is lacking. The goal of this paper is to distil insight gained across differing permafrost settings through the identification of common patterns in previous studies, at global scale. In this review we focus on three typical permafrost configurations (pervasive permafrost degradation, thermokarst, and thawing rock glaciers) as examples and distinguish impacts on (i) major ions and (ii) trace elements. Consequences of warming climate have caused spatially-distributed progressive increases of major ion and trace element delivery to surface fresh water in both polar and mountain areas following pervasive permafrost degradation. Moreover, localised releases of major ions and trace elements to surface water due to the liberation of soluble materials sequestered in permafrost and ground ice have been found in ice-rich terrains both at high latitude (thermokarst features) and high elevation (rock glaciers). Further release of solutes and related transport to surface fresh water can be expected under warming climatic conditions. However, complex interactions among several factors able to influence the timing and magnitude of the impacts

  8. Solubility enhancement of BCS Class II drug by solid phospholipid dispersions: Spray drying versus freeze-drying.

    Science.gov (United States)

    Fong, Sophia Yui Kau; Ibisogly, Asiye; Bauer-Brandl, Annette

    2015-12-30

    The poor aqueous solubility of BCS Class II drugs represents a major challenge for oral dosage form development. Using celecoxib (CXB) as model drug, the current study adopted a novel solid phospholipid nanoparticle (SPLN) approach and compared the effect of two commonly used industrial manufacturing methods, spray- and freeze-drying, on the solubility and dissolution enhancement of CXB. CXB was formulated with Phospholipoid E80 (PL) and trehalose at different CXB:PL:trehalose ratios, of which 1:10:16 was the optimal formulation. Spherical amorphous SPLNs with average diameters <1μm were produced by spray-drying; while amorphous 'matrix'-like structures of solid PL dispersion with larger particle sizes were prepared by freeze-drying. Formulations from both methods significantly enhanced the dissolution rates, apparent solubility, and molecularly dissolved concentration of CXB in phosphate buffer (PBS, pH 6.5) and in biorelevant fasted state simulated intestinal fluid (FaSSIF, pH 6.5) (p<0.05). While similar dissolution rates were found, the spray-dried SPLNs had a larger enhancement in apparent solubility (29- to 132-fold) as well as molecular solubility (18-fold) of CXB at equilibrium (p<0.05). The strong capability of the spray-dried SPLNs to attain 'true' supersaturation state makes them a promising approach for bioavailability enhancement of poorly soluble drugs. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Enzymatic hydrolysis of starch in the presence of cereal soluble fibre polysaccharides.

    Science.gov (United States)

    Dhital, Sushil; Dolan, Grace; Stokes, Jason R; Gidley, Michael J

    2014-03-01

    The in vitro amylolysis of both granular and cooked maize starch and the diffusion of glucose in the presence of 1% and 2% cereal soluble fibre polysaccharides (arabinoxylan and mixed linkage beta-glucan) were studied at various levels of shear mixing in order to identify potential molecular mechanisms underlying observed glycemia-reducing effects of soluble fibres in vivo. The presence of soluble fibres increased viscosity by ca. 10× and 100× for 1% and 2% concentrations respectively. Despite this large difference in viscosity, measured digestion and mass transfer coefficients were only reduced by a factor of 1.5 to 2.5 at the same mixing speed. In contrast, introduction of mixing in the digesting and diffusing medium significantly increased the rate of amylolytic starch digestion and mass transfer of glucose. This effect is such that mixing at high speeds negates the hindering effect of the 100× increased viscosity imparted by the presence of 2% soluble fibre; this is essentially captured by the Reynolds number (the ratio of inertial and viscous forces) that defines the flow kinematics. The modest reduction of in vitro starch hydrolysis and glucose diffusion at increased viscosity suggests that the established benefits of soluble fibres on post-prandial glycaemia, in terms of attenuation of the overall rate and extent of dietary starch conversion to blood glucose, are not primarily due to a direct effect of viscosity. Alternative hypotheses are proposed based on gastric emptying, restriction of turbulent flow, and/or stimulation of mucus turnover.

  10. Production and characterization of cowpea protein hydrolysate with optimum nitrogen solubility by enzymatic hydrolysis using pepsin.

    Science.gov (United States)

    Mune Mune, Martin Alain; Minka, Samuel René

    2017-06-01

    Cowpea is a source of low-cost and good nutritional quality protein for utilization in food formulations in replacement of animal proteins. Therefore it is necessary that cowpea protein exhibits good functionality, particularly protein solubility which affects the other functional properties. The objective of this study was to produce cowpea protein hydrolysate exhibiting optimum solubility by the adequate combination of hydrolysis parameters, namely time, solid/liquid ratio (SLR) and enzyme/substrate ratio (ESR), and to determine its functional properties and molecular characteristics. A Box-Behnken experimental design was used for the experiments, and a second-order polynomial to model the effects of hydrolysis time, SLR and ESR on the degree of hydrolysis and nitrogen solubility index. The optimum hydrolysis conditions of time 208.61 min, SLR 1/15 (w/w) and ESR 2.25% (w/w) yielded a nitrogen solubility of 75.71%. Protein breakdown and the peptide profile following enzymatic hydrolysis were evaluated by sodium dodecyl sulfate polyacrylamide gel electrophoresis and size exclusion chromatography. Cowpea protein hydrolysate showed higher oil absorption capacity, emulsifying activity and foaming ability compared with the concentrate. The solubility of cowpea protein hydrolysate was adequately optimized by response surface methodology, and the hydrolysate showed adequate functionality for use in food. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  11. Membrane Proteins Are Dramatically Less Conserved than Water-Soluble Proteins across the Tree of Life.

    Science.gov (United States)

    Sojo, Victor; Dessimoz, Christophe; Pomiankowski, Andrew; Lane, Nick

    2016-11-01

    Membrane proteins are crucial in transport, signaling, bioenergetics, catalysis, and as drug targets. Here, we show that membrane proteins have dramatically fewer detectable orthologs than water-soluble proteins, less than half in most species analyzed. This sparse distribution could reflect rapid divergence or gene loss. We find that both mechanisms operate. First, membrane proteins evolve faster than water-soluble proteins, particularly in their exterior-facing portions. Second, we demonstrate that predicted ancestral membrane proteins are preferentially lost compared with water-soluble proteins in closely related species of archaea and bacteria. These patterns are consistent across the whole tree of life, and in each of the three domains of archaea, bacteria, and eukaryotes. Our findings point to a fundamental evolutionary principle: membrane proteins evolve faster due to stronger adaptive selection in changing environments, whereas cytosolic proteins are under more stringent purifying selection in the homeostatic interior of the cell. This effect should be strongest in prokaryotes, weaker in unicellular eukaryotes (with intracellular membranes), and weakest in multicellular eukaryotes (with extracellular homeostasis). We demonstrate that this is indeed the case. Similarly, we show that extracellular water-soluble proteins exhibit an even stronger pattern of low homology than membrane proteins. These striking differences in conservation of membrane proteins versus water-soluble proteins have important implications for evolution and medicine. © The Author 2016. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

  12. Inorganic/organic hybrid nanocomposite coating applications: Formulation, characterization, and evaluation

    Science.gov (United States)

    Eyassu, Tsehaye

    Nanotechnology applications in coatings have shown significant growth in recent years. Systematic incorporation of nano-sized inorganic materials into polymer coating enhances optical, electrical, thermal and mechanical properties significantly. The present dissertation will focus on formulation, characterization and evaluation of inorganic/organic hybrid nanocomposite coatings for heat dissipation, corrosion inhibition and ultraviolet (UV) and near infrared (NIR) cut applications. In addition, the dissertation will cover synthesis, characterization and dispersion of functional inorganic fillers. In the first project, we investigated factors that can affect the "Molecular Fan" cooling performance and efficiency. The investigated factors and conditions include types of nanomaterials, size, loading amount, coating thickness, heat sink substrate, substrate surface modification, and power input. Using the optimal factors, MF coating was formulated and applied on commercial HDUs, and cooling efficiencies up to 22% and 23% were achieved using multi-walled carbon nanotube and graphene fillers. The result suggests that molecular fan action can reduce the size and mass of heat-sink module and thus offer a low cost of LED light unit. In the second project, we report the use of thin organic/inorganic hybrid coating as a protection for corrosion and as a thermal management to dissipate heat from galvanized steel. Here, we employed the in-situ phosphatization method for corrosion inhibition and "Molecular fan" technique to dissipate heat from galvanized steel panels and sheets. Salt fog tests reveal successful completion of 72 hours corrosion protection time frame for samples coated with as low as ~0.7microm thickness. Heat dissipation measurement shows 9% and 13% temperature cooling for GI and GL panels with the same coating thickness of ~0.7microm respectively. The effect of different factors, in-situ phosphatization reagent (ISPR), cross-linkers and nanomaterial on corrosion

  13. Inorganic arsenic levels in baby rice are of concern

    International Nuclear Information System (INIS)

    Meharg, Andrew A.; Sun, Guoxin; Williams, Paul N.; Adomako, Eureka; Deacon, Claire; Zhu, Yong-Guan; Feldmann, Joerg; Raab, Andrea

    2008-01-01

    Inorganic arsenic is a chronic exposure carcinogen. Analysis of UK baby rice revealed a median inorganic arsenic content (n = 17) of 0.11 mg/kg. By plotting inorganic arsenic against total arsenic, it was found that inorganic concentrations increased linearly up to 0.25 mg/kg total arsenic, then plateaued at 0.16 mg/kg at higher total arsenic concentrations. Inorganic arsenic intake by babies (4-12 months) was considered with respect to current dietary ingestion regulations. It was found that 35% of the baby rice samples analysed would be illegal for sale in China which has regulatory limit of 0.15 mg/kg inorganic arsenic. EU and US food regulations on arsenic are non-existent. When baby inorganic arsenic intake from rice was considered, median consumption (expressed as μg/kg/d) was higher than drinking water maximum exposures predicted for adults in these regions when water intake was expressed on a bodyweight basis. - Median consumption of organic arsenic levels for UK babies from baby rice is above threshold considered safe

  14. Inorganic nanolayers: structure, preparation, and biomedical applications

    Directory of Open Access Journals (Sweden)

    Saifullah B

    2015-09-01

    Full Text Available Bullo Saifullah, Mohd Zobir B HusseinMaterials Synthesis and Characterization Laboratory, Institute of Advanced Technology (ITMA, Universiti Putra Malaysia, Serdang, MalaysiaAbstract: Hydrotalcite-like compounds are two-dimensional inorganic nanolayers also known as clay minerals or anionic clays or layered double hydroxides/layered hydroxy salts, and have emerged as a single type of material with numerous biomedical applications, such as drug delivery, gene delivery, cosmetics, and biosensing. Inorganic nanolayers are promising materials due to their fascinating properties, such as ease of preparation, ability to intercalate different type of anions (inorganic, organic, biomolecules, and even genes, high thermal stability, delivery of intercalated anions in a sustained manner, high biocompatibility, and easy biodegradation. Inorganic nanolayers have been the focus for researchers over the last decade, resulting in widening application horizons, especially in the field of biomedical science. These nanolayers have been widely applied in drug and gene delivery. They have also been applied in biosensing technology, and most recently in bioimaging science. The suitability of inorganic nanolayers for application in drug delivery, gene delivery, biosensing technology, and bioimaging science makes them ideal materials to be applied for theranostic purposes. In this paper, we review the structure, methods of preparation, and latest advances made by inorganic nanolayers in such biomedical applications as drug delivery, gene delivery, biosensing, and bioimaging.Keywords: inorganic nanolayers, layered double hydroxides, layered hydroxy salts, drug delivery, biosensors, bioimaging

  15. Anticorrosive organic/inorganic hybrid coatings

    Science.gov (United States)

    Gao, Tongzhai

    Organic/inorganic hybrid coating system was developed for anticorrosion applications using polyurea, polyurethane or epoxide as the organic phase and polysiloxane, formed by sol-gel process, as the inorganic phase. Polyurea/polysiloxane hybrid coatings were formulated and moisture cured using HDI isocyanurate, alkoxysilane-functionalized HDI isocyanurate, and tetraethyl orthosilicate (TEOS) oligomers. Two urethanes were prepared using the same components as abovementioned in addition to the oligoesters derived from either cyclohexane diacids (CHDA) and 2-butyl-2-ethyl-1,3-propanediol (BEPD) or adipic acid (AA), isophthalic acid (IPA), 1,6-hexanediol (HD), and trimethylol propane (TMP). Accelerated weathering and outdoor exposure were performed to study the weatherability of the polyurethane/polysiloxane hybrid coating system. FTIR and solid-state 13C NMR revealed that the degradation of the hybrid coatings occurred at the urethane and ester functionalities of the organic phase. DMA and DSC analyses showed the glass transition temperature increased and broadened after weathering. SEM was employed to observe the change of morphology of the hybrid coatings and correlated with the gloss variation after weathering. Rutile TiO2 was formulated into polyurethane/polysiloxane hybrid coatings in order to investigate the effect of pigmentation on the coating properties and the sol-gel precursor. Chemical interaction between the TiO2 and the sol-gel precursor was investigated using solid-state 29Si NMR and XPS. The morphology, mechanical, viscoelastic, thermal properties of the pigmented coatings were evaluated as a function of pigmentation volume concentration (PVC). Using AFM and SEM, the pigment were observed to be well dispersed in the polymer matrix. The thermal stability, the tensile modulus and strength of the coatings were enhanced with increasing PVC, whereas the pull-off adhesion and flexibility were reduced with increasing PVC. Finally, the pigmented coatings were

  16. Solubility of hydrogen in delta iron

    International Nuclear Information System (INIS)

    Shapovalov, V.I.; Trofimenko, V.V.

    1979-01-01

    The solubility of hydrogen in iron (less than 0.002 % impurities) at temperatures of 800-1510 deg C and a pressure of 100 atm was measured. The heat of solution of hydrogen in delta-Fe, equal to 73 kJ/g-atom, is by far greater than the corresponding values for α- and γ-Fe

  17. Solubility of ethylene in methyl propionate

    NARCIS (Netherlands)

    Shariati - Sarabi, A.; Florusse, L.J.; Peters, C.J.

    2015-01-01

    In this work, the solubility of ethylene in methyl propionate was measured within a temperature range of 283.5–464.8 K and pressures up to 10.7 MPa. Experiments were carried out using the Cailletet apparatus, which uses a synthetic method for the experiments. The critical points of several isopleths

  18. Radiculography with water-soluble contraste medium

    International Nuclear Information System (INIS)

    Araujo Pinheiro, R.S. de

    1987-01-01

    The etiologic diagnosis of the lumbar pain is discussed. The radiculography with water-soluble contrast medium is used and 250 cases are studied. Some practical criteria of indication executation and interpretation of the examination are reported. (M.A.C.) [pt

  19. Solubility of heavy metals added to MSW

    International Nuclear Information System (INIS)

    Lo, H.M.; Lin, K.C.; Liu, M.H.; Pai, T.Z.; Lin, C.Y.; Liu, W.F.; Fang, G.C.; Lu, C.; Chiang, C.F.; Wang, S.C.; Chen, P.H.; Chen, J.K.; Chiu, H.Y.; Wu, K.C.

    2009-01-01

    This paper aims to investigate the six heavy metal levels (Cd, Cr, Cu, Pb, Ni and Zn) in municipal solid waste (MSW) at different pHs. It intends to provide the baseline information of metals solubility in MSW co-disposed or co-digested with MSW incinerator ashes in landfill or anaerobic bioreactors or heavy metals contaminated in anaerobic digesters. One milliliter (equal to 1 mg) of each metal was added to the 100 ml MSW and the batch reactor test was carried out. The results showed that higher HNO 3 and NaOH were consumed at extreme pH of 1 and 13 compared to those from pH 2 to 11 due to the comparably higher buffer capacity. Pb was found to have the least soluble level, highest metal adsorption (%) and highest partitioning K d (l g -1 ) between pH 3 and 12. In contrast, Ni showed the highest soluble level, lowest metal adsorption (%) and lowest K d (l g -1 ) between pH 4 and 12. Except Ni and Cr, other four metals seemed to show the amphibious properties as comparative higher solubility was found in the acidic and basic conditions

  20. Solubility of heavy metals added to MSW

    Energy Technology Data Exchange (ETDEWEB)

    Lo, H.M. [Department of Environmental Engineering and Management, Chaoyang University of Technology, 168 Gifong E. Road, Wufong, Taichung County 41349, Taiwan (China)], E-mail: hmlo@cyut.edu.tw; Lin, K.C. [Department of Occupational Safety and Health, Chung Shan Medical University, 110, Sec. 1, Jiangguo N. Rd., Taichung 402, Taiwan (China); Liu, M.H.; Pai, T.Z. [Department of Environmental Engineering and Management, Chaoyang University of Technology, 168 Gifong E. Road, Wufong, Taichung County 41349, Taiwan (China); Lin, C.Y. [Department of Soil and Water Conservation, Chung Hsing University, 250 Kuokuang Road, Taichung 402, Taiwan (China); Liu, W.F. [Department of Electronical Engineering, Feng Chia University, 100 Wenhwa Road, Taichung 407, Taiwan (China); Fang, G.C. [Department of Environmental Engineering, Hungkuang University, 34 Chung-Chie Road, Sha Lu, Taichung 433, Taiwan (China); Lu, C. [Department of Environmental Engineering, Chung Hsing University, 250 Kuokuang Road, Taichung 402, Taiwan (China); Chiang, C.F. [Department of Health Risk Management, China Medical University, No. 91 Hsueh-Shih Road, Taichung 40402, Taiwan (China); Wang, S.C.; Chen, P.H.; Chen, J.K.; Chiu, H.Y.; Wu, K.C. [Department of Environmental Engineering and Management, Chaoyang University of Technology, 168 Gifong E. Road, Wufong, Taichung County 41349, Taiwan (China)

    2009-01-15

    This paper aims to investigate the six heavy metal levels (Cd, Cr, Cu, Pb, Ni and Zn) in municipal solid waste (MSW) at different pHs. It intends to provide the baseline information of metals solubility in MSW co-disposed or co-digested with MSW incinerator ashes in landfill or anaerobic bioreactors or heavy metals contaminated in anaerobic digesters. One milliliter (equal to 1 mg) of each metal was added to the 100 ml MSW and the batch reactor test was carried out. The results showed that higher HNO{sub 3} and NaOH were consumed at extreme pH of 1 and 13 compared to those from pH 2 to 11 due to the comparably higher buffer capacity. Pb was found to have the least soluble level, highest metal adsorption (%) and highest partitioning K{sub d} (l g{sup -1}) between pH 3 and 12. In contrast, Ni showed the highest soluble level, lowest metal adsorption (%) and lowest K{sub d} (l g{sup -1}) between pH 4 and 12. Except Ni and Cr, other four metals seemed to show the amphibious properties as comparative higher solubility was found in the acidic and basic conditions.