Solvation behaviour of L-leucine in aqueous ionic liquid at different temperatures: Volumetric approach

NASA Astrophysics Data System (ADS)

Sharma, Samriti; Sandarve, Sharma, Amit K.; Sharma, Meena

2018-05-01

For the investigation of interactions of L-leucine in aqueous solutions of an ionic liquid (1-butyl-3-methylimidazolium tetra fluoroborate [Bmim][BF4]) at atmospheric pressure over a temperature range of (293.15K to 313.16K), we use the volumetric approach. By using the density data we have calculated the apparent molar volume, VΦ, limiting apparent molar volume, V0Φ, the slope, Sv, partial molar volume of transfer, V0Φ,tr. The values of these acoustical parameters have been used for the interpretation of different interactions like hydrophilic-hydrophilic, hydrophilic-hydrophobic, ion hydrophilic, solute-solvent and solute-solute interactions in the amino acid and ionic liquid solutions.

Plasma Jet Interactions with Liquids in Partial Fulfillment of an NRL Karles Fellowship

DTIC Science & Technology

2015-11-30

water (DI H2O) as the reference solution, two concentrations of NaCl mixtures (0.6 Molar, and 1.0 Molar saturated NaCl), and three electroless solutions...by diffusion) to the bulk surface in net excess; that oxygen ions/radicals are being consumed from the bulk by an electrolysis path way; or that the

Determination of partial molar volumes from free energy perturbation theory†

PubMed Central

Vilseck, Jonah Z.; Tirado-Rives, Julian

2016-01-01

Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood–Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more direct methods are gaining popularity, such as computing V° directly as the difference in computed volume from two simulations, one with a solute present and another without. Thermodynamically, V° can also be determined as the pressure derivative of the free energy of solvation in the limit of infinite dilution. Both approaches are considered herein with the use of free energy perturbation (FEP) calculations to compute the necessary free energies of solvation at elevated pressures. Absolute and relative partial molar volumes are computed for benzene and benzene derivatives using the OPLS-AA force field. The mean unsigned error for all molecules is 2.8 cm3 mol−1. The present methodology should find use in many contexts such as the development and testing of force fields for use in computer simulations of organic and biomolecular systems, as a complement to related experimental studies, and to develop a deeper understanding of solute–solvent interactions. PMID:25589343

Thermodynamic studies of aqueous and CCl4 solutions of 15-crown-5 at 298.15 K: an application of McMillan-Mayer and Kirkwood-Buff theories of solutions.

PubMed

Dagade, Dilip H; Shetake, Poonam K; Patil, Kesharsingh J

2007-07-05

The density and osmotic coefficient data for solutions of 15-crown-5 (15C5) in water and in CCl4 solvent systems at 298.15 K have been reported using techniques of densitometry and vapor pressure osmometry in the concentration range of 0.01-2 mol kg-1. The data are used to obtain apparent molar and partial molar volumes, activity coefficients of the components as a function of 15C5 concentration. Using the literature heat of dilution data for aqueous system, it has become possible to calculate entropy of mixing (DeltaS(mix)), excess entropy of solution (DeltaS(E)), and partial molar entropies of the components at different concentrations. The results of all these are compared to those obtained for aqueous 18-crown-6 solutions reported earlier. It has been observed that the partial molar volume of 15C5 goes through a minimum and that of water goes through a maximum at approximately 1.2 mol kg(-1) in aqueous solutions whereas the opposite is true in CCl4 medium but at approximately 0.5 mol kg(-1). The osmotic and activity coefficients of 15C5 and excess free energy change for solution exhibit distinct differences in the two solvent systems studied. These results have been explained in terms of hydrophobic hydration and interactions in aqueous solution while weak solvophobic association of 15C5 molecules in CCl4 solutions is proposed. The data are further subjected to analysis by applying McMillan-Mayer and Kirkwood-Buff theories of solutions. The analysis shows that osmotic second virial coefficient value for 15C5 is marginally less than that of 18C6 indicating that reduction in ring flexibility does not affect the energetics of the interactions much in aqueous solution while the same gets influenced much in nonpolar solvent CCl4.

Quadrupole terms in the Maxwell equations: Born energy, partial molar volume, and entropy of ions.

PubMed

Slavchov, Radomir I; Ivanov, Tzanko I

2014-02-21

A new equation of state relating the macroscopic quadrupole moment density Q to the gradient of the field ∇E in an isotropic fluid is derived: Q = αQ(∇E - U∇·E/3), where the quadrupolarizability αQ is proportional to the squared molecular quadrupole moment. Using this equation of state, a generalized expression for the Born energy of an ion dissolved in quadrupolar solvent is obtained. It turns out that the potential and the energy of a point charge in a quadrupolar medium are finite. From the obtained Born energy, the partial molar volume and the partial molar entropy of a dissolved ion follow. Both are compared to experimental data for a large number of simple ions in aqueous solutions. From the comparison the value of the quadrupolar length LQ is determined, LQ = (αQ/3ɛ)(1/2) = 1-4 Å. Data for ion transfer from aqueous to polar oil solution are analyzed, which allowed for the determination of the quadrupolarizability of nitrobenzene.

Thermodynamic properties of hyperbranched polymer, Boltorn U3000, using inverse gas chromatography.

PubMed

Domańska, Urszula; Zołek-Tryznowska, Zuzanna

2009-11-19

Mass-fraction activity coefficients at infinite dilution (Omega13(infinity)) of alkanes (C5-C10), cycloalkanes (C5-C8), alkenes (C5-C8), alkynes (C5-C8), aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-, m-, p-xylene, thiophene), alcohols (C1-C5), water, ethers (tetrahydrofuran (THF), methyl-tert-butylether (MTBE), diethyl-, di-n-propyl-, di-n-butyl ether), and ketones (propanone, 2-pentanone, 3-pentanone, 2-hexanone, 3-hexanone, cyclopentanone) in the hyperbranched polymer, Boltorn U3000 (B-U3000), have been determined by inverse gas chromatography (IGC) using the polymer as the stationary phase. The measurements were carried out at different temperatures between 308.15 and 348.15 K. The density and thermophysical properties of polymer were described. The specific retention volume (V(g)), the Flory-Huggins interaction parameter (chi13(infinity)), the molar enthalpy of sorption (the partial molar enthalpies of solute dissolution) (Delta(s)H), the partial molar excess enthalpy at infinite dilution of the solute and polymer (DeltaH1(E,infinity)), the partial molar Gibbs excess energy at infinite dilution (DeltaG1(E,infinity)), and the solubility parameter (delta3) were calculated.

Partial molar volume of anionic polyelectrolytes in aqueous solution.

PubMed

Salamanca, Constain; Contreras, Martín; Gamboa, Consuelo

2007-05-15

In this work the partial molar volumes (V) of different anionic polyelectrolytes and hydrophobically modified polyelectrolytes (PHM) were measured. Polymers like polymaleic acid-co-styrene, polymaleic acid-co-1-olefin, polymaleic acid-co-vinyl-2-pyrrolidone, and polyacrylic acid (abbreviated as MAS-n, PA-n-K2, AMVP, and PAA, respectively) were employed. These materials were investigated by density measurements in highly dilute aqueous solutions. The molar volume results allow us to discuss the effect of the carboxylic groups and the contributions from the comonomeric principal chain. The PAA presents the smaller V, while the largest V value was for AMVP. The V of PHM shows a linear relationship with the number of methylene groups in the lateral chain. It is found that the magnitude of the contribution per methylene group decreases as the hydrophobic character of the environment increases.

Solution behavior of metoclopramide in aqueous-alcoholic solutions at 30°C

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Sawale, R. T.; Tawde, P. D.; Kalyankar, T. M.

2016-07-01

Densities (ρ) and refractive indices ( n D) of solutions of antiemetic drug metoclopramide (4-amino-5-chloro- N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride hydrate) in methanolwater and ethanol-water mixtures of different compositions were measured at 30°C. Apparent molar volume (φv) of the drug was calculated from density data and partial molar volumes (φ v 0 ) were determined from Massons relation. Concentration dependence of nD has been studied to determine refractive indices of solution at infinite dilution ( n D 0 ). Results have been interpreted in terms of solute-solvent interactions.

Determination of thermodynamic properties of poly (cyclohexyl methacrylate) by inverse gas chromatography.

PubMed

Kaya, Ismet; Pala, Cigdem Yigit

2014-07-01

In this work, some thermodynamic properties of poly (cyclohexyl methacrylate) were studied by inverse gas chromatography (IGC). For this purpose, the polymeric substance was coated on Chromosorb W and which was filled into a glass column. The retention times (t(r)) of the probes were determined from the interactions of poly (cyclohexyl methacrylate) with n-pentane, n-hexane, n-heptane, n-octane, n-decane, methanol, ethanol, 2-propanol, butanol, acetone, ethyl methyl ketone, benzene, toluene and o-xylene by IGC technique. Then, the specific volume (Vg(0)) was determined for each probe molecule. By using (1/T; lnVg(0)) graphics, the glass transition temperature of poly (cyclohexyl methacrylate) was found to be 373 K. The adsorption heat under the glass transition temperature (deltaH(a)), and partial molar heat of sorption above the glass transition (deltaH1(S)), partial molar free energy of sorption (deltaG1(S)) and partial molar entropy of sorption (deltaS1(S)) belonging to sorption for every probe were calculated. The partial molar heat of mixing at infinite dilution (deltaH1(infinity)), partial molar free energy of mixing at infinite dilution (deltaG1(infinity)), Flory-Huggins interaction parameter (chi12(infinity)) and weight fraction activity coefficient (a1/w1)(infinity) values of polymer-solute systems were calculated at different column temperatures. The solubility parameters (delta2) of the polymer were obtained by IGC technique.

The component slope linear model for calculating intensive partial molar properties /application to waste glasses and aluminate solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reynolds, Jacob G.

2013-01-11

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a changemore » in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOH-NaAl(OH){sub 4}-H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results determined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components.« less

The Component Slope Linear Model for Calculating Intensive Partial Molar Properties: Application to Waste Glasses and Aluminate Solutions - 13099

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reynolds, Jacob G.

2013-07-01

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a changemore » in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOHNaAl(OH){sub 4}-H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results determined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components. (authors)« less

Entropy of adsorption of mixed surfactants from solutions onto the air/water interface

USGS Publications Warehouse

Chen, L.-W.; Chen, J.-H.; Zhou, N.-F.

1995-01-01

The partial molar entropy change for mixed surfactant molecules adsorbed from solution at the air/water interface has been investigated by surface thermodynamics based upon the experimental surface tension isotherms at various temperatures. Results for different surfactant mixtures of sodium dodecyl sulfate and sodium tetradecyl sulfate, decylpyridinium chloride and sodium alkylsulfonates have shown that the partial molar entropy changes for adsorption of the mixed surfactants were generally negative and decreased with increasing adsorption to a minimum near the maximum adsorption and then increased abruptly. The entropy decrease can be explained by the adsorption-orientation of surfactant molecules in the adsorbed monolayer and the abrupt entropy increase at the maximum adsorption is possible due to the strong repulsion between the adsorbed molecules.

Standard Partial Molar Heat Capacities and Volumes of Barium and Cadmium Ions in Dimethylsulfoxide at 298.15 K

NASA Astrophysics Data System (ADS)

Novikov, A. N.; Doronin, Ya. I.; Rakhmanova, P. A.

2018-07-01

The heat capacities and volumes of dimethylsulfoxide (DMSO) solutions of barium and cadmium iodides at 298.15 K were measured by calorimetry and densimetry. The standard partial molar heat capacities \\bar C_{p,2}^° and volumes \\bar V2^° of BaI2 and CdI2 in DMSO were calculated. The standard heat capacities \\bar C_{p,i}^° and volumes \\bar {V}i^° of barium and cadmium ions in DMSO at 298.15 K were determined.

Volumetric and acoustical behaviour of sodium saccharin in aqueous system over temperature range (20.0-45.0)°C.

PubMed

Jamal, Muhammad Asghar; Rashad, Muhammad; Khosa, Muhammad Kaleem; Bhatti, Haq Nawaz

2015-04-15

Densities and ultrasonic velocity values for aqueous solutions of sodium saccharin (SS) has been measured as a function of concentration at 20.0-45.0 °C and atmospheric pressure using DSA-5000 M. The density and ultrasonic velocity values have been further used to calculate apparent molar volume, apparent specific volume, isentropic apparent molar compressibility and compressibility hydration numbers and reported. The values for apparent molar volume obtained at given temperatures showed negative deviations from Debye-Hückel limiting law and used as a direct measure of the ion-ion and ion-solvent interactions. The apparent specific volumes of the solute were calculated and it was found that these values of the investigated solutions lie on the borderline between the values reported for sweet substances. The sweetness response of the sweeteners is then explained in terms of their solution behaviours. Furthermore, the partial molar expansibility, its second derivative, (∂(2)V°/∂T(2)) as Hepler's constant and thermal expansion coefficient have been estimated. Copyright © 2014 Elsevier Ltd. All rights reserved.

Volumetric and calorimetric properties of aqueous ionene solutions

PubMed Central

Lukšič, Miha; Hribar-Lee, Barbara

2016-01-01

The volumetric (partial and apparent molar volumes) and calorimetric properties (apparent heat capacities) of aqueous cationic polyelectrolyte solutions – ionenes – were studied using the oscillating tube densitometer and differential scanning calorimeter. The polyion’s charge density and the counterion properties were considered as variables. The special attention was put to evaluate the contribution of electrostatic and hydrophobic effects to the properties studied. The contribution of the CH2 group of the polyion’s backbone to molar volumes and heat capacities was estimated. Synergistic effect between polyion and counterions was found. PMID:28503012

Infinitely dilute partial molar properties of proteins from computer simulation.

PubMed

Ploetz, Elizabeth A; Smith, Paul E

2014-11-13

A detailed understanding of temperature and pressure effects on an infinitely dilute protein's conformational equilibrium requires knowledge of the corresponding infinitely dilute partial molar properties. Established molecular dynamics methodologies generally have not provided a way to calculate these properties without either a loss of thermodynamic rigor, the introduction of nonunique parameters, or a loss of information about which solute conformations specifically contributed to the output values. Here we implement a simple method that is thermodynamically rigorous and possesses none of the above disadvantages, and we report on the method's feasibility and computational demands. We calculate infinitely dilute partial molar properties for two proteins and attempt to distinguish the thermodynamic differences between a native and a denatured conformation of a designed miniprotein. We conclude that simple ensemble average properties can be calculated with very reasonable amounts of computational power. In contrast, properties corresponding to fluctuating quantities are computationally demanding to calculate precisely, although they can be obtained more easily by following the temperature and/or pressure dependence of the corresponding ensemble averages.

Physicochemical Behavior of Some Amino Acids/Glycylglycine in Aqueous D-Galactose Solutions at Different Temperatures

NASA Astrophysics Data System (ADS)

Ali, Anwar; Patel, Rajan; Shahjahan; Ansari, Nizamul Haque

2010-03-01

The apparent molar volumes {(overline{V_2})} for glycine (Gly), l-alanine (Ala), phenylalanine (Phe), and glycylglycine (Gly-Gly) in 0.10 m aqueous d-galactose solutions have been determined from density measurements at (298.15, 303.15, 308.15, and 313.15) K. The data for {(overline{V_2})} were utilized to estimate the partial molar volume at infinite dilution {(overline{V_2^0})} , and experimental slope {(S_v^ast)} . The transfer volume, {(overline{V2^0}_(tr))} , and hydration number, ( n H) were also evaluated. The viscosity data were used to evaluate A- and B-coefficients of the Jones-Dole equation, the free energy of activation of viscous flow per mole of the solvent {left(Δ μ1^{0ast} right)} and the solute {left(Δ μ 2^{0ast} right)} . The molar refractivity ( R D) was calculated from refractive index data. The results were discussed in terms of hydrophilic-ionic, hydrophilic-hydrophobic, and hydrophobic-hydrophobic interactions, and structure-making/-breaking ability of the solute (AAs/peptide) in aqueous d-galactose solutions.

Ultrasonic speed, densities and viscosities of xylitol in water and in aqueous tyrosine and phenylalanine solutions at different temperatures

NASA Astrophysics Data System (ADS)

Ali, A.; Bidhuri, P.; Uzair, S.

2014-07-01

Ultrasonic speed u, densities ρ and viscosities η of xylitol in water and in 0.001 m aqueous l-tyrosine (Tyr) and l-phenylalanine (Phe) have been measured at different temperatures. From the density and ultrasonic speed measurements apparent molar isentropic compression κ_{φ}, apparent molar isentropic compressions at infinite dilution κ_{{S,φ}}0 , experimental slope S K , hydration number n H , transfer partial molar isentropic compressibility Δ_{tr} κ_{{S,φ}}0 of xylitol from water to aqueous Tyr and Phe have been obtained. From the viscosity data, B-coefficient and B-coefficient of transfer Δ tr B of xylitol from water to aqueous Phe and Tyr at different temperatures have also been estimated. Gibbs free energies of activation of viscous flow per mole of solvent Δ μ 1 0# and per mole of solute Δ μ 2 0# have been calculated by using Feakins transition state theory for the studied systems. The calculated parameters have been interpreted in terms of solute-solute and solute-solvent interactions and hydration behavior of xylitol.

Molar mass, radius of gyration and second virial coefficient from new static light scattering equations for dilute solutions: application to 21 (macro)molecules.

PubMed

Illien, Bertrand; Ying, Ruifeng

2009-05-11

New static light scattering (SLS) equations for dilute binary solutions are derived. Contrarily to the usual SLS equations [Carr-Zimm (CZ)], the new equations have no need for the experimental absolute Rayleigh ratio of a reference liquid and solely rely on the ratio of scattered intensities of solutions and solvent. The new equations, which are based on polarizability equations, take into account the usual refractive index increment partial differential n/partial differential rho(2) complemented by the solvent specific polarizability and a term proportional to the slope of the solution density rho versus the solute mass concentration rho(2) (density increment). Then all the equations are applied to 21 (macro)molecules with a wide range of molar mass (0.2500 kg mol(-1)), for which the scattered intensity is no longer independent of the scattering angle, the new equations give the same value of the radius of gyration as the CZ equation and consistent values of the second virial coefficient.

Physicochemical properties and ion-solvent interactions in aqueous sodium, ammonium, and lead acetate solution

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Mendkudle, M. S.

2014-09-01

Densities (ρ), viscosities (η) and refractive indices ( n D) of aqueous sodium acetate (SA), ammonium acetate (AA), and lead acetate (LA) solutions have been measured for different concentrations of salts at 302.15 K. Apparent molar volumes (φv) for studied solutions were calculated from density data, and fitted to Masson's relation and partial molar volume (φ{v/o}) was determined. Viscosity data were fitted to Jones-Dole equation and viscosity A- and B-coefficients were determined. Refractive index and density data were fitted to Lorentz and Lorenz equation and specific refraction ( R D) were calculated. Behavior of various physicochemical properties indicated presence of strong ion-solvent interactions in present systems and the acetate salts structure maker in water.

Infinitely Dilute Partial Molar Properties of Proteins from Computer Simulation

PubMed Central

2015-01-01

A detailed understanding of temperature and pressure effects on an infinitely dilute protein’s conformational equilibrium requires knowledge of the corresponding infinitely dilute partial molar properties. Established molecular dynamics methodologies generally have not provided a way to calculate these properties without either a loss of thermodynamic rigor, the introduction of nonunique parameters, or a loss of information about which solute conformations specifically contributed to the output values. Here we implement a simple method that is thermodynamically rigorous and possesses none of the above disadvantages, and we report on the method’s feasibility and computational demands. We calculate infinitely dilute partial molar properties for two proteins and attempt to distinguish the thermodynamic differences between a native and a denatured conformation of a designed miniprotein. We conclude that simple ensemble average properties can be calculated with very reasonable amounts of computational power. In contrast, properties corresponding to fluctuating quantities are computationally demanding to calculate precisely, although they can be obtained more easily by following the temperature and/or pressure dependence of the corresponding ensemble averages. PMID:25325571

Synthesis of 1,3-Dimethylimidazolium Chloride and Volumetric Property Investigations of Its Aqueous Solution

NASA Astrophysics Data System (ADS)

Dong, L.; Zheng, D. X.; Wei, Z.; Wu, X. H.

2009-10-01

By investigating the vapor pressure of the solvent and the affinity between ionic liquids (ILs) and the solvent, it is proposed that 1,3-dimethylimidazolium chloride ([Mmim]Cl) has the potential to be used as a novel absorbent species with the absorption cycle working fluid. Adopting a high-pressure reaction kettle, the method of gas-liquid phase reaction was used to synthesize [Mmim]Cl under the conditions of 348.15 K and 0.7 MPa. The densities of [Mmim]Cl aqueous solutions were measured for mass fractions in the range from 20% to 90% at 293.15 K, 298.15 K, 303.15 K, 308.15 K, 313.15 K, and 318.15 K with a digital vibrating-tube densimeter. The excess volume, the apparent molar volume, the partial molar volume, and the apparent molar expansibility of this system were investigated, and the influences of variations of the cation and anion on the density of several IL aqueous solutions are discussed.

Elucidation of ionic interactions in the protic ionic liquid solutions by isothermal titration calorimetry.

PubMed

Rai, Gitanjali; Kumar, Anil

2014-04-17

The strong hydrogen-bonded network noted in protic ionic liquids (PILs) may lead to stronger interactions of the ionic entities of PILs with solvents (water, methanol, ethylene glycol, dimethylsulfoxide (DMSO), N,N'-dimethylformamide (DMF)) as compared with those of aprotic ionic liquids (APILs). The PILs used in this work are 1-methylimidazolium tetrafluoroborate, 2-methylpyridinium tetrafluoroborate, and N-methylpyrrolodinium tetrafluoroborate in comparison to 1-butyl-3-methylimidazolium tetrafluoroborate, which is classified as an APIL. In this work, the excess partial molar enthalpy, H(E)IL obtained from isothermal calorimetric titrations at 298.15 K is used to probe the nature of interactions of the PIL cations with solvent molecules against those present in APIL-solvent systems. This work also reports interesting flip-flopping in the thermal behavior of these PIL-solvent systems depending upon the structure of the cationic ring of a PIL. In some cases, these flip-flops are the specific fingerprints for specific PILs in a common solvent environment. The excess partial molar enthalpy at infinite dilution, H(E,∞)IL, of these PILs bears a critical dependence on the solvent properties. An analysis of relative apparent molar enthalpies, ϕL, of the PIL solutions by the ion interaction model of Pitzer yields important information on ionic interactions of these systems.

QSPR models for various physical properties of carbohydrates based on molecular mechanics and quantum chemical calculations.

PubMed

Dyekjaer, Jane Dannow; Jónsdóttir, Svava Osk

2004-01-22

Quantitative Structure-Property Relationships (QSPR) have been developed for a series of monosaccharides, including the physical properties of partial molar heat capacity, heat of solution, melting point, heat of fusion, glass-transition temperature, and solid state density. The models were based on molecular descriptors obtained from molecular mechanics and quantum chemical calculations, combined with other types of descriptors. Saccharides exhibit a large degree of conformational flexibility, therefore a methodology for selecting the energetically most favorable conformers has been developed, and was used for the development of the QSPR models. In most cases good correlations were obtained for monosaccharides. For five of the properties predictions were made for disaccharides, and the predicted values for the partial molar heat capacities were in excellent agreement with experimental values.

Raman Line Imaging of Poly(ε-caprolactone)/Carbon Dioxide Solutions at High Pressures: A Combined Experimental and Computational Study for Interpreting Intermolecular Interactions and Free-Volume Effects.

PubMed

Pastore Carbone, Maria Giovanna; Musto, Pellegrino; Pannico, Marianna; Braeuer, Andreas; Scherillo, Giuseppe; Mensitieri, Giuseppe; Di Maio, Ernesto

2016-09-01

In the present study, a Raman line-imaging setup was employed to monitor in situ the CO2 sorption at elevated pressures (from 0.62 to 7.10 MPa) in molten PCL. The method allowed the quantitative measurement of gas concentration in both the time-resolved and the space-resolved modes. The combined experimental and theoretical approach allowed a molecular level characterization of the system. The dissolved CO2 was found to occupy a volume essentially coincident with its van der Waals volume and the estimated partial molar volume of the probe did not change with pressure. Lewis acid-Lewis base interactions with the PCL carbonyls was confirmed to be the main interaction mechanism. The geometry of the supramolecular complex and the preferential interaction site were controlled more by steric than electronic effects. On the basis of the indications emerging from Raman spectroscopy, an equation of state thermodynamic model for the PCL-CO2 system, based upon a compressible lattice fluid theory endowed with specific interactions, has been tailored to account for the interaction types detected spectroscopically. The predictions of the thermodynamic model in terms of molar volume of solution have been compared with available volumetric measurements while predictions for CO2 partial molar volume have been compared with the values estimated on the basis of Raman spectroscopy.

Experimental Techniques for Thermodynamic Measurements of Ceramics

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Putnam, Robert L.; Navrotsky, Alexandra

1999-01-01

Experimental techniques for thermodynamic measurements on ceramic materials are reviewed. For total molar quantities, calorimetry is used. Total enthalpies are determined with combustion calorimetry or solution calorimetry. Heat capacities and entropies are determined with drop calorimetry, differential thermal methods, and adiabatic calorimetry . Three major techniques for determining partial molar quantities are discussed. These are gas equilibration techniques, Knudsen cell methods, and electrochemical techniques. Throughout this report, issues unique to ceramics are emphasized. Ceramic materials encompass a wide range of stabilities and this must be considered. In general data at high temperatures is required and the need for inert container materials presents a particular challenge.

Size-exclusion chromatography of perfluorosulfonated ionomers.

PubMed

Mourey, T H; Slater, L A; Galipo, R C; Koestner, R J

2011-08-26

A size-exclusion chromatography (SEC) method in N,N-dimethylformamide containing 0.1 M LiNO(3) is shown to be suitable for the determination of molar mass distributions of three classes of perfluorosulfonated ionomers, including Nafion(®). Autoclaving sample preparation is optimized to prepare molecular solutions free of aggregates, and a solvent exchange method concentrates the autoclaved samples to enable the use of molar-mass-sensitive detection. Calibration curves obtained from light scattering and viscometry detection suggest minor variation in the specific refractive index increment across the molecular size distributions, which introduces inaccuracies in the calculation of local absolute molar masses and intrinsic viscosities. Conformation plots that combine apparent molar masses from light scattering detection with apparent intrinsic viscosities from viscometry detection partially compensate for the variations in refractive index increment. The conformation plots are consistent with compact polymer conformations, and they provide Mark-Houwink-Sakurada constants that can be used to calculate molar mass distributions without molar-mass-sensitive detection. Unperturbed dimensions and characteristic ratios calculated from viscosity-molar mass relationships indicate unusually free rotation of the perfluoroalkane backbones and may suggest limitations to applying two-parameter excluded volume theories for these ionomers. Copyright © 2011 Elsevier B.V. All rights reserved.

Concentration dependences of the density, viscosity, and refraction index of Cu(NO3)2 · 3H2O solutions in DMSO at 298 K

NASA Astrophysics Data System (ADS)

Mamyrbekova, A. K.

2013-03-01

Physicochemical properties (density, dynamic viscosity, refraction index) of the DMSO-Cu(NO3)2 · 3H2O system are studied in the concentration range of 0.01-2 M at 298 K. The refraction index of a solution of copper(II) nitrate in dimethylsulfoxide (DMSO) is measured at 288-318 K. The excess and partial molar volumes of the solvent and dissolved substance are calculated analytically.

Association between the presence of a partially erupted mandibular third molar and the existence of caries in the distal of the second molars.

PubMed

Falci, S G M; de Castro, C R; Santos, R C; de Souza Lima, L D; Ramos-Jorge, M L; Botelho, A M; Dos Santos, C R R

2012-10-01

The objective of this study was to verify, using periapical radiographs, whether a partially erupted mandibular third molar is a factor in the presence of dental caries on the distal surface of the adjacent second molar. Two-forty six high quality periapical radiographs were selected, each showing a partially erupted mandibular third molar. The variables analyzed were: tooth number; gender; age; radiographic presence of caries on the distal surface of the adjacent molar; Pell and Gregory classification; Winter classification; angulation and distance between the second and mandibular third molar. The examiners were previously calibrated to collect data (kappa statistics from 0.87 to 1.0). The prevalence rate of caries on the distal surface of the second molar was 13.4%. In the logistical multivariate regression analysis, the angulation (OR=8.5; IC95%: 1.7-43.8; p=0.011) and the gender (OR=3.3; IC95%: 1.4-7.7; p=0.005) remained statistically significant after an age adjustment was made. The results indicate that the presence of a partially erupted mandibular third molar with an angulation of 31 degrees or more, is a risk factor for caries on the distal surface of the mandibular second molars. Copyright © 2012 International Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

The Component Slope Linear Model for Calculating Intensive Partial Molar Properties: Application to Waste Glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reynolds, Jacob G.

2013-01-11

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a changemore » in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOH-NaAl(OH{sub 4}H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results detennined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components.« less

Automation of data processing and calculation of retention parameters and thermodynamic data for gas chromatography

NASA Astrophysics Data System (ADS)

Makarycheva, A. I.; Faerman, V. A.

2017-02-01

The analyses of automation patterns is performed and the programming solution for the automation of data processing of the chromatographic data and their further information storage with a help of a software package, Mathcad and MS Excel spreadsheets, is developed. The offered approach concedes the ability of data processing algorithm modification and does not require any programming experts participation. The approach provides making a measurement of the given time and retention volumes, specific retention volumes, a measurement of differential molar free adsorption energy, and a measurement of partial molar solution enthalpies and isosteric heats of adsorption. The developed solution is focused on the appliance in a small research group and is tested on the series of some new gas chromatography sorbents. More than 20 analytes were submitted to calculation of retention parameters and thermodynamic sorption quantities. The received data are provided in the form accessible to comparative analysis, and they are able to find sorbing agents with the most profitable properties to solve some concrete analytic issues.

Compositional dependent partial molar volume and compressibility of CO2 in rhyolite, phonolite and basalt glasses

NASA Astrophysics Data System (ADS)

Lerch, P.; Seifert, R.; Malfait, W. J.; Sanchez-Valle, C.

2012-12-01

Carbon dioxide is the second most abundant volatile in magmatic systems and plays an important role in many magmatic processes, e.g. partial melting, volatile saturation, outgassing. Despite this relevance, the volumetric properties of carbon-bearing silicates at relevant pressure and temperature conditions remain largely unknown because of considerable experimental difficulties associated with in situ measurements. Density and elasticity measurements on quenched glasses can provide an alternative source of information. For dissolved water, such measurements indicate that the partial molar volume is independent of compositions at ambient pressure [1], but the partial molar compressibility is not [2, 3]. Thus the partial molar volume of water may depend on melt composition at elevated pressure. For dissolved CO2, no such data is available. In order to constrain the effect of magma composition on the partial molar volume and compressibility of dissolved carbon, we determined the density and elasticity for three series of carbon-bearing basalt, phonolite and rhyolite glasses, quenched from 3.5 GPa and relaxed at ambient pressure. The CO2 content varies between 0 to 3.90 wt% depending on the glass composition. Glass densities were determined using the sink/float method in a diiodomethane (CH2I2) - acetone mixture. Brillouin measurements were conducted on relaxed and unrelaxed silicate glasses in platelet geometry to determine the compressional (VP) and shear (VS) wave velocities and elastic moduli. The partial molar volume of CO2 in rhyolite, phonolite and basalt glasses is 25.4 ± 0.9, 22.1 ± 0.6 and 26.6 ±1.8 cm3/mol, respectively. Thus, unlike for dissolved water, the partial molar volume of CO2 displays a resolvable compositional effect. Although the composition and CO2/carbonate speciation of the phonolite glasses is intermediate between that of the rhyolite and basalt glasses, the molar volume is not. Similar to dissolved water, the partial molar bulk modulus of CO2 displays a strong compositional effect. If these compositional dependencies persist in the analogue melts, the partial molar volume of dissolved CO2 will depend on melt composition, both at low and elevated pressure. Thus, for CO2-bearing melts, a full quantitative understanding of density dependent magmatic processes, such as crystal fractionation, magma mixing and melt extraction will require in situ measurements for a range of melt compositions. [1] Richet, P. et al., 2000, Contrib Mineral Petrol, 138, 337-347. [2] Malfait et al. 2011, Am. Mineral. 96, 1402-1409. [3] Whittington et al., 2012, Am. Mineral. 97, 455-467.

Relationship Between Third Mandibular Molar Angulation and Distal Cervical Caries in the Second Molar.

PubMed

Claudia, Andreescu; Barbu, Horia Mihail; Adi, Lorean; Gultekin, Alper; Reiser, Vadim; Gultekin, Pinar; Mijiritsky, Eitan

2018-03-16

Third lower molar partially erupted is commonly encountered in dental practice. This situation challenges clinicians with the dilemma whether to remove or to monitor it, because this molar can cause pathology of the adjacent second molar. The aim of this retrospective study is to evaluate the relationship between third mandibular molar and distal cervical caries in second molar. This retrospective study analyzed 55 digital orthopantograms of adult patients and a total number of 95 mandibular third molars were assessed for eruption status, angulation, radiographic evidence of caries or restoration in the mandibular third molar, and radiographic evidence of caries or restoration in the distal surface of the mandibular second molar. The distal cervical caries in second molar is associated with fully erupted and partially erupted wisdom molar in horizontal, mesioangular and vertical position and less with presence of caries in third molar. There are caries lesions in distal second molars in mesioangular position when adjacent third molar is caries free.

Solubility enhancement of simvastatin by arginine: thermodynamics, solute-solvent interactions, and spectral analysis.

PubMed

Meor Mohd Affandi, M M R; Tripathy, Minaketan; Shah, Syed Adnan Ali; Majeed, A B A

2016-01-01

We examined the solubility of simvastatin in water in 0.01 mol·dm(-3), 0.02 mol·dm(-3), 0.04 mol·dm(-3), 0.09 mol·dm(-3), 0.18 mol·dm(-3), 0.36 mol·dm(-3), and 0.73 mol·dm(-3) arginine (ARG) solutions. The investigated drug is termed the solute, whereas ARG the cosolute. Phase solubility studies illustrated a higher extent of solubility enhancement for simvastatin. The aforementioned system was subjected to conductometric and volumetric measurements at temperatures (T) of 298.15 K, 303.15 K, 308.15 K, and 313.15 K to illustrate the thermodynamics involved and related solute-solvent interactions. The conductance values were used to evaluate the limiting molar conductance and association constants. Thermodynamic parameters (ΔG (0), ΔH (0), ΔS (0), and E s) for the association process of the solute in the aqueous solutions of ARG were calculated. Limiting partial molar volumes and expansibilities were evaluated from the density values. These values are discussed in terms of the solute-solvent and solute-cosolute interactions. Further, these systems were analyzed using ultraviolet-visible analysis, Fourier-transform infrared spectroscopy, and (13)C, (1)H, and two-dimensional nuclear overhauser effect spectroscopy nuclear magnetic resonance to complement thermophysical explanation.

Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Ming-Liang; Te, Jerez; Cendagorta, Joseph R.

2015-02-14

The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol V{sub E} as a function of ethanol mole fraction X{sub E} is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decreasemore » is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.« less

Pressure-dependent boron isotopic fractionation observed by column chromatography

NASA Astrophysics Data System (ADS)

Musashi, M.; Oi, T.; Matsuo, M.; Nomura, M.

2007-12-01

Boron isotopic fractionation factor ( S ) between boron taken up in strongly basic anion exchange resin and boron in aqueous solution was determined by breakthrough column chromatography at 5 and 17 MPa at 25°C, using 0.1 mmol/L boric acid solution as feed solution. The S values obtained were 1.018 and 1.012, respectively, which were smaller than the value reported by using the same chromatographic method at atmospheric pressure at 25°C with the boron concentration of 10 mmol/L, but were larger than the values at the same condition with much higher concentration of 100 and 501 mmol/L, indicating that borate-polymerization reducing the isotopic fractionation was negligible. However, calculations based on the theory of isotope distribution between two phases estimated that 21% (5MPa) and 47% (17MPa) of boron taken up in the resin phase was in the three-coordinated B(OH)3-form, instead of in the four-coordinated B(OH)4--form, at high pressures even with the very diluted solution. We discussed this discrepancy by introducing (1) hydration or (2) a partial molar volume difference between isotopic molecules. It was inferred that borate ions were partially dehydrated upon transfer from the solution phase to the resin phase at high pressures, which resulted in smaller S values compared with those at the atmospheric pressure. Alternatively, it was likely that the S value decreased with increasing pressure, because the difference of the partial isotopic molar volumes between 10B(OH)3 and 11B(OH)3 was larger than that between 10B(OH)4- and 11B(OH)4-. If either will be the case, the influence of a pressure upon the isotope effect may not be negligible for boron isotopic exchange equilibrium. This knowledge is crucial for the principle of the boron isotopic pH-metry reconstructing a chemical variation at the paleo-deep oceanic environment where the early life may have been evolved.

Isentropic expansion and related thermodynamic properties of non-ionic amphiphile-water mixtures.

PubMed

Reis, João Carlos R; Douhéret, Gérard; Davis, Michael I; Fjellanger, Inger Johanne; Høiland, Harald

2008-01-28

A concise thermodynamic formalism is developed for the molar isentropic thermal expansion, ES,m = ( partial differential Vm/ partial differential T)(Sm,x), and the ideal and excess quantities for the molar, apparent molar and partial molar isentropic expansions of binary liquid mixtures. Ultrasound speeds were determined by means of the pulse-echo-overlap method in aqueous mixtures of 2-methylpropan-2-ol at 298.15 K over the entire composition range. These data complement selected extensive literature data on density, isobaric heat capacity and ultrasound speed for 9 amphiphile (methanol, ethanol, propan-1-ol, propan-2-ol, 2-methylpropan-2-ol, ethane-1,2-diol, 2-methoxyethanol, 2-ethoxyethanol or 2-butoxyethanol)-water binary systems, which form the basis of tables listing molar and excess molar isobaric expansions and heat capacities, and molar and excess molar isentropic compressions and expansions at 298.15 K and at 65 fixed mole fractions spanning the entire composition range and fine-grained in the water-rich region. The dependence on composition of these 9 systems is graphically depicted for the excess molar isobaric and isentropic expansions and for the excess partial molar isobaric and isentropic expansions of the amphiphile. The analysis shows that isentropic thermal expansion properties give a much stronger response to amphiphile-water molecular interactions than do their isobaric counterparts. Depending on the pair property-system, the maximum excess molar isentropic value is generally twenty- to a hundred-fold greater than the corresponding maximum isobaric value, and occurs at a lower mole fraction of the amphiphile. Values at infinite dilution of the 9 amphiphiles in water are given for the excess partial molar isobaric heat capacity, isentropic compression, isobaric expansion and isentropic expansion. These values are interpreted in terms of the changes occurring when amphiphile molecules cluster into an oligomeric form. Present results are discussed from theoretical and experimental thermodynamic viewpoints. It is concluded that isentropic thermal expansion properties constitute a new distinct resource for revealing particular features and trends in complex mixing processes, and that analyses using these new properties compare favourably with conventional approaches.

Experimental Study on Rise Husk Ash & Fly Ash Based Geo-Polymer Concrete Using M-Sand

NASA Astrophysics Data System (ADS)

Nanda Kishore, G.; Gayathri, B.

2017-08-01

Serious environmental problems by means of increasing the production of Ordinary Portland cement (OPC), which is conventionally used as the primary binder to produce cement concrete. An attempt has been made to reduce the use of ordinary Portland cement in cement concrete. There is no standard mix design of geo-polymer concrete, an effort has been made to know the physical, chemical properties and optimum mix of geo-polymer concrete mix design. Concrete cubes of 100 x 100 x 100 mm were prepared and cured under steam curing for about 24 hours at temperature range of 40°C to 60°C. Fly ash is replaced partially with rice husk ash at percentage of 10%, 15% and 25%. Sodium hydroxide and sodium silicate are of used as alkaline activators with 5 Molar and 10 Molar NaOH solutions. Natural sand is replaced with manufacture sand. Test results were compared with controlled concrete mix of grade M30. The results shows that as the percentage of rice husk ash and water content increases, compressive strength will be decreases and as molarity of the alkaline solution increases, strength will be increases.

What is the fundamental ion-specific series for anions and cations? Ion specificity in standard partial molar volumes of electrolytes and electrostriction in water and non-aqueous solvents.

PubMed

Mazzini, Virginia; Craig, Vincent S J

2017-10-01

The importance of electrolyte solutions cannot be overstated. Beyond the ionic strength of electrolyte solutions the specific nature of the ions present is vital in controlling a host of properties. Therefore ion specificity is fundamentally important in physical chemistry, engineering and biology. The observation that the strengths of the effect of ions often follows well established series suggests that a single predictive and quantitative description of specific-ion effects covering a wide range of systems is possible. Such a theory would revolutionise applications of physical chemistry from polymer precipitation to drug design. Current approaches to understanding specific-ion effects involve consideration of the ions themselves, the solvent and relevant interfaces and the interactions between them. Here we investigate the specific-ion effects trends of standard partial molar volumes and electrostrictive volumes of electrolytes in water and eleven non-aqueous solvents. We choose these measures as they relate to bulk properties at infinite dilution, therefore they are the simplest electrolyte systems. This is done to test the hypothesis that the ions alone exhibit a specific-ion effect series that is independent of the solvent and unrelated to surface properties. The specific-ion effects trends of standard partial molar volumes and normalised electrostrictive volumes examined in this work show a fundamental ion-specific series that is reproduced across the solvents, which is the Hofmeister series for anions and the reverse lyotropic series for cations, supporting the hypothesis. This outcome is important in demonstrating that ion specificity is observed at infinite dilution and demonstrates that the complexity observed in the manifestation of specific-ion effects in a very wide range of systems is due to perturbations of solvent, surfaces and concentration on the underlying fundamental series. This knowledge will guide a general understanding of specific-ion effects and assist in the development of a quantitative predictive theory of ion specificity.

Experimental investigation of thermodynamic properties of binary mixture of acetic acid + n-butanol and acetic acid + water at temperature from 293.15 K to 343.15 K

NASA Astrophysics Data System (ADS)

Paul, M. Danish John; Shruthi, N.; Anantharaj, R.

2018-04-01

The derived thermodynamic properties like excess molar volume, partial molar volume, excess partial molar volume and apparent volume of binary mixture of acetic acid + n-butanolandacetic acid + water has been investigated using measured density of mixtures at temperatures from 293.15 K to 343.15.

Densities, Ultrasonic Speeds, and Excess Properties of Binary Mixtures of Diethylene Glycol with 1-Butanol, 2-Butanol, and 1,4-Butanediol at Different Temperatures

NASA Astrophysics Data System (ADS)

Ali, Anwar; Ansari, Sana; Uzair, Sahar; Tasneem, Shadma; Nabi, Firdosa

2015-11-01

Densities ρ and ultrasonic speeds u for pure diethylene glycol, 1-butanol, 2-butanol, and 1,4-butanediol and for their binary mixtures over the entire composition range were measured at 298.15 K, 303.15 K, 308.15 K, and 313.15 K. Using these data, the excess molar volumes, VE_m, deviations in isentropic compressibilities, {\\varDelta }ks, apparent molar volumes, V_{φi} , partial molar volumes, overline{V}_{m,i} , and excess partial molar volumes, overline{V}_{m,i}^E , have been calculated over the entire composition range, and also the excess partial molar volumes of the components at infinite dilution, overline{V}_{m,i}^{E,infty } have been calculated. The excess functions have been correlated using the Redlich-Kister equation at different temperatures. The variations of these derived parameters with composition and temperature are presented graphically.

Hydration of alcohol clusters in 1-propanol-water mixture studied by quasielastic neutron scattering and an interpretation of anomalous excess partial molar volume.

PubMed

Misawa, M; Inamura, Y; Hosaka, D; Yamamuro, O

2006-08-21

Quasielastic neutron scattering measurements have been made for 1-propanol-water mixtures in a range of alcohol concentration from 0.0 to 0.167 in mole fraction at 25 degrees C. Fraction alpha of water molecules hydrated to fractal surface of alcohol clusters in 1-propanol-water mixture was obtained as a function of alcohol concentration. Average hydration number N(ws) of 1-propanol molecule is derived from the value of alpha as a function of alcohol concentration. By extrapolating N(ws) to infinite dilution, we obtain values of 12-13 as hydration number of isolated 1-propanol molecule. A simple interpretation of structural origin of anomalous excess partial molar volume of water is proposed and as a result a simple equation for the excess partial molar volume is deduced in terms of alpha. Calculated values of the excess partial molar volumes of water and 1-propanol and the excess molar volume of the mixture are in good agreement with experimental values.

Commentary on the sphalerite geobarometer

USGS Publications Warehouse

Toulmin, P.; Barton, P.B.; Wiggins, L.B.

1991-01-01

The FeS content of sphalerite in assemblages with pyrite and pyrrhotite has been widely used and widely criticized as a geobarometer. The commonly accepted form of the geobarometer is based on the composition of sphalerite being independent of temperature below about 550??C at all pressures up to at least 10 kbar, but strong thermodynamic arguments require a significant temperature dependence in this region. Most minor components have a negligible effect on the relevant equilibria, but the effect of CuS is somewhat more significant. Molar and partial molar volumes for binary (ZnS-FeS) and ternary (ZnS-FeS-CuS) sphalerite solutions are presented; the ternary data are consistent with charge transfer between Cu and Fe. -from Authors

Thermodynamic-ensemble independence of solvation free energy.

PubMed

Chong, Song-Ho; Ham, Sihyun

2015-02-10

Solvation free energy is the fundamental thermodynamic quantity in solution chemistry. Recently, it has been suggested that the partial molar volume correction is necessary to convert the solvation free energy determined in different thermodynamic ensembles. Here, we demonstrate ensemble-independence of the solvation free energy on general thermodynamic grounds. Theoretical estimates of the solvation free energy based on the canonical or grand-canonical ensemble are pertinent to experiments carried out under constant pressure without any conversion.

[Orthodontic partial disimpaction of mandibular third molars prior to surgical extraction].

PubMed

Derton, Nicolà; Perini, Alessandro; Giordanetto, José; Biondi, Giovanni; Siciliani, Giuseppe

2009-06-01

Odontodysplasia of the third molars is a relatively common anomaly. The frequent complications associated with this disorder very often constitute an indication for extraction of the third molar. This surgical treatment can damage the lower alveolar nerve and/or trigger distal bone loss of the second molar, thus jeopardizing the future status of the periodontium. The author presents two case studies treated exclusively with miniscrews with no dental anchorage in order to achieve partial eruption of the third molar moving it away from the lower alveolar nerve and to avoid unwanted impact on other teeth. Following this procedure, the third molar was extracted without complications. In conclusion, this approach can offer an alternative to surgical treatment alone in cases where the proximity of tooth and nerve poses a significant risk.

Variation and decomposition of the partial molar volume of small gas molecules in different organic solvents derived from molecular dynamics simulations.

PubMed

Klähn, Marco; Martin, Alistair; Cheong, Daniel W; Garland, Marc V

2013-12-28

The partial molar volumes, V(i), of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. V(i) is determined with the direct method, while the composition of V(i) is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated V(i) deviate only 3.4 cm(3) mol(-1) (7.1%) from experimental literature values. Experimental V(i) variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of V(i) variations. In all solutions, larger V(i) are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus V(i). Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the V(i) trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute movement. This wake behind the moving solute is more pronounced in case of mobile H2 and in solvents with weaker internal interactions. However, deviations from a spherical solvent cage shape do not influence solute-solvent radial distribution functions after averaging over all solvent cage orientations and hence do not change V(i). Overall, the applied methodology reproduces V(i) and its variations reliably and the used V(i) decompositions identify the underlying reasons behind observed V(i) variations.

Variation and decomposition of the partial molar volume of small gas molecules in different organic solvents derived from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Klähn, Marco; Martin, Alistair; Cheong, Daniel W.; Garland, Marc V.

2013-12-01

The partial molar volumes, bar V_i, of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. bar V_i is determined with the direct method, while the composition of bar V_i is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated bar V_i deviate only 3.4 cm3 mol-1 (7.1%) from experimental literature values. Experimental bar V_i variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of bar V_i variations. In all solutions, larger bar V_i are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus bar V_i. Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the bar V_i trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute movement. This wake behind the moving solute is more pronounced in case of mobile H2 and in solvents with weaker internal interactions. However, deviations from a spherical solvent cage shape do not influence solute-solvent radial distribution functions after averaging over all solvent cage orientations and hence do not change bar V_i. Overall, the applied methodology reproduces bar V_i and its variations reliably and the used bar V_i decompositions identify the underlying reasons behind observed bar V_i variations.

A simple way to intrude overerupted upper second molars with miniscrews.

PubMed

Cao, Yang; Liu, Chufeng; Wang, Chunxian; Yang, Xiaoyu; Duan, Peijia; Xu, Chenrong

2013-12-01

Various methods of using skeletal anchorage for the intrusion of overerupted maxillary molars have been reported; however, it is difficult to intrude the overerupted upper second molars because of the low bone density in the region of the tuberosity. This article illustrates a new treatment method using partial fixed edgewise appliances and miniscrews to intrude the overerupted upper second molars. The miniscrews were applied to reinforce the anchorage of the upper first molar. The intrusive force was generated by the Ni-Ti wire. The clinical results showed a significant intrusion effect without root resorption or periodontal problems. This report demonstrates that the combination of partial conventional fixed appliances with miniscrews is a simple and effective treatment option to intrude overerupted upper second molars, especially in situations where miniscrews cannot be inserted directly next to the second molar. © 2013 by the American College of Prosthodontists.

Live-born diploid fetus complicated with partial molar pregnancy presenting with pre-eclampsia, maternal anemia, and seemingly huge placenta: A rare case of confined placental mosaicism and literature review.

PubMed

Kawasaki, Kaoru; Kondoh, Eiji; Minamiguchi, Sachiko; Matsuda, Fumihiko; Higasa, Koichiro; Fujita, Kohei; Mogami, Haruta; Chigusa, Yoshitsugu; Konishi, Ikuo

2016-08-01

A partial molar pregnancy almost always ends in miscarriage due to a triploid fetus. We describe a rare case of a singleton, partial molar pregnancy with a seemingly huge placenta, which continued to delivery of a live-born diploid baby. A 27-year-old primigravida suffered from severe pre-eclampsia and progressive anemia. The uterus was enormously enlarged for the gestational age. A cesarean section was performed because of deterioration of maternal status at 25 weeks' gestation, when more than 3000 mL blood spouted concurrently with the delivery of the placenta. The histological examination showed congestion in the decidua, which indicated disturbance of maternal venous return from the intervillous space. The chromosome complement of the placenta and the neonate were 69,XXX and 46,XX, respectively. We also reviewed all published cases of a singleton, partial molar pregnancy. A literature search yielded 18 cases of a singleton, diploid fetus with partial molar pregnancy. The mean gestational age at delivery was 24.5 ± 6.2 weeks, and fetuses survived outside the uterus in only four cases (22.2%). Intriguingly, previous reports numbered 10 cases with diploid placenta as well as five cases with no karyotyping of the placenta, indicating that they may have included a complete mole in a twin pregnancy or placental mesenchymal dysplasia. In conclusion, this was the first case of placentomegaly that presented manifestations of excessive abdominal distension and maternal severe anemia, and the second case of a singleton, partial molar pregnancy confirmed by chromosome analysis resulting in a diploid living baby. © 2016 Japan Society of Obstetrics and Gynecology.

Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom.

PubMed

Yang, Bin; Li, Zhongjian; Lei, Lecheng; Sun, Feifei; Zhu, Jingke

2016-02-01

The solubilities of 19 different kinds of N-heteroaromatic compounds in aqueous solutions with different concentrations of NaCl were determined at 298.15 K with a UV-vis spectrophotometry and titration method, respectively. Setschenow constants, Ks, were employed to describe the solubility behavior, and it is found that the higher ring numbers of N-heteroaromatics gave rise to the lower values of Ks. Moreover, Ks showed a good linear relationship with the partial charge on the nitrogen atom (QN) for either QN > 0 or QN < 0 N-heteroaromatics. It further revealed that QN was well-matched in the prediction of salting-out effect for N-heteroaromatics compared to the conventional descriptors such as molar volume (VH) and the octanol-water partition coefficient (Kow). The heterocyclic N in N-heteroaromatics may interact with Na(+) ions in NaCl solution for QN < 0 and with Cl(-) for QN > 0.

Prevalence of missing and impacted third molars in adults aged 25 years and above

PubMed Central

Jung, Yun-Hoa

2013-01-01

Purpose The purpose of this study was to determine the prevalence of missing and impacted third molars in people aged 25 years and above. Materials and Methods The study sample of 3,799 patients was chosen randomly from patients who visited Pusan National University Dental Hospital and had panoramic radiographs taken. The data collected included presence and impaction state, angulation, and depth of impaction of third molars, and radiographically detected lesions of third molars and adjacent second molars. Results A greater percentage of men than women retained at least one third molar. The incidence of third molars decreased with increasing age. The incidence of partially impacted third molars greatly declined after the age of 30. Vertically impacted maxillary third molars and horizontally impacted mandibular third molars were most frequent in all age groups. Among the maxillary third molars, those impacted below the cervical line of the second molar were most frequent in all age groups, and among the mandibular third molars, deeply impacted third molars were most frequent in those aged over 40. Dental caries was the most common radiographic lesion of the third molars. Mesioangularly impacted third molars showed radiographic lesions in 13 (9.5%) adjacent maxillary second molars and 117 (27.4%) mandibular second molars. Conclusion The number of remaining third molars decreased and the percentage of Class C depth increased with age. Caries was the most frequent lesion in third molars. Partially impacted mesioangular third molars showed a high incidence of caries or periodontal bone loss of the adjacent second molar. Regular oral examination will be essential to keep asymptomatic third molars in good health. PMID:24380060

Solubility enhancement of simvastatin by arginine: thermodynamics, solute–solvent interactions, and spectral analysis

PubMed Central

Meor Mohd Affandi, MMR; Tripathy, Minaketan; Shah, Syed Adnan Ali; Majeed, ABA

2016-01-01

We examined the solubility of simvastatin in water in 0.01 mol·dm−3, 0.02 mol·dm−3, 0.04 mol·dm−3, 0.09 mol·dm−3, 0.18 mol·dm−3, 0.36 mol·dm−3, and 0.73 mol·dm−3 arginine (ARG) solutions. The investigated drug is termed the solute, whereas ARG the cosolute. Phase solubility studies illustrated a higher extent of solubility enhancement for simvastatin. The aforementioned system was subjected to conductometric and volumetric measurements at temperatures (T) of 298.15 K, 303.15 K, 308.15 K, and 313.15 K to illustrate the thermodynamics involved and related solute–solvent interactions. The conductance values were used to evaluate the limiting molar conductance and association constants. Thermodynamic parameters (ΔG0, ΔH0, ΔS0, and Es) for the association process of the solute in the aqueous solutions of ARG were calculated. Limiting partial molar volumes and expansibilities were evaluated from the density values. These values are discussed in terms of the solute–solvent and solute–cosolute interactions. Further, these systems were analyzed using ultraviolet–visible analysis, Fourier-transform infrared spectroscopy, and 13C, 1H, and two-dimensional nuclear overhauser effect spectroscopy nuclear magnetic resonance to complement thermophysical explanation. PMID:27041998

What is the fundamental ion-specific series for anions and cations? Ion specificity in standard partial molar volumes of electrolytes and electrostriction in water and non-aqueous solvents† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02691a Click here for additional data file.

PubMed Central

Mazzini, Virginia

2017-01-01

The importance of electrolyte solutions cannot be overstated. Beyond the ionic strength of electrolyte solutions the specific nature of the ions present is vital in controlling a host of properties. Therefore ion specificity is fundamentally important in physical chemistry, engineering and biology. The observation that the strengths of the effect of ions often follows well established series suggests that a single predictive and quantitative description of specific-ion effects covering a wide range of systems is possible. Such a theory would revolutionise applications of physical chemistry from polymer precipitation to drug design. Current approaches to understanding specific-ion effects involve consideration of the ions themselves, the solvent and relevant interfaces and the interactions between them. Here we investigate the specific-ion effects trends of standard partial molar volumes and electrostrictive volumes of electrolytes in water and eleven non-aqueous solvents. We choose these measures as they relate to bulk properties at infinite dilution, therefore they are the simplest electrolyte systems. This is done to test the hypothesis that the ions alone exhibit a specific-ion effect series that is independent of the solvent and unrelated to surface properties. The specific-ion effects trends of standard partial molar volumes and normalised electrostrictive volumes examined in this work show a fundamental ion-specific series that is reproduced across the solvents, which is the Hofmeister series for anions and the reverse lyotropic series for cations, supporting the hypothesis. This outcome is important in demonstrating that ion specificity is observed at infinite dilution and demonstrates that the complexity observed in the manifestation of specific-ion effects in a very wide range of systems is due to perturbations of solvent, surfaces and concentration on the underlying fundamental series. This knowledge will guide a general understanding of specific-ion effects and assist in the development of a quantitative predictive theory of ion specificity. PMID:29147533

Infinite dilution partial molar volumes of platinum(II) 2,4-pentanedionate in supercritical carbon dioxide.

PubMed

Kong, Chang Yi; Siratori, Tomoya; Funazukuri, Toshitaka; Wang, Guosheng

2014-10-03

The effects of temperature and density on retention of platinum(II) 2,4-pentanedionate in supercritical fluid chromatography were investigated at temperatures of 308.15-343.15K and pressure range from 8 to 40MPa by the chromatographic impulse response method with curve fitting. The retention factors were utilized to derive the infinite dilution partial molar volumes of platinum(II) 2,4-pentanedionate in supercritical carbon dioxide. The determined partial molar volumes were small and positive at high pressures but exhibited very large and negative values in the highly compressible near critical region of carbon dioxide. Copyright © 2014 Elsevier B.V. All rights reserved.

A finite element analysis of the stress distribution to the mandible from impact forces with various orientations of third molars*

PubMed Central

Liu, Yun-feng; Wang, Russell; Baur, Dale A.; Jiang, Xian-feng

2018-01-01

Objective: To investigate the stress distribution to the mandible, with and without impacted third molars (IM3s) at various orientations, resulting from a 2000-Newton impact force either from the anterior midline or from the body of the mandible. Materials and methods: A 3D mandibular virtual model from a healthy dentate patient was created and the mechanical properties of the mandible were categorized to 9 levels based on the Hounsfield unit measured from computed tomography (CT) images. Von Mises stress distributions to the mandibular angle and condylar areas from static impact forces (Load I-front blow and Load II left blow) were evaluated using finite element analysis (FEA). Six groups with IM3 were included: full horizontal bony, full vertical bony, full 450 mesioangular bony, partial horizontal bony, partial vertical, and partial 450 mesioangular bony impaction, and a baseline group with no third molars. Results: Von Mises stresses in the condyle and angle areas were higher for partially than for fully impacted third molars under both loading conditions, with partial horizontal IM3 showing the highest fracture risk. Stresses were higher on the contralateral than on the ipsilateral side. Under Load II, the angle area had the highest stress for various orientations of IM3s. The condylar region had the highest stress when IM3s were absent. Conclusions: High-impact forces are more likely to cause condylar rather than angular fracture when IM3s are missing. The risk of mandibular fracture is higher for partially than fully impacted third molars, with the angulation of impaction having little effect on facture risk. PMID:29308606

Translational Diffusion Coefficient and Partition Coefficient of a Spin-Labeled Solute in Lecithin Bilayer Membranes

PubMed Central

Dix, James A.; Diamond, Jared M.; Kivelson, Daniel

1974-01-01

The translational diffusion coefficient and the partition coefficient of a spin-labeled solute, di-t-butyl nitroxide, in an aqueous suspension of dipalmitoyl lecithin vesicles have been studied by electron spin resonance spectroscopy. When the lecithin is cooled through its phase transition temperature near 41°C, some solute is “frozen out” of the bilayer, and the standard partial molar enthalpy and entropy of partition go more positive by a factor of 8 and 6, respectively. However, the apparent diffusion constant in the lecithin phase is only slightly smaller than that in water, both above and below the transition temperature. The fraction of bilayer volume within which solute is distributed may increase with temperature, contributing to the positive enthalpy of partition. Comparison of time constants suggests that there is a permeability barrier to this solute in the periphery of the bilayer. PMID:4360944

Separation of metal ions in nitrate solution by ultrasonic atomization

NASA Astrophysics Data System (ADS)

Sato, Masanori; Ikeno, Masayuki; Fujii, Toshitaka

2004-11-01

In the ultrasonic atomization of metal nitrate solutions, the molar ratio of metal ions is changed between solution and mist. Small molar metal ions tend to be transferred to mist by ultrasonic wave acceleration, while large molar ions tend to remain in solution. As a result, metal ions can be separated by ultrasonic atomization. We show experimental data and propose a conceptual mechanism for the ultrasonic separation of metal ions.

A computer simulation study of the temperature dependence of the hydrophobic hydration

NASA Astrophysics Data System (ADS)

Guillot, B.; Guissani, Y.

1993-11-01

The test particle method is used to evaluate by molecular dynamics calculations the solubility of rare gases and of methane in water between the freezing point and the critical point. A quantitative agreement is obtained between solubility data and simulation results when the simulated water is modeled by the extended simple point charge model (SPCE). From a thermodynamical point of view, it is shown that the hierarchy of rare gases solubilities in water is governed by the solute-water interaction energy while an entropic term of cavity formation is found to be responsible for the peculiar temperature dependence of the solubility along the coexistence curve, and more precisely, of the solubility minimum exhibited by all the investigated solutes. Near the water critical point, the asymptotic behaviors of the Henry's constant and of the vapor-liquid partition coefficient, respectively, as deduced from the simulation data follow with a good accuracy the critical laws recently proposed in the literature for these quantities. Moreover, the calculated partial molar volume of the solute shows a steep increase above 473 K and becomes proportional to the isothermal compressibility of the pure solvent in the vicinity of the critical point as it is observed experimentally. From a microscopic point of view, the evaluation of the solute-solvent pair distribution functions permits to establish a relationship between the increase of the solubility with the decrease of the temperature in cold water on the one hand, and the formation of cages of the clathrate-type around the solute on the other hand. Nevertheless, as soon as the boiling point of water is reached the computer simulation shows that the water molecules of the first hydration shell are no longer oriented tangentially to the solute and tend to reorientate towards the bulk. At higher temperatures a deficit of water molecules progressively appears around the solute, a deficit which is directly associated with an increase of the partial molar volume. Although this phenomenon could be related to what is observed in supercritical mixtures it is emphasized that no long range critical fluctuation is present in the simulated sample.

The effects of lesion baseline characteristics and different Sr:Ca ratios in plaque fluid-like solutions on caries lesion de- and remineralization.

PubMed

Lippert, Frank

2012-10-01

This study investigated the effects of lesion baseline characteristics and different strontium (Sr) to calcium (Ca) ratios in plaque fluid-like solutions (PF) on lesion de- and remineralization. Caries lesions were formed in enamel using three protocols: methylcellulose acid gel (MeC) and partially saturated lactic acid solutions containing carboxymethylcellulose (CMC) or not (SOLN). Lesions were exposed to PF with four distinct Sr:Ca molar ratios (0:1/3:1:3), but otherwise identical composition and total Sr+Ca molarity, for seven days. Lesions were characterized using transverse microradiography (TMR) at baseline and post-treatment. At baseline, MeC and CMC had similar integrated mineral loss values, whereas SOLN lesions were more demineralized. All lesions showed significant differences in their mineral distributions, with CMC and SOLN having lower R values (integrated mineral loss to lesion depth ratio) than MeC. Post-PF exposure, no interaction was found between lesion type and Sr:Ca ratio. Within lesion type, MeC demineralized, whereas CMC and SOLN exhibited some remineralization, with the differences between MeC and the other lesion types being of statistical significance. Within Sr:Ca ratio, the 1:3 ratio exhibited some remineralization whereas other groups tended to demineralize. Only the difference between groups SrCa1/3 and SrCa0 was of statistical significance. In summary, both lesion baseline characteristics and Sr:Ca ratio were shown to effect lesion de- and remineralization. Under the conditions of the study, high-R lesions are more prone to demineralize under PF-like conditions than low-R lesions. In addition, partial Sr substitution for Ca in PF was shown to enhance lesion remineralization. Copyright © 2012 Elsevier Ltd. All rights reserved.

Free energies of formation of WC and WzC and the thermodynamic properties of carbon in solid tungsten

NASA Technical Reports Server (NTRS)

Gupta, D. K.; Seigle, L. L.

1974-01-01

The activity of carbon in the two-phase regions - W + WC and W + W2C was obtained from the carbon content of iron rods equilibrated with mixtures of metal plus carbide powders. From this activity data the standard free energies of formation of WC and W2C were calculated. The temperature of the invariant reaction W2C = W + WC was fixed at 1570 + or - 5K. Using available solubility data for C in solid W, the partial molar free energy of C in the dilute solid solution was also calculated. The heat of solution of C in W, and the excess entropy for the interstitial solid solution, were computed, assuming that the carbon atoms reside in the octahedral interstices of bcc W.

Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction.

PubMed

Palmer, David S; Frolov, Andrey I; Ratkova, Ekaterina L; Fedorov, Maxim V

2010-12-15

We report a simple universal method to systematically improve the accuracy of hydration free energies calculated using an integral equation theory of molecular liquids, the 3D reference interaction site model. A strong linear correlation is observed between the difference of the experimental and (uncorrected) calculated hydration free energies and the calculated partial molar volume for a data set of 185 neutral organic molecules from different chemical classes. By using the partial molar volume as a linear empirical correction to the calculated hydration free energy, we obtain predictions of hydration free energies in excellent agreement with experiment (R = 0.94, σ = 0.99 kcal mol (- 1) for a test set of 120 organic molecules).

Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

NASA Astrophysics Data System (ADS)

Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

2017-02-01

Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

Activity coefficients from molecular simulations using the OPAS method

NASA Astrophysics Data System (ADS)

Kohns, Maximilian; Horsch, Martin; Hasse, Hans

2017-10-01

A method for determining activity coefficients by molecular dynamics simulations is presented. It is an extension of the OPAS (osmotic pressure for the activity of the solvent) method in previous work for studying the solvent activity in electrolyte solutions. That method is extended here to study activities of all components in mixtures of molecular species. As an example, activity coefficients in liquid mixtures of water and methanol are calculated for 298.15 K and 323.15 K at 1 bar using molecular models from the literature. These dense and strongly interacting mixtures pose a significant challenge to existing methods for determining activity coefficients by molecular simulation. It is shown that the new method yields accurate results for the activity coefficients which are in agreement with results obtained with a thermodynamic integration technique. As the partial molar volumes are needed in the proposed method, the molar excess volume of the system water + methanol is also investigated.

Oxygen nonstoichiometry and thermodynamic quantities in solid solution SrFe1-xSnxO3-δ

NASA Astrophysics Data System (ADS)

Merkulov, O. V.; Markov, A. A.; Leonidov, I. A.; Patrakeev, M. V.; Kozhevnikov, V. L.

2018-06-01

The oxygen content (3-δ) variations in tin substituted derivatives SrFe1-xSnxO3-δ, where x = 0.05, 0.1, 0.17 and 0.25, of perovskite-like strontium ferrite, have been studied by coulometric titration measurements within oxygen partial pressure (pO2) range 10-19-10-2 atm at 800-950 °С. The obtained dependencies of (3-δ) from pO2 and temperature are used for calculations of partial molar thermodynamic functions of oxygen in the oxide structure. It is found that a satisfactory explanation of the experimental results can be attained within frameworks of the ideal solution model with ion and electron defects appearing in the result of oxidation and disproportionation of iron cations. The increase of the oxidation reaction enthalpy with tin content is consistent with the increase of the unit cell parameter, i.e., the stretch and relaxation of Fe-O chemical bonds.

Physicochemical properties of binary solutions of propylene carbonate-acetonitrile in the range of 253.15-313.15 K

NASA Astrophysics Data System (ADS)

Tyunina, E. Yu.; Chekunova, M. D.

2017-05-01

The density, dynamic viscosity, and dielectric constant of propylene carbonate solutions with acetonitrile are measured over the composition of a mixed solvent at temperatures of 253.15, 273.15, 293.15, and 313.15 K. The molar volume, molar viscosity, and molar capacity of a mixture of propylene carbonate-acetonitrile and an excess amount of it are calculated. The effect the temperature and composition of the mixture have on the excess molar properties is discussed. A linear correlation is observed between the values of the molar fluidity, capacity, polarization, and molar volume of the studied system.

Changes in apparent molar water volume and DKP solubility yield insights on the Hofmeister effect.

PubMed

Payumo, Alexander Y; Huijon, R Michael; Mansfield, Deauna D; Belk, Laurel M; Bui, Annie K; Knight, Anne E; Eggers, Daryl K

2011-12-15

This study examines the properties of a 4 × 2 matrix of aqueous cations and anions at concentrations up to 8.0 M. The apparent molar water volume, as calculated by subtracting the mass and volume of the ions from the corresponding solution density, was found to exceed the molar volume of ice in many concentrated electrolyte solutions, underscoring the nonideal behavior of these systems. The solvent properties of water were also analyzed by measuring the solubility of diketopiperazine (DKP) in 2.000 M salt solutions prepared from the same ion combinations. Solution rankings for DKP solubility were found to parallel the Hofmeister series for both cations and anions, whereas molar water volume concurred with the cation series only. The results are discussed within the framework of a desolvation energy model that attributes solute-specific changes in equilibria to solute-dependent changes in the free energy of bulk water.

Changes in Apparent Molar Water Volume and DKP Solubility Yield Insights on the Hofmeister Effect

PubMed Central

Payumo, Alexander Y.; Huijon, R. Michael; Mansfield, Deauna D.; Belk, Laurel M.; Bui, Annie K.; Knight, Anne E.; Eggers, Daryl K.

2011-01-01

This study examines the properties of a 4 × 2 matrix of aqueous cations and anions at concentrations up to 8.0 M. The apparent molar water volume, as calculated by subtracting the mass and volume of the ions from the corresponding solution density, was found to exceed the molar volume of ice in many concentrated electrolyte solutions, underscoring the non-ideal behavior of these systems. The solvent properties of water were also analyzed by measuring the solubility of diketopiperazine (DKP) in 2.000 M salt solutions prepared from the same ion combinations. Solution rankings for DKP solubility were found to parallel the Hofmeister series for both cations and anions, whereas molar water volume concurred with the cation series only. The results are discussed within the framework of a desolvation energy model that attributes solute-specific changes in equilibria to solute-dependent changes in the free energy of bulk water. PMID:22029390

Complication of improper management of sodium hypochlorite accident during root canal treatment

PubMed Central

Faras, Fatemah; Abo-Alhassan, Fawaz; Sadeq, Abdullah; Burezq, Hisham

2016-01-01

Sodium Hypochlorite (NaOCl) is a common irrigation solution used in root canal treatment. It has strong antibacterial and tissue dissolving properties. Nevertheless, it has some serious complications, some of which are life-threatening. A young male presented with severe chemical burn of the right infraorbital area and partial necrosis of the hard palate resulting from extrusion of NaOCl during root canal treatment of the upper right 2nd molar tooth. The patient had a facial scar, and mucosal damage healed nearly completely. Several precautions must be taken during NaOCl use to prevent the spread of the solution into surrounding tissues. Early recognition of NaOCl accident and proper immediate management are important to achieve the best possible outcome. PMID:27891318

NEUTRALIZATIONS OF HIGH ALUMINUM LOW URANIUM USED NUCLEAR FUEL SOLUTIONS CONTAINING GADOLINIUM AS A NEUTRON POISON

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taylor-Pashow, K.

2011-06-08

H-Canyon will begin dissolving High Aluminum - Low Uranium (High Al/Low U) Used Nuclear Fuel (UNF) following approval by DOE which is anticipated in CY2011. High Al/Low U is an aluminum/enriched uranium UNF with small quantities of uranium relative to aluminum. The maximum enrichment level expected is 93% {sup 235}U. The High Al/Low U UNF will be dissolved in H-Canyon in a nitric acid/mercury/gadolinium solution. The resulting solution will be neutralized and transferred to Tank 39H in the Tank Farm. To confirm that the solution generated could be poisoned with Gd, neutralized, and discarded to the Savannah River Site (SRS)more » high level waste (HLW) system without undue nuclear safety concerns the caustic precipitation of simulant solutions was examined. Experiments were performed with three simulant solutions representative of the H-Canyon estimated concentrations in the final solutions after dissolution. The maximum U, Gd, and Al concentration were selected for testing from the range of solution compositions provided. Simulants were prepared in three different nitric acid concentrations, ranging from 0.5 to 1.5 M. The simulant solutions were neutralized to four different endpoints: (1) just before a solid phase was formed (pH 3.5-4), (2) the point where a solid phase was obtained, (3) 0.8 M free hydroxide, and (4) 1.2 M free hydroxide, using 50 wt % sodium hydroxide (NaOH). The settling behavior of the neutralized solutions was found to be slower compared to previous studies, with settling continuing over a one week period. Due to the high concentration of Al in these solutions, precipitation of solids was observed immediately upon addition of NaOH. Precipitation continued as additional NaOH was added, reaching a point where the mixture becomes almost completely solid due to the large amount of precipitate. As additional NaOH was added, some of the precipitate began to redissolve, and the solutions neutralized to the final two endpoints mixed easily and had expected densities of typical neutralized waste. Based on particle size and scanning electron microscopy analyses, the neutralized solids were found to be homogeneous and less than 20 microns in size. The majority of solids were less than 4 microns in size. Compared to previous studies, a larger percentage of the Gd was found to precipitate in the partially neutralized solutions (at pH 3.5-4). In addition the Gd:U mass ratio was found to be at least 1.0 in all of the solids obtained after partial or full neutralization. The hydrogen to U (H:U) molar ratios for two accident scenarios were also determined. The first was for transient neutralization and agitator failure. Experimentally this scenario was determined by measuring the H:U ratio of the settled solids. The minimum H:U molar ratio for solids from fully neutralized solutions was 388:1. The second accident scenario is for the solids drying out in an unagitiated pump box. Experimentally, this scenario was determined by measuring the H:U molar ratio in centrifuged solids. The minimum H:U atom ratios for centrifuged precipitated solids was 250:1. It was determined previously that a 30:1 H:Pu atom ratio was sufficient for a 1:1 Gd:Pu mass ratio. Assuming a 1:1 equivalence with {sup 239}Pu, the results of these experiments show Gd is a viable poison for neutralizing U/Gd solutions with the tested compositions.« less

Synthesis of Non-Toxic Silica Particles Stabilized by Molecular Complex Oleic-Acid/Sodium Oleate

PubMed Central

Spataru, Catalin Ilie; Ianchis, Raluca; Petcu, Cristian; Nistor, Cristina Lavinia; Purcar, Violeta; Trica, Bogdan; Nitu, Sabina Georgiana; Somoghi, Raluca; Alexandrescu, Elvira; Oancea, Florin; Donescu, Dan

2016-01-01

The present work is focused on the preparation of biocompatible silica particles from sodium silicate, stabilized by a vesicular system containing oleic acid (OLA) and its alkaline salt (OLANa). Silica nanoparticles were generated by the partial neutralization of oleic acid (OLA), with the sodium cation present in the aqueous solutions of sodium silicate. At the molar ratio OLA/Na+ = 2:1, the molar ratio (OLA/OLANa = 1:1) required to form vesicles, in which the carboxyl and carboxylate groups have equal concentrations, was achieved. In order to obtain hydrophobically modified silica particles, octadecyltriethoxysilane (ODTES) was added in a sodium silicate sol–gel mixture at different molar ratios. The interactions between the octadecyl groups from the modified silica and the oleyl chains from the OLA/OLANa stabilizing system were investigated via simultaneous thermogravimetry (TG) and differential scanning calorimetry (DSC) (TG-DSC) analyses.A significant decrease in vaporization enthalpy and an increase in amount of ODTES were observed. Additionally, that the hydrophobic interaction between OLA and ODTES has a strong impact on the hybrids’ final morphology and on their textural characteristics was revealed. The highest hydrodynamic average diameter and the most negative ζ potential were recorded for the hybrid in which the ODTES/sodium silicate molar ratio was 1:5. The obtained mesoporous silica particles, stabilized by the OLA/OLANa vesicular system, may find application as carriers for hydrophobic bioactive molecules. PMID:27869768

The retention of pit and fissure sealants placed in primary school children by Dental Health Services, Victoria.

PubMed

Messer, L B; Calache, H; Morgan, M V

1997-08-01

The benefit of a public sector sealant programme for children in Australia is yet to be established. This study evaluated sealants placed by therapists of the School Dental Service in Victoria, between 1989 and 1994, on permanent teeth of children in 15 primary schools in Melbourne. Seven hundred and seventy four children aged 6-12 years were examined in school dental clinics by six calibrated examiners. A total of 5363 sealants placed on 2875 permanent teeth (including 2616 first molars, 91 per cent of sample) up to four and a half years previously was examined. Values for complete and partial sealant retention were highest for premolars (86 per cent, 9 per cent respectively, total 95 per cent); similar for occlusal surfaces of maxillary and mandibular first molars (63 per cent, 30 per cent; 62 per cent, 32 per cent respectively) and buccal pits of mandibular molars (66 per cent); and low for pits/fissures of Carabelli's cusps of maxillary molars (44 per cent). Cross-sectional examination up to 24 months for both maxillary and mandibular first molars indicated average values of 67 per cent complete retention, 27 per cent partial retention, 6 per cent missing; thereafter complete retention decreased and partial retention increased. Sealant failures in the six months post-placement were attributed to technique failure. Regardless of sealant retention, caries experience was low under partially retained or missing sealants (4.5 per cent) and completely retained sealants (0.4 per cent). It is concluded that the SDS sealant programme is a sound preventive dental public health approach.

Dilatometric measurement of the partial molar volume of water sorbed to durum wheat flour.

PubMed

Hasegawa, Ayako; Ogawa, Takenobu; Adachi, Shuji

2013-01-01

Moisture sorption isotherms were measured at 25 °C for untreated, dry-heated and pre-gelatinized durum wheat flour samples. The isotherms could be expressed by the Guggenheim-Anderson-de Boer equation. The amount of water sorbed to the untreated flour was highest for low water activity, with water sorbed to the pre-gelatinized and dry-heated flour samples following. The dry-heated and pregelatinized flour samples exhibited the same dependence of the moisture content on the partial molar volume of water at 25 °C as the untreated flour. The partial molar volume of water was ca. 9 cm(3)/mol at a moisture content of 0.03 kg-H2O/kg-d.m. The volume increased with increasing moisture content, and reached a constant value of ca. 17.5 cm(3)/mol at a moisture content of 0.2 kg-H2O/kg-d.m. or higher.

Protraction of mandibular second and third molars assisted by partial corticision and miniscrew anchorage.

PubMed

Mimura, Hiroshi

2013-08-01

A woman, aged 47 years 6 months, with an anterior open bite and a left-shifted mandible was treated with a mandibular right first molar extraction and without orthognathic surgery. However, her mandibular second molar did not move mesially during treatment because of the dense lamina dura; therefore, corticision was applied only on the mesial aspect of the mandibular second molar, and a miniscrew was inserted simultaneously. Corticision was introduced as a supplemental dentoalveolar surgery in orthodontic therapy to achieve accelerated tooth movement with minimal surgical intervention. In this technique, a reinforced scalpel was used as a thin chisel to separate the interproximal cortices transmucosally without a flap. This technique was applied not to accelerate tooth movement, but to protract the mandibular molars. One miniscrew was inserted on the mesiobuccal side of the mandibular right molar for protraction and intrusion. In addition, 2 miniscrews were inserted in the buccal sides of the maxillary first and second molars and the palatal side of the maxillary first molar to intrude them for correction of the mandibular shift and the cant of the occlusal plane. Excellent occlusion and correction of the anterior open bite were achieved without surgery. At the 2-year follow-up examination, the patient had a good occlusion and showed good stability with no opening of the extraction space. A partial corticision is an effective option for facilitating movement of mandibular molars. Copyright © 2013 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.

Enthalpy of mixing of liquid Co–Sn alloys

PubMed Central

Yakymovych, A.; Fürtauer, S.; Elmahfoudi, A.; Ipser, H.; Flandorfer, H.

2014-01-01

A literature overview of enthalpy of mixing data for liquid Co–Sn alloys shows large scattering but no clear temperature dependence. Therefore drop calorimetry was performed in the Co–Sn system at twelve different temperatures in 100 K steps in the temperature range (673 to 1773) K. The integral enthalpy of mixing was determined starting from 1173 K and fitted to a standard Redlich–Kister polynomial. In addition, the limiting partial molar enthalpy of Co in Sn was investigated by small additions of Co to liquid Sn at temperatures (673 to 1773) K. The integral and partial molar enthalpies of the Co–Sn system generally show an exothermic mixing behavior. Significant temperature dependence was detected for the enthalpies of mixing. The minimum integral enthalpy values vary with rising temperature from approx. −7820 J/mol at T = 1173 K to −1350 J/mol at T = 1773 K; the position of the minimum is between (59 and 61) at.% Co. The results are discussed and compared with literature data available for this system. X-ray studies and scanning electron microscopy of selected alloys obtained from the calorimetric measurements were carried out in order to check the completeness of the solution process. PMID:24994940

Thermodynamic properties of deep eutectic solvent and ionic liquid mixtures at temperatures from 293.15 K to 343.15 K

NASA Astrophysics Data System (ADS)

Achsah, R. S.; Shyam, S.; Mayuri, N.; Anantharaj, R.

2018-04-01

Deep eutectic solvents (DES) and ionic liquids (ILs) have their applications in various fields of research and in industries due to their attractive physiochemical properties. In this study, the combined thermodynamic properties of DES (choline chloride-glycerol) + IL1 (1-butyl-3-methylimiazolium acetate) and DES(choline chloride-glycerol) + IL2 (1-ethyl-3-methylimadzolium ethyl sulphate) have been studied. The thermodynamic properties such as excess molar volume, partial molar volume, excess partial molar volume and apparent molar volume were calculated for different mole fractions ranging from 0 to 1 and varying temperatures from 293.15 K to 343.15 K. In order to know the solvent properties of DESs and ILs mixtures at different temperatures and their molecular interactions to enhance the solvent performance and process efficiency at fixed composition and temperature the thermodynamic properties were analyzed.

Exploring Solute-Solvent Interactions of -Amino Acids in Aqueous [] Arrangements by Volumetric, Viscometric, Refractometric, and Acoustic Approach

NASA Astrophysics Data System (ADS)

Roy, Mahendra Nath; Roy, Milan Chandra; Basak, Saptarshi

2014-05-01

Qualitative and quantitative analysis of molecular interaction prevailing in glycine, l-alanine, l-valine, and aqueous solution of ionic liquid (IL) [1-ethylpyridinium tetrafluoroborate (] have been investigated by thermophysical properties. The apparent molar volume (), viscosity -coefficient, molal refraction (), and adiabatic compressibility ( of glycine, l-alanine, and l-valine have been studied in 0.001 mol , 0.003 mol , and 0.005 mol aqueous 1-ethylpyridinium tetrafluoroborate [] solutions at 298.15 K from the values of densities , viscosities (), refractive index (, and speed of sound , respectively. The extent of interaction, i.e., the solute-solvent interaction is expressed in terms of the limiting apparent molar volume (, viscosity -coefficient, and limiting apparent molar adiabatic compressibility (. The limiting apparent molar volumes (, experimental slopes ( derived from the Masson equation, and viscosity - and -coefficients using the Jones-Dole equation have been interpreted in terms of ion-ion and ion-solvent interactions, respectively. Molal refractions ( have been calculated with the help of the Lorentz-Lorenz equation. The role of the solvent (aqueous IL solution) and the contribution of solute-solute and solute-solvent interactions to the solution complexes have also been analyzed through the derived properties.

Exploration of interactions between bioactive solutes and vitamin B9 in aqueous medium by physico-chemical contrivances

NASA Astrophysics Data System (ADS)

Roy, Mahendra Nath; Chakraborti, Palash; Ekka, Deepak

2014-09-01

Molecular interaction prevailing in α-amino acids (glycine, L-alanine, L-valine) and aqueous solution of folic acid (FA) has been reported by physico-chemical properties as density (ρ), viscosity (η), refractive index (nD) and ultrasonic speed (u) at 298.15 K. The extent of interaction (solute-solvent interaction) is expressed in terms of the limiting apparent molar volume (φ0V), viscosity B-coefficient, molar refraction (RM) and limiting apparent molar adiabatic compressibility (φ0K). The trends in transfer volumes, Δφ0V, have been interpreted in terms of solute-cosolute interactions on the basis of a co-sphere overlap model. The role of the cosolute (FA), and the contribution of solute-solute and solute-solvent interactions to the solution complexes, has also been analysed through the derived properties.

Optical high acidity sensor

DOEpatents

Jorgensen, Betty S.; Nekimken, Howard L.; Carey, W. Patrick; O'Rourke, Patrick E.

1997-01-01

An apparatus and method for determining acid concentrations in solutions having acid concentrations of from about 0.1 Molar to about 16 Molar is disclosed. The apparatus includes a chamber for interrogation of the sample solution, a fiber optic light source for passing light transversely through the chamber, a fiber optic collector for receiving the collimated light after transmission through the chamber, a coating of an acid resistant polymeric composition upon at least one fiber end or lens, the polymeric composition in contact with the sample solution within the chamber and having a detectable response to acid concentrations within the range of from about 0.1 Molar to about 16 Molar, a measurer for the response of the polymeric composition in contact with the sample solution, and, a comparer of the measured response to predetermined standards whereby the acid molarity of the sample solution within the chamber can be determined. Preferably, a first lens is attached to the end of the fiber optic light source, the first lens adapted to collimate light from the fiber optic light source, and a second lens is attached to the end of the fiber optic collector for focusing the collimated light after transmission through the chamber.

Optical high acidity sensor

DOEpatents

Jorgensen, B.S.; Nekimken, H.L.; Carey, W.P.; O`Rourke, P.E.

1997-07-22

An apparatus and method for determining acid concentrations in solutions having acid concentrations of from about 0.1 Molar to about 16 Molar is disclosed. The apparatus includes a chamber for interrogation of the sample solution, a fiber optic light source for passing light transversely through the chamber, a fiber optic collector for receiving the collimated light after transmission through the chamber, a coating of an acid resistant polymeric composition upon at least one fiber end or lens, the polymeric composition in contact with the sample solution within the chamber and having a detectable response to acid concentrations within the range of from about 0.1 Molar to about 16 Molar, a measurer for the response of the polymeric composition in contact with the sample solution, and a comparer of the measured response to predetermined standards whereby the acid molarity of the sample solution within the chamber can be determined. Preferably, a first lens is attached to the end of the fiber optic light source, the first lens adapted to collimate light from the fiber optic light source, and a second lens is attached to the end of the fiber optic collector for focusing the collimated light after transmission through the chamber. 10 figs.

Solubility of carbon dioxide in aqueous mixtures of alkanolamines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawodu, O.F.; Meisen, A.

1994-07-01

The solubility of CO[sub 2] in water + N-methyldiethanolamine + monoethanolamine (MDEA + MEA) and water + N-methyldiethanolamine + diethanolamine (MDEA + DEA) are reported at two compositions of 3.4 M MDEA + 0.8 M MEA or DEA and 2.1 M MDEA + 2.1 M MEA or DEA at temperatures from 70 to 180 C and CO[sub 2] partial pressures from 100 to 3,850 kPa. The solubility of CO[sub 2] in the blends decreased with an increase in temperature but increased with an increase in CO[sub 2] partial pressure. At low partial pressures of CO[sub 2] and the same totalmore » amine concentration, the equilibrium CO[sub 2] loadings were in the order MDEA + MEA > MDEA + DEA > MDEA. However, at high CO[sub 2] partial pressures, the equilibrium CO[sub 2] loadings in the MDEA solutions were higher than those of the MDEA + MEA and MDEA + DEA blends of equal molar strengths due to the stoichiometric loading limitations of MEA and DEA. The nonadditivity of the equilibrium loadings for single amine systems highlights the need for independent measurements on amine blends.« less

Root canal configurations of third molar teeth. A comparison with first and second molars in the Turkish population.

PubMed

Sert, Semih; Sahinkesen, Güneş; Topçu, Fulya T; Eroğlu, Seyda E; Oktay, Elif A

2011-12-01

The purpose of the current study was to determine the similarities of maxillary and mandibular third molars with the other molar teeth. A total of 2016 extracted maxillary and mandibular permanent teeth were evaluated. The teeth were divided into six groups. The teeth were stored in 5% nitric acid solution for 7 days, then placed in increasing concentrations of ethyl alcohol. The teeth were rendered transparent by immersion in xylene solution for 4 days until complete transparency was achieved. Three roots were present in 93.0% of the maxillary molars, and 91.3% of the second molars. Among the maxillary third molars, 35.5% were single-rooted and 24.9% of the mandibular third molars had single roots. Double roots were present in 69.2% of the mandibular third molars, and 5.4% had three roots. Four new root canal configurations were encountered in this study. The root canal configurations of the mandibular and maxillary teeth showed similarities with the results of other studies performed in different populations. © 2010 The Authors. Australian Endodontic Journal © 2010 Australian Society of Endodontology.

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2013 CFR

2013-07-01

... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2012 CFR

2012-07-01

... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2014 CFR

2014-07-01

... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

Equations for calculating hydrogeochemical reactions of minerals and gases such as CO2 at high pressures and temperatures

USGS Publications Warehouse

Appelo, C.A.J.; Parkhurst, David L.; Post, V.E.A.

2014-01-01

Calculating the solubility of gases and minerals at the high pressures of carbon capture and storage in geological reservoirs requires an accurate description of the molar volumes of aqueous species and the fugacity coefficients of gases. Existing methods for calculating the molar volumes of aqueous species are limited to a specific concentration matrix (often seawater), have been fit for a limited temperature (below 60 °C) or pressure range, apply only at infinite dilution, or are defined for salts instead of individual ions. A more general and reliable calculation of apparent molar volumes of single ions is presented, based on a modified Redlich–Rosenfeld equation. The modifications consist of (1) using the Born equation to calculate the temperature dependence of the intrinsic volumes, following Helgeson–Kirkham–Flowers (HKF), but with Bradley and Pitzer’s expression for the dielectric permittivity of water, (2) using the pressure dependence of the extended Debye–Hückel equation to constrain the limiting slope of the molar volume with ionic strength, and (3) adopting the convention that the proton has zero volume at all ionic strengths, temperatures and pressures. The modifications substantially reduce the number of fitting parameters, while maintaining or even extending the range of temperature and pressure over which molar volumes can be accurately estimated. The coefficients in the HKF-modified-Redlich–Rosenfeld equation were fitted by least-squares on measured solution densities.The limiting volume and attraction factor in the Van der Waals equation of state can be estimated with the Peng–Robinson approach from the critical temperature, pressure, and acentric factor of a gas. The Van der Waals equation can then be used to determine the fugacity coefficients for pure gases and gases in a mixture, and the solubility of the gas can be calculated from the fugacity, the molar volume in aqueous solution, and the equilibrium constant. The coefficients for the Peng–Robinson equations are readily available in the literature.The required equations have been implemented in PHREEQC, version 3, and the parameters for calculating the partial molar volumes and fugacity coefficients have been added to the databases that are distributed with PHREEQC. The ease of use and power of the formulation are illustrated by calculating the solubility of CO2 at high pressures and temperatures, and comparing with well-known examples from the geochemical literature. The equations and parameterizations are suitable for wide application in hydrogeochemical systems, especially in the field of carbon capture and storage.

Equations for calculating hydrogeochemical reactions of minerals and gases such as CO2 at high pressures and temperatures

NASA Astrophysics Data System (ADS)

Appelo, C. A. J.; Parkhurst, D. L.; Post, V. E. A.

2014-01-01

Calculating the solubility of gases and minerals at the high pressures of carbon capture and storage in geological reservoirs requires an accurate description of the molar volumes of aqueous species and the fugacity coefficients of gases. Existing methods for calculating the molar volumes of aqueous species are limited to a specific concentration matrix (often seawater), have been fit for a limited temperature (below 60 °C) or pressure range, apply only at infinite dilution, or are defined for salts instead of individual ions. A more general and reliable calculation of apparent molar volumes of single ions is presented, based on a modified Redlich-Rosenfeld equation. The modifications consist of (1) using the Born equation to calculate the temperature dependence of the intrinsic volumes, following Helgeson-Kirkham-Flowers (HKF), but with Bradley and Pitzer’s expression for the dielectric permittivity of water, (2) using the pressure dependence of the extended Debye-Hückel equation to constrain the limiting slope of the molar volume with ionic strength, and (3) adopting the convention that the proton has zero volume at all ionic strengths, temperatures and pressures. The modifications substantially reduce the number of fitting parameters, while maintaining or even extending the range of temperature and pressure over which molar volumes can be accurately estimated. The coefficients in the HKF-modified-Redlich-Rosenfeld equation were fitted by least-squares on measured solution densities. The limiting volume and attraction factor in the Van der Waals equation of state can be estimated with the Peng-Robinson approach from the critical temperature, pressure, and acentric factor of a gas. The Van der Waals equation can then be used to determine the fugacity coefficients for pure gases and gases in a mixture, and the solubility of the gas can be calculated from the fugacity, the molar volume in aqueous solution, and the equilibrium constant. The coefficients for the Peng-Robinson equations are readily available in the literature. The required equations have been implemented in PHREEQC, version 3, and the parameters for calculating the partial molar volumes and fugacity coefficients have been added to the databases that are distributed with PHREEQC. The ease of use and power of the formulation are illustrated by calculating the solubility of CO2 at high pressures and temperatures, and comparing with well-known examples from the geochemical literature. The equations and parameterizations are suitable for wide application in hydrogeochemical systems, especially in the field of carbon capture and storage.

Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.

PubMed

Imai, Takashi; Kovalenko, Andriy; Hirata, Fumio

2005-04-14

The three-dimensional reference interaction site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. For the native structure of some proteins, the partial molar volume is decomposed into geometric and hydration contributions using the 3D-RISM theory combined with the geometric volume calculation. The hydration contributions are correlated with the surface properties of the protein. The thermal volume, which is the volume of voids around the protein induced by the thermal fluctuation of water molecules, is directly proportional to the accessible surface area of the protein. The interaction volume, which is the contribution of electrostatic interactions between the protein and water molecules, is apparently governed by the charged atomic groups on the protein surface. The polar atomic groups do not make any contribution to the interaction volume. The volume differences between low- and high-pressure structures of lysozyme are also analyzed by the present method.

Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

PubMed

Clegg, S L; Wexler, A S

2011-04-21

A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

Utility of p57 immunohistochemistry in differentiating between complete mole, partial mole & non-molar or hydropic abortus.

PubMed

Samadder, Abhimanyu; Kar, Rakhee

2017-01-01

There is considerable inter-observer variability in the diagnosis of molar pregnancies by histomorphological examination of products of conception (POC). The p57KIP2 gene is paternally imprinted and expressed from the maternal allele. On immunohistochemistry (IHC) with p57, complete mole (CM) shows absent staining whereas hydropic abortus (HA) and partial mole (PM) show positive staining. This study was undertaken to evaluate the role of p57 IHC along with histomorphology in differentiating between CM, PM and non-molar or HA. This was a cross-sectional study over a period of three and a half years on archival material. Detailed histomorphological review along with p57 IHC was carried out in 28 diagnosed cases (23 CM, 4 PM and 1 molar pregnancy not categorized) and 25 controls of four normal placentas and 21 POC (8 non-hydropic and 13 HA). In 14.8 per cent (4/27) cases, there was discordance in accurate subtyping of molar pregnancy. One case of CM showed inconsistent IHC pattern. In 15.4 per cent (2/13) HA, molar pregnancy was final diagnosis. After final review, there were 25 CM, five PM, 22 non-molar controls including 10 HA and one not assigned (PM/HA). IHC with p57 was negative in 96 per cent CM and positive in 100 and 95 per cent PM and non-molar controls, respectively. This study showed that negative p57KIP2 immunostaining reliably identified CM and could be used in association with the histological findings to distinguish CM from its mimics.

The influence of surface state and saturation state on the dissolution kinetics of biogenic aragonite in seawater

USGS Publications Warehouse

Acker, James G.; Byrne, R.H.

1989-01-01

Uses several realistic partial molar volume changes (??V) for aragonite dissolution in seawater. Indicates that the molar volume change for aragonite dissolution is within the bounds -37 cm 3/mole ?????V ??? -39.5 cm3/mole. -from Authors

Unfolding and refolding details of lysozyme in the presence of β-casein micelles.

PubMed

Wu, Fu-Gen; Luo, Jun-Jie; Yu, Zhi-Wu

2011-02-28

In this work, we selected a small globular protein, lysozyme, to study how it unfolds and refolds in the presence of micelles composed of the unstructured β-casein proteins by using microcalorimetry and circular dichroism spectroscopy. It was found that a partially unfolded structure of lysozyme starts to form when the β-casein/lysozyme molar ratio is above 0.7, and the structure forms exclusively when the β-casein/lysozyme molar ratio is above 1.6. This partially unfolded state of lysozyme loses most of its tertiary structure and after heating, the denatured lysozyme molecules are trapped in the charged coatings of β-casein micelles and cannot refold upon cooling. The thus obtained protein complex can be viewed as a kind of special polyelectrolyte complex micelle. The net charge ratios of the two proteins and the ionic strength of the dispersions can significantly modulate the electrostatic and hydrophobic interactions between the two proteins. Our present work may have implications for the nanoparticle protein engineering therapy in the biomedicine field and may provide a better understanding of the principles governing the protein-protein interactions. Besides, the heating-cooling-reheating procedure employed in this work can also be used to study the unfolding and refolding details of the target protein in other protein-protein, protein-polymer and protein-small solute systems.

Distal cervical caries in the mandibular second molar: an indication for the prophylactic removal of third molar teeth? Update.

PubMed

McArdle, Louis W; McDonald, Fraser; Jones, Judith

2014-02-01

In 2005 we reported the clinical findings of 100 patients who had mandibular third molars removed because of distal cervical caries in the mandibular second molar. The aim of this follow-up study was to find out whether the findings in a new group of patients corroborate those of our previous study. We report on the clinical features of 239 patients (mean (SD) age 32.1 (7.85) years, range 20-65) who had 288 mandibular third molars removed because of distal cervical caries in the second molar. Patients had better dental health than average, and 67% had a DMF (decayed, missing, or filled) score of 5 or less. In 89% of third molars the mesial angulation was between 40° and 80°. Distal cervical caries in second molars is a late complication of third molar retention. The prophylactic removal of a partially erupted mesioangular third molar will prevent distal cervical caries forming in the second molar tooth. Copyright © 2013 The British Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

Growth of antimony doped P-type zinc oxide nanowires for optoelectronics

DOEpatents

Wang, Zhong Lin; Pradel, Ken

2016-09-27

In a method of growing p-type nanowires, a nanowire growth solution of zinc nitrate (Zn(NO.sub.3).sub.2), hexamethylenetetramine (HMTA) and polyethylenemine (800 M.sub.w PEI) is prepared. A dopant solution to the growth solution, the dopant solution including an equal molar ration of sodium hydroxide (NaOH), glycolic acid (C.sub.2H.sub.4O.sub.3) and antimony acetate (Sb(CH.sub.3COO).sub.3) in water is prepared. The dopant solution and the growth solution combine to generate a resulting solution that includes antimony to zinc in a ratio of between 0.2% molar to 2.0% molar, the resulting solution having a top surface. An ammonia solution is added to the resulting solution. A ZnO seed layer is applied to a substrate and the substrate is placed into the top surface of the resulting solution with the ZnO seed layer facing downwardly for a predetermined time until Sb-doped ZnO nanowires having a length of at least 5 .mu.m have grown from the ZnO seed layer.

Thermal and volumetric properties of methanol-hexamethylphosphortriamide mixtures under standard conditions

NASA Astrophysics Data System (ADS)

Batov, D. V.; Kustov, A. V.; Antonova, O. A.; Smirnova, N. L.

2017-02-01

Enthalpic and volumetric characteristics of mixing in a methanol (MeOH)-hexamethylphosphortriamide (HMPT, 2) mixture are studied. Based on an analysis of concentration changes in the obtained data and the calculated partial molar characteristics, it is shown that at 0.2 molar fractions > x 2 > 0.7 molar fractions, the variation in the composition of the mixture slightly alters the character of intermolecular interactions characteristic of pure components. It is found that MeOH-HMPT mixtures experience most changes in intermolecular interaction and structure within the range of 0.2-0.7 molar fractions of HMPT.

The Partial Molar Volume and Compressibility of the FeO Component in Model Basalts (Mixed CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6 Liquids) at 0 GPa: evidence of Fe2+ in 6-fold coordination

NASA Astrophysics Data System (ADS)

Guo, X.; Lange, R. A.; Ai, Y.

2010-12-01

FeO is an important component in magmatic liquids and yet its partial molar volume at one bar is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Moreover, there is growing evidence from spectroscopic studies that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and it is expected that the partial molar volume and compressibility of the FeO component will vary accordingly. We have conducted both density and relaxed sound speed measurements on four liquids in the An-Di-Hd (CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6) system: (1) Di-Hd (50:50), (2) An-Hd (50:50), (3) An-Di-Hd (33:33:33) and (4) Hd (100). Densities were measured between 1573 and 1838 K at one bar with the double-bob Archimedean method using molybdenum bobs and crucibles in a reducing gas (1%CO-99%Ar) environment. The sound speeds were measured under similar conditions with a frequency-sweep acoustic interferometer, and used to calculate isothermal compressibility. All the density data for the three multi-component (model basalt) liquids were combined with density data on SiO2-Al2O3-CaO-MgO-K2O-Na2O liquids (Lange, 1997) in a fit to a linear volume equation; the results lead to a partial molar volume (±1σ) for FeO =11.7 ± 0.3(±1σ) cm3/mol at 1723 K. This value is similar to that for crystalline FeO at 298 K (halite structure; 12.06 cm3/mol), which suggests an average Fe2+ coordination of ~6 in these model basalt compositions. In contrast, the fitted partial molar volume of FeO in pure hedenbergite liquid is 14.6 ± 0.3 at 1723 K, which is consistent with an average Fe2+ coordination of 4.3 derived from EXAFS spectroscopy (Rossano, 2000). Similarly, all the compressibility data for the three multi-component liquids were combined with compressibility data on SiO2-Al2O3-CaO-MgO liquids (Ai and Lange, 2008) in a fit to an ideal mixing model for melt compressibility; the results lead to a partial molar compressibility (±1σ) for FeO = 2.4 (± 0.3) 10-2 GPa-1 at 1723 K. In contrast, the compressibility of FeO in pure hedenbergite liquid is more than twice as large: 6.3 (± 0.2) 10-2 GPa-1. When these results are combined with density and sound speed data on CaO-FeO-SiO2 liquids at one bar (Guo et al., 2009), a systematic and linear variation between the partial molar volume and compressibility of the FeO component is obtained, which appears to track changes in the average Fe2+ coordination in these liquids. Therefore, the three most important conclusions of this study are: (1) ideal mixing of volume and compressibility does not occur for all FeO-bearing magmatic liquids, owing to changes in Fe2+ coordination, (2) the partial molar volume and compressibility of FeO varies linearly and systematically with Fe2+ coordination, and (3) ideal mixing of volume and compressibility does occur among the three mixed An-Di-Hd liquids, presumably because of a common, average Fe2+ coordination of ~6.

Theory of chromatography of partially cyclic polymers: Tadpole-type and manacle-type macromolecules.

PubMed

Vakhrushev, Andrey V; Gorbunov, Alexei A

2016-02-12

A theory of chromatography is developed for partially cyclic polymers of tadpole- and manacle-shaped topological structures. We present exact equations for the distribution coefficient K at different adsorption interactions; simpler approximate formulae are also derived, relevant to the conditions of size-exclusion, adsorption, and critical chromatography. Theoretical chromatograms of heterogeneous partially cyclic polymers are simulated, and conditions for good separation by topology are predicted. According to the theory, an effective SEC-radius of tadpoles and manacles is mostly determined by the molar mass M, and by the linear-cyclic composition. In the interactive chromatography, the effect of molecular topology on the retention becomes significant. At the critical interaction point, partial dependences K(Mlin) and K(Mring) are qualitatively different: while being almost independent of Mlin, K increases with Mring. This behavior could be realized in critical chromatography-for separation of partially cyclic polymers by the number and molar mass of cyclic elements. Copyright © 2015 Elsevier B.V. All rights reserved.

[Determination of solubility parameters for asymmetrical dicationic ionic liquids by inverse gas chromatography].

PubMed

Wang, Jun; Yang, Xuzhao; Wu, Jinchao; Song, Hao; Zou, Wenyuan

2015-12-01

Inverse gas chromatographic (IGC) technology was used to determine the solubility parameters of three asymmetrical dicationic ionic liquids ([ PyC5Pi] [ NTf2]2, [MpC5Pi] [NTf2]2 and [PyC6Pi] [NTf2]2) at 343.15-363.15 K. Five alkanes were applied as test probes including octane (n-C8) , decane (n-C10), dodecane (n-C12), tetradecane (n-C14), hexadecane (n-C16). Some thermodynamic parameters were obtained by IGC data analysis, such as the specific retention volumes of the solvents (V0(g)), the molar enthalpies of sorption (ΔHs(1)), the partial molar enthalpies of mixing at infinite dilution (ΔH∞91)), the molar enthalpies of vaporization (ΔH)v)), the activity coefficients at infinite dilution (Ω∞(1)), and Flory-Huggins interaction parameters (χ∞(12)) between ionic liquids and probes. The solubility parameters (δ2) of the three dicationic ionic liquids at room temperature (298.15 K) were 28.52-32.66 (J x cm(-3)) ½. The solubility parameters (δ2) of cationic structure with 4-methyl morpholine are bigger than those of the cationic structure with pyridine. The bigger the solubility parameter (δ2) is, the more the carbon numbers of linking group of the ionic liquids are. The results are of great importance to the study of the solution behavior and the applications of ionic liquid.

Group additivity calculations of the thermodynamic properties of unfolded proteins in aqueous solution: a critical comparison of peptide-based and HKF models.

PubMed

Hakin, A W; Hedwig, G R

2001-02-15

A recent paper in this journal [Amend and Helgeson, Biophys. Chem. 84 (2000) 105] presented a new group additivity model to calculate various thermodynamic properties of unfolded proteins in aqueous solution. The parameters given for the revised Helgeson-Kirkham-Flowers (HKF) equations of state for all the constituent groups of unfolded proteins can be used, in principle, to calculate the partial molar heat capacity, C(o)p.2, and volume, V2(0), at infinite dilution of any polypeptide. Calculations of the values of C(o)p.2 and V2(0) for several polypeptides have been carried out to test the predictive utility of the HKF group additivity model. The results obtained are in very poor agreement with experimental data, and also with results calculated using a peptide-based group additivity model. A critical assessment of these two additivity models is presented.

IN VITRO INTERACTIONS BETWEEN LACTIC ACID SOLUTION AND ART GLASS-IONOMER CEMENTS

PubMed Central

Wang, Linda; Cefaly, Daniela Francisca Gigo; dos Santos, Janaína Lima; dos Santos, Jean Rodrigo; Lauris, José Roberto Pereira; Mondelli, Rafael Francisco Lia; Atta, Maria Teresa

2009-01-01

Objectives: Production of acids such as lactic acid contributes to establish a cariogenic environment that leads to dental substrate demineralization. Fluoride plays an important role in this case and, as fluoride-releasing materials, glass-ionomer cements are expected to contribute to minimize deleterious reactions. This study evaluated interactions of glass-ionomer cements used in atraumatic restorative treatment (ART-GICs) with an aqueous lactic acid solution, testing the null hypotheses that no changes occur in the pH of the solution or on the surface roughness and mass of the ART-GICs when exposed to lactic acid solution over a 6-week period. Material and Methods: Ketac Molar, Fuji IX, Vitro Molar and Magic Glass were tested, and compared to Filtek Z250 and Ketac Fil Plus as control groups. Six specimens of each material were made according to manufacturers' instructions. The pH of the solution and roughness and mass changes of each specimen were determined over 6 weeks. Each specimen was individually stored in 2 mL of 0.02 M lactic acid solution for 1 week, renewing the solution every week. pH of solution and mass of the specimens were monitored weekly, and surface roughness of the specimens was assessed before and at the end of the 6-week acid challenge. pH and mass data were analyzed statistically by repeated measures using one-way ANOVA and Tukey's post-hoc tests for each material. Paired t-tests were used for roughness analysis. Tukey's post-hoc tests were applied to verify differences of final roughness among the materials. Significance level was set at 5%. Results: The null hypotheses were partially rejected. All materials were able to increase the pH of the lactic acid solution and presented rougher surfaces after immersion, while mass change was minimal and generally not statistically significant. Conclusions: These findings can be helpful to predict the performance of these materials under clinical conditions. A protective action against the carious process with significant surface damage due to erosion may be expected. PMID:19668984

Molecular analysis of 16S rRNA genes identifies potentially periodontal pathogenic bacteria and archaea in the plaque of partially erupted third molars.

PubMed

Mansfield, J M; Campbell, J H; Bhandari, A R; Jesionowski, A M; Vickerman, M M

2012-07-01

Small subunit rRNA sequencing and phylogenetic analysis were used to identify cultivable and uncultivable microorganisms present in the dental plaque of symptomatic and asymptomatic partially erupted third molars to determine the prevalence of putative periodontal pathogens in pericoronal sites. Template DNA prepared from subgingival plaque collected from partially erupted symptomatic and asymptomatic mandibular third molars and healthy incisors was used in polymerase chain reaction with broad-range oligonucleotide primers to amplify 16S rRNA bacterial and archaeal genes. Amplicons were cloned, sequenced, and compared with known nucleotide sequences in online databases to identify the microorganisms present. Two thousand three hundred two clones from the plaque of 12 patients carried bacterial sequences from 63 genera belonging to 11 phyla, including members of the uncultivable TM7, SR1, and Chloroflexi, and difficult-to-cultivate Synergistetes and Spirochaetes. Dialister invisus, Filifactor alocis, Fusobacterium nucleatum, Porphyromonas endodontalis, Prevotella denticola, Tannerella forsythia, and Treponema denticola, which have been associated with periodontal disease, were found in significantly greater abundance in pericoronal compared with incisor sites. Dialister invisus and F nucleatum were found in greater abundance in sites exhibiting clinical symptoms. The archaeal species, Methanobrevibacter oralis, which has been associated with severe periodontitis, was found in 3 symptomatic patients. These findings have provided new insights into the complex microbiota of pericoronitis. Several bacterial and archaeal species implicated in periodontal disease were recovered in greater incidence and abundance from the plaque of partially erupted third molars compared with incisors, supporting the hypothesis that the pericoronal region may provide a favored niche for periodontal pathogens in otherwise healthy mouths. Copyright © 2012 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Continuous-flow free acid monitoring method and system

DOEpatents

Strain, J.E.; Ross, H.H.

1980-01-11

A free acid monitoring method and apparatus is provided for continuously measuring the excess acid present in a process stream. The disclosed monitoring system and method is based on the relationship of the partial pressure ratio of water and acid in equilibrium with an acid solution at constant temperature. A portion of the process stream is pumped into and flows through the monitor under the influence of gravity and back to the process stream. A continuous flowing sample is vaporized at a constant temperature and the vapor is subsequently condensed. Conductivity measurements of the condensate produces a nonlinear response function from which the free acid molarity of the sample process stream is determined.

Continuous-flow free acid monitoring method and system

DOEpatents

Strain, James E.; Ross, Harley H.

1981-01-01

A free acid monitoring method and apparatus is provided for continuously measuring the excess acid present in a process stream. The disclosed monitoring system and method is based on the relationship of the partial pressure ratio of water and acid in equilibrium with an acid solution at constant temperature. A portion of the process stream is pumped into and flows through the monitor under the influence of gravity and back to the process stream. A continuous flowing sample is vaporized at a constant temperature and the vapor is subsequently condensed. Conductivity measurements of the condensate produces a nonlinear response function from which the free acid molarity of the sample process stream is determined.

Influence of immediate post-extraction socket irrigation on development of alveolar osteitis after mandibular third molar removal: a prospective split-mouth study, preliminary report.

PubMed

Tolstunov, L

2012-12-01

The aim of this prospective comparative split-mouth study was to evaluate the role of socket irrigation with a normal saline solution routinely used at the end of extraction on the development of alveolar osteitis (AO) after removal of impacted mandibular third molars (MTMs). Thirty-five patients who satisfied the inclusion criteria were involved in the study and underwent extraction of four third-molars. To be included in the study, the mandibular third molars had to be impacted (partial or full bone) and require an osteotomy for extraction with use of a motorised drill. All surgeries were done under local anaesthesia or IV sedation. This was a prospective split-mouth study. The patient's left (assistant) side was a control side; it had a standard extraction technique of an impacted mandibular third molar that required a buccal full-thickness flap, buccal trough (osteotomy) and extraction of the tooth (with or without splitting the tooth into segments), followed by a traditional end-of-surgery debridement protocol consisting of a gentle curettage, bone filing of the socket walls, socket irrigation with approximately 5 ml of sterile normal saline solution and socket suctioning. The patient's right (operator) side was an experimental side; it also had a standard extraction technique of an impacted mandibular third molar at the beginning with a flap and osteotomy, but it was followed by a modified end-of-surgery protocol. It consisted of gentle curettage but the socket was not irrigated and not suctioned. It was simply left to bleed. The gauze was placed on top of the socket for haemostasis on both sides and the patient was asked to bite. On both sides, the buccal flap was positioned back without the suture. All patients were seen for a follow-up appointment four to seven days after the surgery to assess healing and check for symptoms and signs of alveolar osteitis, if present, on both irrigated and non-irrigated sides. This study followed the ethical guidelines of human subjects based on the Helsinki Declaration. Thirty-five patients or 70 sockets were evaluated. Eleven out of 35 patients in the study were subjected to a dry socket syndrome (31.4%). The higher number of AO was likely related to specifics of MTM selection in this study - only impacted (partial and full bone) MTMs were chosen. Among eleven patients with AO, two patients had a bilateral condition. By excluding two patients with bilateral dry sockets from the study, there were nine patients (18 extraction sites) with unilateral AO in the study. Seven out of nine patients (14 extraction sites) developed unilateral dry socket on the control (irrigated) side (77.8%) and only two (four extraction sites) on the experimental (non-irrigated) side (22.2%). Therefore, in this study there were 3.5 times more patients (extraction sites) with dry socket syndrome on the irrigated (control) side than patients (extraction sites) in the non-irrigated (experimental) side. A noticeable difference of dry socket syndromes (77.8% on the irrigated versus 22.2% on non-irrigated side) was demonstrated between the traditional extraction protocol versus modified approach without the end-of-surgery irrigation. The study demonstrated that the post-extraction socket bleeding is very important for the proper uncomplicated socket healing. If it's not washed away with irrigation solution at the end of extraction, the normal blood clot has a higher likelihood to form, and therefore, can potentially lead to an uncomplicated socket healing without development of alveolar osteitis. Socket bleeding at the extraction site creates a favourable environment for the formation of a blood clot - a protective dressing - necessary for a favourable osseous healing of the socket.

Structural properties of aqueous metoprolol succinate solutions. Density, viscosity, and refractive index at 311 K

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Kalyankar, T. M.

2013-06-01

Density, viscosity and refractive index of aqueous solutions of metoprolol succinate of different concentrations (0.005-0.05 mol dm-3) were measured at 38°C. Apparent molar volume of resultant solutions were calculated and fitted to the Masson's equation and apparent molar volume at infinite dilution was determined graphically. Viscosity data of solutions has been fitted to the Jone-Dole equation and viscosity A- and B-coefficients were determined graphically. Physicochemical data obtained were discussed in terms of molecular interactions.

Modeling solubility of CO2/hydrocarbon gas in ionic liquid ([emim][FAP]) using Aspen Plus simulations.

PubMed

Bagchi, Bishwadeep; Sati, Sushmita; Shilapuram, Vidyasagar

2017-08-01

The Peng-Robinson equation of state with quadratic van der Waals (vdW) mixing rule model was chosen to perform the thermodynamic calculations in Flash3 column of Aspen Plus to predict the solubility of CO 2 or any one of the hydrocarbons (HCs) among methane, ethane, propane, and butane in an ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]). Bubble point pressure, solubility, bubble point temperature, fugacity, and partial molar volume at infinite dilution were obtained from the simulations, and enthalpy of absorption, Gibbs free energy of solvation, and entropy change of absorption were estimated by thermodynamic relations. Results show that carbon chain length has a significant effect on the bubble point pressure. Methane has the highest bubble point pressure among all the considered HCs and CO 2 . The bubble point pressure and fugacity variation with temperature is different for CO 2 as compared to HCs for mole fractions above 0.2. Two different profiles are noticed for enthalpy of absorption when plotted as a function of mole fraction of gas soluble in IL. Partial molar volume of CO 2 decreases with increase in temperature in [emim][FAP], while it is increased for HCs. Bubble point temperature decreases with increase in the mole fraction of the solute. Entropy of solvation increases with temperature till a particular value followed by a decrease with further increase in temperature. Gibbs free energy change of solvation showed that the process of solubility was spontaneous.

Determination of thermodynamic properties of isotactic poly(1-butene) at infinite dilution using density and inverse gas chromatography.

PubMed

Kozłowska, Marta Karolina; Domańska, Urszula; Lempert, Małgorzata; Rogalski, Marek

2005-03-18

The partial molar volumes, V1(M), and the molar volume of isotactic crystalline low-molecular-weight poly(1-butene), iPBu-1, V1, have been calculated from the measured density of {iPBu-1 + solvent (n-hexane, n-heptane, n-nonane, n-decane, p-xylene, cyclohexane and chloroform)} systems. Some of the thermodynamic quantities were also obtained for the iPBu-1 with eight hydrocarbons (n-octane, n-decane, n-undecane, n-dodecane, n-tridecane, o-xylene, m-xylene, p-xylene) by the method of inverse gas chromatography at various temperatures. The weight fraction activity coefficients of the solvent at infinite dilution, omega2(infinity) and the Flory-Huggins thermodynamic interaction parameters, chi21(infinity), between polymer and solvents were determined. The partial molar free energy, deltaG2(infinity), the partial molar heat of mixing, deltaH2(infinity), at infinite dilution and the polymer solubility parameter, delta1, were calculated. Additionally, the (solid + liquid) binary mixtures equilibria, SLE, of iPBu-1 with three hydrocarbons (n-octane, n-decane and m-xylene) were studied by a dynamic method. By performing these experiments over a large concentration range, the T-x phase diagrams of the polymer-solvent systems were constructed. The excess Gibbs energy models were used to describe the nonideal behaviour of the liquid phase. The omega2(infinity) were determined from the solubility measurements and were predicted by using the UNIFAC FV model.

Glass Transition Temperature of Saccharide Aqueous Solutions Estimated with the Free Volume/Percolation Model.

PubMed

Constantin, Julian Gelman; Schneider, Matthias; Corti, Horacio R

2016-06-09

The glass transition temperature of trehalose, sucrose, glucose, and fructose aqueous solutions has been predicted as a function of the water content by using the free volume/percolation model (FVPM). This model only requires the molar volume of water in the liquid and supercooled regimes, the molar volumes of the hypothetical pure liquid sugars at temperatures below their pure glass transition temperatures, and the molar volumes of the mixtures at the glass transition temperature. The model is simplified by assuming that the excess thermal expansion coefficient is negligible for saccharide-water mixtures, and this ideal FVPM becomes identical to the Gordon-Taylor model. It was found that the behavior of the water molar volume in trehalose-water mixtures at low temperatures can be obtained by assuming that the FVPM holds for this mixture. The temperature dependence of the water molar volume in the supercooled region of interest seems to be compatible with the recent hypothesis on the existence of two structure of liquid water, being the high density liquid water the state of water in the sugar solutions. The idealized FVPM describes the measured glass transition temperature of sucrose, glucose, and fructose aqueous solutions, with much better accuracy than both the Gordon-Taylor model based on an empirical kGT constant dependent on the saccharide glass transition temperature and the Couchman-Karasz model using experimental heat capacity changes of the components at the glass transition temperature. Thus, FVPM seems to be an excellent tool to predict the glass transition temperature of other aqueous saccharides and polyols solutions by resorting to volumetric information easily available.

[Surgery of lower third molars and lesions of the lingual nerve].

PubMed

Chiapasco, M; Pedrinazzi, M; Motta, J; Crescentini, M; Ramundo, G

1996-11-01

The authors describe a technical expedient applied during the removal of totally or partially impacted lower third molars, in order to prevent lingual nerve damage. EXPERIMENTAL ASSAY: Retrospective study. The sample includes 1835 extractions of totally or partially impacted lower third molars, performed on 1030 patients, 493 males and 537 females, aging between 12 and 72 years. All the operations were carried out under local anaesthesia with standardization of the surgical protocol. A mucoperiosteal paramarginal flap was used in case of germectomy, whereas a mucoperiosteal marginal flap with mesial releasing incision was used in case of fully mature teeth. Ostectomy and tooth sectioning were performed using a round and fissure bur respectively, assembled on a straight low-speed handpiece and under irrigation with sterile saline. The authors reported only one case of transient lingual nerve paresthesia (0.05%) which occurred in a 19-years old female presenting a totally impacted third molar mesial-lingual inclination. Symptoms disappeared spontaneously one week postoperatively. Therefore the overall incidence of permanent nerve damage was equal to 0%. The data reported in literature show a lingual nerve lesion incidence ranging between 0% and 22%. With this simple surgical expedient the incidence of permanent lingual damage was 0%. Thus, it is the authors' opinion that this simple expedient should be applied in all cases of impacted third molar removal.

Ultrasonographic signs of partial hydatidiform mole.

PubMed

Muminhodzic, Lejla; Bogdanovic, Gordana

2013-01-01

This study aimed at investigating ultrasonographic features of partial hydatidiform mole to establish a proper diagnosis. This was a retrospective study of 70 pregnancies which were divided into two groups: group I--35 pregnant women with a molar pregnancy diagnosed in the first trimester; group II--35 pregnant women with physiological pregnancy spontaneously aborted in the first trimester caused by the cervical insufficiency. Evacuation of the uterus by uterine suction or curettage and pathomorphological analysis ofovular tissue were conducted in both groups. Ultrasonographic parameters were analyzed. Theca lutein cysts and hydropic degeneration of villi, enlarged uterus and empty gestational sac, intrauterine hematoma significantly prevailed in the pregnant women with the molar pregnancies. Diagnosis of the partial hydatidiform mole in the first trimester is likely though not enough reliable. Thereby, additional diagnostic methods might be important as well to confirm an early diagnosis of mole.

REMOVAL OF CHLORIDE FROM AQUEOUS SOLUTIONS

DOEpatents

Hyman, M.L.; Savolainen, J.E.

1960-01-01

A method is given for dissolving reactor fuel elements in which the uranium is associated with a relatively inert chromium-containing alloy such as stainless steel. An aqueous mixture of acids comprising 2 to 2.5 molar hydrochloric acid and 4 to 8 molar nitric acid is employed in dissolving the fuel element. In order io reduce corrosion in subsequent processing of the resulting solution, chloride values are removed from the solution by contacting it with concentrated nitric acid at an elevated temperature.

Do osmotic forces play a role in the uptake of water by human skin?

PubMed

van Kemenade, Patricia M; Houben, Mark M J; Huyghe, Jacques M; Douven, Lucien F A

2004-05-01

To describe the water and ion transport through the skin under different conditions, we developed a three-component mixture model. This model has proven to describe the transient change in transepidermal water loss (TEWL) after a change in relative humidity and the result of damage to the skin. Osmotic forces arc present in the model. To assess the influence of osmotic forces on the water uptake of the skin, we investigated transient TEWL values after 1 h application of salt solutions of different molarities (0, 1, and 4 M NaCl). Filters saturated with 0, 1, and 4 M NaCl solution were applied for 1 h under occlusion. TEWL was measured 50-90 min after removal of the solution. The transient water loss curves were fit with an exponential function. The area under the fitted curve was calculated and regarded as a measure for the amount of extra water absorbed in the skin. For all molarities, TEWL is increased immediately after removal of the solution. In time, this increase decays until pre-application values are reached again. The rate of decrease differs significantly for all three molarities. Ninety-five per cent of the increase has been reversed after 30, 19, and 6 min for the 0, 1, and 4 M case, respectively. The amount of water absorbed differs significantly between the three molarities 7.3+/-2.0; 3.9+/-1.0; 2.0+/-0.5 g/m(2), respectively. In all cases, there was an increase in TEWL immediately after removal of the solution. The significant differences in decay time and amount of water absorbed between the three molarities indicate that osmotic forces do play an important role in the water uptake.

Interpretations of complications following third molar extraction.

PubMed

Schwartz-Arad, Devorah; Lipovsky, Anat; Pardo, Michal; Adut, Oren; Dolev, Eran

2017-11-21

Surgical removal of third molars is often associated with complications. The aim of the present study was to analyze the incidence of complications following extraction of third molars relative to the risk factors. This retrospective study included 463 patients who had mandibular third molar extraction (performed by a single surgeon, DSA) in the years 2001 to 2011. In total, 665 mandibular third molars were extracted. The average patient's age was 29 ± 11.30 years, median 26 years, and the patient age ranged from 13 to 75 years. Patients' records were obtained for medical/general data. The overall prevalence of postsurgical complications was 17%. Dry sockets showed the highest incidence (11.6%). Partially impacted teeth showed the highest incidence of complications (67.3%). Cigarette smoking correlated with increased complications and dry sockets, and complications were more prevalent on the left side (62.8%). Complications after mandibular third molar extraction increase with age, level of impaction, side of extraction, and cigarette smoking.

Impact of flavouring substances on the aggregation behaviour of dissolved barley β-glucans in a model beer.

PubMed

Kupetz, M; Sacher, B; Becker, T

2016-06-05

Structural polymers such as cereal β-glucan may cause various processing problems in beverage industry depending on concentration, molar size distribution and agglomeration behaviour. In this context, influences of the beer volatiles dodecanoic acid, octyl butanoate, ethyl decanoate and decyl acetate on molar mass and radii of barley β-glucan were investigated in ethanolic (4% w/w) model solution. After addition of 100mg/l ethyl decanoate and decyl acetate to the β-glucan solution, a wider-ranging molar mass distribution could be observed by means of asymmetric field-flow-fractionation. Due to agglomeration, average molar mass of β-glucan standard (MW=6.8×10(6)g/mol) increased by 2×10(6)g/mol (P<0.05) in solution containing decyl acetate. Furthermore, a significant growth (P<0.05) from 86 to 102 nm in gyration radius was measured. The obtained results elucidate the importance of fatty acid derived flavouring substance composition in beer regarding the aggregation behaviour of β-glucan. Copyright © 2016 Elsevier Ltd. All rights reserved.

Molecular dynamics simulations of aqueous solutions of ethanolamines.

PubMed

López-Rendón, Roberto; Mora, Marco A; Alejandre, José; Tuckerman, Mark E

2006-08-03

We report on molecular dynamics simulations performed at constant temperature and pressure to study ethanolamines as pure components and in aqueous solutions. A new geometric integration algorithm that preserves the correct phase space volume is employed to study molecules having up to three ethanol chains. The most stable geometry, rotational barriers, and atomic charges were obtained by ab initio calculations in the gas phase. The calculated dipole moments agree well with available experimental data. The most stable conformation, due to intramolecular hydrogen bonding interactions, has a ringlike structure in one of the ethanol chains, leading to high molecular stability. All molecular dynamics simulations were performed in the liquid phase. The interaction parameters are the same for the atoms in the ethanol chains, reducing the number of variables in the potential model. Intermolecular hydrogen bonding is also analyzed, and it is shown that water associates at low water mole fractions. The force field reproduced (within 1%) the experimental liquid densities at different temperatures of pure components and aqueous solutions at 313 K. The excess and partial molar volumes are analyzed as a function of ethanolamine concentration.

Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin

PubMed Central

Imai, Takashi; Ohyama, Shusaku; Kovalenko, Andriy; Hirata, Fumio

2007-01-01

The partial molar volume (PMV) change associated with the pressure-induced structural transition of ubiquitin is analyzed by the three-dimensional reference interaction site model (3D-RISM) theory of molecular solvation. The theory predicts that the PMV decreases upon the structural transition, which is consistent with the experimental observation. The volume decomposition analysis demonstrates that the PMV reduction is primarily caused by the decrease in the volume of structural voids in the protein, which is partially canceled by the volume expansion due to the hydration effects. It is found from further analysis that the PMV reduction is ascribed substantially to the penetration of water molecules into a specific part of the protein. Based on the thermodynamic relation, this result implies that the water penetration causes the pressure-induced structural transition. It supports the water penetration model of pressure denaturation of proteins proposed earlier. PMID:17660257

Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin.

PubMed

Imai, Takashi; Ohyama, Shusaku; Kovalenko, Andriy; Hirata, Fumio

2007-09-01

The partial molar volume (PMV) change associated with the pressure-induced structural transition of ubiquitin is analyzed by the three-dimensional reference interaction site model (3D-RISM) theory of molecular solvation. The theory predicts that the PMV decreases upon the structural transition, which is consistent with the experimental observation. The volume decomposition analysis demonstrates that the PMV reduction is primarily caused by the decrease in the volume of structural voids in the protein, which is partially canceled by the volume expansion due to the hydration effects. It is found from further analysis that the PMV reduction is ascribed substantially to the penetration of water molecules into a specific part of the protein. Based on the thermodynamic relation, this result implies that the water penetration causes the pressure-induced structural transition. It supports the water penetration model of pressure denaturation of proteins proposed earlier.

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

PubMed

Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

2014-06-05

Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.

Efficacy of orally administered prednisolone versus partial endodontic treatment on pain reduction in emergency care of acute irreversible pulpitis of mandibular molars: study protocol for a randomized controlled trial.

PubMed

Kérourédan, Olivia; Jallon, Léonard; Perez, Paul; Germain, Christine; Péli, Jean-François; Oriez, Dominique; Fricain, Jean-Christophe; Arrivé, Elise; Devillard, Raphaël

2017-03-28

Irreversible pulpitis is a highly painful inflammatory condition of the dental pulp which represents a common dental emergency. Recommended care is partial endodontic treatment. The dental literature reports major difficulties in achieving adequate analgesia to perform this emergency treatment, especially in the case of mandibular molars. In current practice, short-course, orally administered corticotherapy is used for the management of oral pain of inflammatory origin. The efficacy of intraosseous local steroid injections for irreversible pulpitis in mandibular molars has already been demonstrated but resulted in local comorbidities. Oral administration of short-course prednisolone is simple and safe but its efficacy to manage pain caused by irreversible pulpitis has not yet been demonstrated. This trial aims to evaluate the noninferiority of short-course, orally administered corticotherapy versus partial endodontic treatment for the emergency care of irreversible pulpitis in mandibular molars. This study is a noninferiority, open-label, randomized controlled clinical trial conducted at the Bordeaux University Hospital. One hundred and twenty subjects will be randomized in two 1:1 parallel arms: the intervention arm will receive one oral dose of prednisolone (1 mg/kg) during the emergency visit, followed by one morning dose each day for 3 days and the reference arm will receive partial endodontic treatment. Both groups will receive planned complete endodontic treatment 72 h after enrollment. The primary outcome is the proportion of patients with pain intensity below 5 on a Numeric Scale 24 h after the emergency visit. Secondary outcomes include comfort during care, the number of injected anesthetic cartridges when performing complete endodontic treatment, the number of antalgic drugs and the number of patients coming back for consultation after 72 h. This randomized trial will assess the ability of short-term corticotherapy to reduce pain in irreversible pulpitis as a simple and rapid alternative to partial endodontic treatment and to enable planning of endodontic treatment in optimal analgesic conditions. ClinicalTrials.gov, identifier: NCT02629042 . Registered on 7 December 2015. (Version n°1.1 28 July 2015).

Influence of pectins on the solubility and the molar mass distribution of dehydrogenative polymers (DHPs, lignin model compounds).

PubMed

Cathala, B; Monties, B

2001-07-19

Dehydrogenation polymers (DHPs, lignin model compounds) were synthesized in the presence of increasing pectin concentrations using two different methods. The first method ('Zutropfverfahren', ZT) consists in the slow adding of monomers whereas in the second method ('Zulaufverfahren', ZL) all the reactants are added simultaneously. DHPs solubility increases with the pectin concentration in the ZT experiments and remains stable in the ZL experiments. Covalent bonds between pectin and DHP are formed during ZT polymerization resulting in lignin carbohydrate complex (LCC) which keeps the unbound DHPs in solution by the formation of aggregate or micelle-like structures. In contrast LCC are not formed during the ZL process which behave like the DHP reference. The ZT DHP molar masses increase observed is attributed to the reactivity of the high molar mass polymer solubilized by the LCC whereas ZL higher molar mass polymers are precipitated out of the solution and cannot react further.

Analysis of experimental heats of dilution of aqueous solutions of NaBPh 4 by use of the mean spherical approximation and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

M'halla, Jalel; M'halla, Sondes; Wipff, Georges

2003-03-01

Calorimetric measurements of heats of dilution: QDC→0 =- nsφL,sexp, of aqueous solutions of NaBPh 4 are determined at 25 °C in the concentration range: 0

Occlusion and Temporomandibular Function among Subjects with Mandibular Distal Extension Removable Partial Dentures

PubMed Central

Creugers, N. H. J.; Witter, D. J.; Van 't Spijker, A.; Gerritsen, A. E.; Kreulen, C. M.

2010-01-01

Objective. To quantify effects on occlusion and temporomandibular function of mandibular distal extension removable partial dentures in shortened dental arches. Methods. Subjects wearing mandibular extension removable partial dentures (n = 25) were compared with subjects with shortened dental arches without extension (n = 74) and with subjects who had worn a mandibular extension removable partial denture in the past (n = 19). Subjects with complete dentitions (n = 72) were controls. Data were collected at baseline and at 3-, 6-, and 9-year observations. Results. Occlusal activity in terms of reported awareness of bruxism and occlusal tooth wear of lower anterior teeth did not differ significantly between the groups. In contrast, occlusal tooth wear of premolars in shortened dental arches with or without extension dentures was significantly higher than in the controls. Differences amongst groups with respect to signs and symptoms related to temporomandibular disorders were not found. Occlusal support of the dentures did not influence anterior spatial relationship. Occlusal contacts of the denture teeth decreased from 70% for second premolars via 50% for first molars, to 30% for second molars. Conclusions. Mandibular distal extension removable partial dentures in moderate shortened dental arches had no effects on occlusion and temporomandibular function. PMID:20671961

Ultrasound assisted cocrystallization from solution (USSC) containing a non-congruently soluble cocrystal component pair: Caffeine/maleic acid.

PubMed

Aher, Suyog; Dhumal, Ravindra; Mahadik, Kakasaheb; Paradkar, Anant; York, Peter

2010-12-23

Ultrasound assisted solution cocrystallization (USSC) has been studied using a non-congruently soluble pair of caffeine and maleic acid in methanol. USSC was compared with solvent cooling and slurry sonication using different molar ratios of caffeine:maleic acid (1:0.5, 1:1, 1:2, 1:3 and 1:3.5) in solution/slurry. Products were characterized by PXRD and Raman spectroscopy techniques. In USSC trials, the content of cocrystal in the product was observed to increase with increase in amount of maleic acid in solution. Only USSC offered pure caffeine/maleic acid 2:1 cocrystal product when caffeine:maleic acid; 1:3.5 molar ratio was taken in solution. Caffeine/maleic acid 1:1 cocrystal and maleic acid were not obtained in neither of the techniques. Products of solvent cooling and slurry sonication experiments were mixtures of caffeine and caffeine/maleic acid 2:1 cocrystal in varying amounts. In USSC, ultrasound application must have attained simultaneous supersaturation of cocrystal components in solution due to altered supersaturation conditions resulting in cocrystal formation. For this simultaneous attainment of supersaturation, molar ratio of cocrystal components in solution was identified as an important parameter while designing experiments for a non-congruently soluble pair having large solubility difference. Copyright © 2010 Elsevier B.V. All rights reserved.

Determination of gas-liquid partition coefficients of several organic solutes in trihexyl(tetradecyl)phosphonium bromide using capillary gas chromatography columns.

PubMed

Ronco, Nicolás R; Menestrina, Fiorella; Romero, Lílian M; Castells, Cecilia B

2017-06-09

In this paper, we report gas-liquid partition constants for thirty-five volatile organic solutes in the room temperature ionic liquid trihexyl(tetradecyl)phosphonium bromide measured by gas-liquid chromatography using capillary columns. The relative contribution of gas-liquid partition and interfacial adsorption to retention was evaluated through the use of columns with different the phase ratio. Four capillary columns with exactly known phase ratios were constructed and employed to measure the solute retention factors at four temperatures between 313.15 and 343.15K. The partition coefficients were calculated from the slopes of the linear regression between solute retention factors and the reciprocal of phase ratio at a given temperature according to the gas-liquid chromatographic theory. Gas-liquid interfacial adsorption was detected for a few solutes and it has been considered for the calculations of partition coefficient. Reliable solute's infinite dilution activity coefficients can be obtained when retention data are determined by a unique partitioning mechanism. The partial molar excess enthalpies at infinite dilution have been estimated from the dependence of experimental values of solute activity coefficients with the column temperature. A thorough discussion of the uncertainties of the experimental measurements and the main advantages of the use of capillary columns to acquire the aforementioned relevant thermodynamic information was performed. Copyright © 2017 Elsevier B.V. All rights reserved.

Network formation of nanofibrillated cellulose in solution blended poly(methyl methacrylate) composites.

PubMed

Littunen, Kuisma; Hippi, Ulla; Saarinen, Tapio; Seppälä, Jukka

2013-01-02

Composites of poly(methyl methacrylate) (PMMA) and nanofibrillated cellulose (NFC) were prepared by solution blending and further processed by injection and compression molding. To improve adhesion at the PMMA/NFC interface, the nanofibrils were covalently grafted with PMMA. Formation of a percolating nanofibril network was observed between 1 and 5 wt.% of NFC by dynamic rotational rheometry in molten state. This observation was further supported by the behavior of glass transition temperature which decreased at low NFC concentrations but recovered above the percolation threshold, indicating a decreased mobility of the matrix polymer. This effect was more pronounced with ungrafted NFC, possibly due to a stronger network. The unmodified NFC induced a minor degradation of the molar mass of PMMA. As thin plates, the composites were transparent at low NFC concentrations but became partially aggregated at the highest NFC concentrations. Despite the continuous NFC network, tensile testing showed no improvement of the mechanical properties. Copyright © 2012 Elsevier Ltd. All rights reserved.

An approach to get thermodynamic properties from speed of sound

NASA Astrophysics Data System (ADS)

Núñez, M. A.; Medina, L. A.

2017-01-01

An approach for estimating thermodynamic properties of gases from the speed of sound u, is proposed. The square u2, the compression factor Z and the molar heat capacity at constant volume C V are connected by two coupled nonlinear partial differential equations. Previous approaches to solving this system differ in the conditions used on the range of temperature values [Tmin,Tmax]. In this work we propose the use of Dirichlet boundary conditions at Tmin, Tmax. The virial series of the compression factor Z = 1+Bρ+Cρ2+… and other properties leads the problem to the solution of a recursive set of linear ordinary differential equations for the B, C. Analytic solutions of the B equation for Argon are used to study the stability of our approach and previous ones under perturbation errors of the input data. The results show that the approach yields B with a relative error bounded basically by that of the boundary values and the error of other approaches can be some orders of magnitude lager.

Spectrum of excess partial molar absorptivity. Part II: a near infrared spectroscopic study of aqueous Na-halides.

PubMed

Sebe, Fumie; Nishikawa, Keiko; Koga, Yoshikata

2012-04-07

Our earlier thermodynamic studies suggested that F(-) and Cl(-) form hydration shells with the hydration number 14 ± 2 and 2.3 ± 0.6, respectively, and leave the bulk H(2)O away from hydration shells unperturbed. Br(-) and I(-), on the other hand, form hydrogen bonds directly with the momentarily existing hydrogen bond network of H(2)O, and retard the degree of entropy-volume cross fluctuation inherent in liquid H(2)O. The effect of the latter is stronger for I(-) than Br(-). Here we seek additional information about this qualitative difference between Cl(-) and (Br(-) and I(-)) pair by near infrared (NIR) spectroscopy. We analyze the ν(2) + ν(3) band of H(2)O in the range 4600-5500 cm(-1) of aqueous solutions of NaCl, NaBr and NaI, by a new approach. From observed absorbance, we calculate excess molar absorptivity, ε(E), excess over the additive contributions of solute and solvent. ε(E) thus contains information about the effect of inter-molecular interactions in the ν(2) + ν(3) spectrum. The spectrum of ε(E) shows three bands; two negative ones at 5263 and 4873 cm(-1), and the positive band at 5123 cm(-1). We then define and calculate the excess partial molar absorptivity of each salt, ε(E)(salt). From the behaviour of ε(E)(salt) we suggest that the negative band at 5263 cm(-1) represents free H(2)O without much hydrogen bonding under the influence of local electric field of ions. Furthermore, from a sudden change in the x(salt) (mole fraction of salt) dependence of ε(E)(salt), we suggest that there is an ion-pairing in x(salt) > 0.032, 0.036, and 0.04 for NaCl, NaBr and NaI respectively. The positive band of ε(E) at 5123 cm(-1) is attributed to a modestly organized hydrogen bond network of H(2)O (or liquid-likeness), and the x(salt) dependence of ε indicated a qualitative difference in the effect of Cl(-) from those of Br(-) and I(-). Namely, the values of ε(E)(salt) stay constant for Cl(-) but those for Br(-) and I(-) decrease smoothly on increasing the salt mole fraction. The mole fraction dependence of ε(E)(salt) at the 4873 cm(-1) band, due to ice-likeness in H(2)O, shows a subtle difference between Cl(-) and (Br(-), I(-)) pair.

Clinical Evaluation of Ozone on Dentinal Lesions in Young Permanent Molars using the Stepwise Excavation.

PubMed

Safwat, Osama; Elkateb, Mona; Dowidar, Karin; El Meligy, Omar

To evaluate the clinical changes in dentin of deep carious lesions in young permanent molars, following ozone application with and without the use of a remineralizing solution, using the stepwise excavation. The sample included 162 first permanent immature molars, showing deep occlusal carious cavities that were indicated for indirect pulp capping. Teeth were divided into 2 main groups according to the method of ozone treatment. Each group was further subdivided equally into test and control subgroups. Following caries excavation, color, consistency and DIAGNOdent assessments of dentin were evaluated after 6 and 12 months. Regarding dentin color and consistency, no significant differences were observed following ozone application, with and without a remineralizing solution. There were no significant differences between ozone treatment, and calcium hydroxide during the different evaluation periods, except in group I cases after 6 months, concerning the dentin color. The DIAGNOdent values were significantly reduced following ozone application, with or without a remineralizing solution, as well as between test and control cases in group I after 6 months. Ozone application through the stepwise excavation had no significant effect on dentin color and consistency in young permanent molars. DIAGNOdent was unreliable in monitoring caries activity.

Solution conformation and flexibility of capsular polysaccharides from Neisseria meningitidis and glycoconjugates with the tetanus toxoid protein

NASA Astrophysics Data System (ADS)

Abdelhameed, Ali Saber; Morris, Gordon A.; Almutairi, Fahad; Adams, Gary G.; Duvivier, Pierre; Conrath, Karel; Harding, Stephen E.

2016-10-01

The structural integrity of meningococcal native, micro-fluidized and activated capsular polysaccharides and their glycoconjugates - in the form most relevant to their potential use as vaccines (dilute solution) - have been investigated with respect to their homogeneity, conformation and flexibility. Sedimentation velocity analysis showed that the polysaccharide size distributions were generally bimodal with some evidence for higher molar mass forms at higher concentration. Weight average molar masses Mw where lower for activated polysaccharides. Conjugation with tetanus toxoid protein however greatly increased the molar mass and polydispersity of the final conjugates. Glycoconjugates had an approximately unimodal log-normal but broad and large molar mass profiles, confirmed by sedimentation equilibrium “SEDFIT MSTAR” analysis. Conformation analysis using HYDFIT (which globally combines sedimentation and viscosity data), “Conformation Zoning” and Wales-van Holde approaches showed a high degree of flexibility - at least as great as the unconjugated polysaccharides, and very different from the tetanus toxoid (TT) protein used for the conjugation. As with the recently published finding for Hib-TT complexes, it is the carbohydrate component that dictates the solution behaviour of these glycoconjugates, although the lower intrinsic viscosities suggest some degree of compaction of the carbohydrate chains around the protein.

Solution conformation and flexibility of capsular polysaccharides from Neisseria meningitidis and glycoconjugates with the tetanus toxoid protein.

PubMed

Abdelhameed, Ali Saber; Morris, Gordon A; Almutairi, Fahad; Adams, Gary G; Duvivier, Pierre; Conrath, Karel; Harding, Stephen E

2016-10-26

The structural integrity of meningococcal native, micro-fluidized and activated capsular polysaccharides and their glycoconjugates - in the form most relevant to their potential use as vaccines (dilute solution) - have been investigated with respect to their homogeneity, conformation and flexibility. Sedimentation velocity analysis showed that the polysaccharide size distributions were generally bimodal with some evidence for higher molar mass forms at higher concentration. Weight average molar masses M w where lower for activated polysaccharides. Conjugation with tetanus toxoid protein however greatly increased the molar mass and polydispersity of the final conjugates. Glycoconjugates had an approximately unimodal log-normal but broad and large molar mass profiles, confirmed by sedimentation equilibrium "SEDFIT MSTAR" analysis. Conformation analysis using HYDFIT (which globally combines sedimentation and viscosity data), "Conformation Zoning" and Wales-van Holde approaches showed a high degree of flexibility - at least as great as the unconjugated polysaccharides, and very different from the tetanus toxoid (TT) protein used for the conjugation. As with the recently published finding for Hib-TT complexes, it is the carbohydrate component that dictates the solution behaviour of these glycoconjugates, although the lower intrinsic viscosities suggest some degree of compaction of the carbohydrate chains around the protein.

Index of refraction, density, and solubility of ammonium iodide solutions at high pressure.

PubMed

Lamelas, F J

2013-03-07

An asymmetric moissanite anvil cell is used to study aqueous solutions of ammonium iodide at pressures up to 10 kbar. The index of refraction is measured using the rotating Fabry-Perot technique, with an accuracy of approximately 1%. The mass density and molar volume of the solutions are estimated using the measured index values, and the molar volume is used to predict the pressure dependence of the solubility. The solubility derived from the index of refraction measurements is shown to agree with that which is determined by direct observation of the onset of crystallization.

Calculating excess volumes of binary solutions with allowance for structural differences between mixed components

NASA Astrophysics Data System (ADS)

Balankina, E. S.

2016-06-01

Analytical dependences of a volume's properties on the differences between the geometric structures of initial monosystems are obtained for binary systems simulated by a grain medium. The effect of microstructural parameter k (the ratio of volumes of molecules of mixed components) on the concentration behavior of the relative excess molar volume of different types of real binary solutions is analyzed. It is established that the contribution due to differences between the volumes of molecules and coefficients of the packing density of mixed components is ~80-100% for mutual solutions of n-alkanes and ~55-80% of the experimental value of the relative excess molar volume for water solutions of n-alcohols.

A Survey of Removable Partial Denture (RPD) Retentive Elements in Relation to the Type of Edentulism and Abutment Teeth Found in Commercial Laboratories, Athens, Greece

PubMed Central

Sotiriou, Michael; Zissis, Alcibiades

2014-01-01

Objective The aim of this survey was to record removable partial denture (RPD) retentive elements and abutment teeth in partially edentulous patients, identified in commercial laboratories in Athens, Greece. Material and Methods 628 master casts with the corresponding cast metal frameworks used in the construction of RPDs were evaluated. Casts were photographed to identify the number and position of existing teeth, the partial edentulism class and the retentive elements. Prevalence tables and the x2 test were used for the statistical analysis of the collected data (α=.05). Results There were 276 maxillary (43.9%) and 352 (56.1%) mandibular casts. Maxillary edentulism entailed almost a total absence of right third molars in 96.7% and left third molars 96.0% of casts, with lower rates for the first and second molars. Edentulism in the posterior mandible presented a similar pattern. The most profound findings concerning retentive elements were: 91.9% of the retainers used were clasps and the remaining 8.1% were attachments. Of the clasps used, 48.9% were of the Roach Τ type, a finding more common in Kennedy Class I as compared to other Kennedy Classes (p<0.01). The circumferential clasps accounted for 19.3% of the total clasps used, and it was less frequently presented (8.8%) in Kennedy I Classes (p<0.01). Conclusions Roach clasps were used in the majority of cases whereas RPI clasps and attachments were rarely used. PMID:27688367

The influence of premature loss of temporary upper molars on permanent molars.

PubMed

Cernei, E R; Maxim, Dana Cristiana; Zetu, Irina Nicoleta

2015-01-01

Premature loss of primary molars due to dental caries and their complications has been associated with space loss and eruptive difficulties, especially when the loss occurs early. The aim of our study was to determine the impact of premature loss of temporary upper molars upon the longitudinal axis of the first and second upper permanent molar. The study group included 64 patients 6-9 years old with premature loss of primary molars and a control group of 48 patients with intact temporary teeth. It was evaluated the angle between longitudinal axis of first and second upper permanent molars and occlusal plane. The sofware used is Easy Dent 4 Viewer®.The data were analyzed by using the Statistical Package for the Social Sciences (version 20.0; SPSS, Chicago, III). It was observed that premature loss of upper second deciduous molars modifies greater the vertical axis of the permanent molars than the premature loss of first upper primary molar. First upper primary molar loss cause an acceleration eruption of first premolar, which will produce a distal inclintion of the both permanent molars. The use of space maintainers after premature loss of the second upper temporary molar is a last solution in preventing tridimensional lesions in the dental arch and occlusion.

Host-guest inclusion system of ferulic acid with p-Sulfonatocalix[n]arenes: Preparation, characterization and antioxidant activity

NASA Astrophysics Data System (ADS)

Chao, Jianbin; Wang, Huijuan; Song, Kailun; Wang, Yongzhao; Zuo, Ying; Zhang, Liwei; Zhang, Bingtai

2017-02-01

The inclusion complexes of ferulic acid (FA) with p-Sulfonatocalix[n]arenes (SCXn, n = 4, 6, 8) were prepared and characterized both in the solid state and in solution using fluorescence spectroscopy, 1H nuclear magnetic resonance (1H NMR), attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR), atomic force microscopy (AFM) and differential scanning calorimetry (DSC). The results show that FA is able to form inclusion complexes with SCXn in a molar ratio of 1:1, causing a significant decrease in the fluorescence intensity of FA. The association constant of the inclusion complexes was calculated from the fluorescence titration data. 1H NMR spectroscopy analysis demonstrates that the aromatic ring and methoxy group of FA are partially covered by SCXn.

Elasticity-driven partial demixing in cholesteric liquid crystal films.

PubMed

Schmidtke, Jürgen; Coles, Harry J

2009-07-01

We discuss the partial demixing of a chiral nematic mixture of a chiral and an achiral compound, induced by inhomogeneous confinement between substrates. While the effect is tiny in low molar mass mixtures, it is predicted to be noticeable in polymeric systems. The potential of the effect for improving performance of liquid crystal based photonic devices is discussed.

Pressure effects on the structure, kinetic, and thermodynamic properties of heat-induced aggregation of protein studied by FT-IR spectroscopy

NASA Astrophysics Data System (ADS)

Taniguchi, Y.; Okuno, A.; Kato, M.

2010-03-01

Pressure can retrain the heat-induced aggregation and dissociate the heat-induced aggregates. We observed the aggregation-preventing pressure effect and the aggregates-dissociating pressure effect to characterize the heat-induced aggregation of equine serum albumin (ESA) by FT-IR spectroscopy. The results suggest the α-helical structure collapses at the beginning of heat-induced aggregation through the swollen structure, and then the rearrangement of structure to the intermolecular β-sheet takes place through partially unfolded structure. We determined the activation volume for the heat-induced aggregation (ΔV# = +93 ml/mol) and the partial molar volume difference between native state and heat-induced aggregates (ΔV=+32 ml/mol). This positive partial molar volume difference suggests that the heat-induced aggregates have larger internal voids than the native structure. Moreover, the positive volume change implies that the formation of the intermolecular β-sheet is unfavorable under high pressure.

Pathological (late) fractures of the mandibular angle after lower third molar removal: a case series.

PubMed

Cutilli, Tommaso; Bourelaki, Theodora; Scarsella, Secondo; Fabio, Desiderio Di; Pontecorvi, Emanuele; Cargini, Pasqualino; Junquera, Luis

2013-04-30

Pathological (late) fracture of the mandibular angle after third molar surgery is very rare (0.005% of third molar removals). There are 94 cases reported in the literature; cases associated with osseous pathologies such as osteomyelitis or any local and systemic diseases that may compromise mandibular bone strength have not been included. We describe three new cases of pathological (late) fracture of the mandibular angle after third molar surgery. The first patient was a 27-year-old Caucasian man who had undergone surgical removal of a 3.8, mesioangular variety, class II-C third molar 20 days before admission to our clinic. The fracture of his left mandibular angle, complete and composed, occurred during chewing. The second patient was a 32-year-old Caucasian man. He had undergone surgical removal of a 3.8, mesioangular variety, class II-B third molar 22 days before his admission. The fracture, which occurred during mastication, was studied by computed tomography that showed reparative tissue in the fracture site. The third patient was a 36-year-old Caucasian man who had undergone surgical removal of a 3.8, vertical variety, class II-C third molar 25 days before the observation. In this case the fracture of his mandibular angle was oblique (unfavorable), complete and composed. The fracture had occurred during chewing. We studied the fracture by optical projection tomography and computed tomography.All of the surgical removals of the 3.8 third molars, performed by the patients' dentists who had more than 10 years of experience, were difficult. We treated the fractures with open surgical reduction, internal fixation by titanium miniplates and intermaxillary elastic fixation removed after 6 weeks. The literature indicates that the risk of pathological (late) fracture of the mandibular angle after third molar surgery for total inclusions (class II-III, type C) is twice that of partial inclusions due to the necessity of ostectomies more generous than those for partial inclusions. Other important factors are the anatomy of the teeth and the features of the teeth roots. These fractures predominantly occur in patients who are older than 25 years. The highest incidence (67.8% of cases) is found in the second and third week postsurgery. We emphasize that before the third molar surgery it is extremely important to always provide adequate instructions to the patient in order to avoid early masticatory loads and prevent this rare event.

Complexation of Contaminants and Aqueous-Phase Ozone with Cyclodextrin for Emerging Contaminant Oxidative Degradation

NASA Astrophysics Data System (ADS)

Khan, N. A.; Carroll, K. C.

2016-12-01

Recalcitrant emerging contaminants in groundwater, such as 1,4-dioxane, require strong oxidants for complete mineralization, whereas strong oxidant efficacy for in-situ chemical oxidation (ISCO) is limited by oxidant decay, reactivity, and non-specificity. Hydroxypropyl-β-cyclodextrin (HPβCD) was examined for its ability to stabilize aqueous phase ozone (O3) and prolong oxidation potential through inclusion complex formation. Partial transformation of HPβCD by O3 was observed but HPβCD proved to be sufficiently resilient and only partially degraded in the presence of O3. The formation of a HPβCD:O3 inclusion clathrate complex was observed, and multiple methods for binding constant measurements carried out and compared for HPβCD complexes with O3 and multiple contaminants. The presence of HPβCD increased the O3 half-life linearly with increasing HPβCD:O3 molar ratio. The O3 half-life in solutions increased by as much as 40-fold relative to HPβCD-free O3 solutions, and complexation reversibility was confirmed. Decay rate coefficients increased for 1,4-dioxane, trichloroethene, and trichloroethane likely due to the formation of HPβCD-O3-contaminant ternary complexes. These results suggest that the use of clathrate stabilizers, such as HPβCD, can support the development of a facilitated-transport enabled ISCO for the O3 treatment of groundwater impacted by recalcitrant emerging contaminants.

Stabilization and prolonged reactivity of aqueous-phase ozone with cyclodextrin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dettmer, Adam; Ball, Raymond; Boving, Thomas B.

Recalcitrant organic groundwater contaminants, such as 1,4-dioxane, may require strong oxidants for complete mineralization. However, their efficacy for in-situ chemical oxidation (ISCO) is limited by oxidant decay and reactivity. Hydroxypropyl-β-cyclodextrin (HPβCD) was examined for its ability to stabilize aqueous-phase ozone (O3) and prolong oxidation potential through inclusion complex formation. Partial transformation of HPβCD by O3 was observed. However, HPβCD proved to be sufficiently recalcitrant, because it was only partially degraded in the presence of O3. The formation of a HPβCD:O3 clathrate complex was observed, which stabilized decay of O3. The presence of HPβCD increased the O3 half-life linearly with increasingmore » HPβCD:O3 molar ratio. The O3 half-life in solutions increased by as much as 40-fold relative to HPβCD-free O3 solutions. Observed O3 release from HPβCD and indigo oxidation confirmed that the formation of the inclusion complex is reversible. This proof-of-concept study demonstrates that HPβCD can complex O3 while preserving its reactivity. These results suggest that the use of clathrate stabilizers, such as HPβCD, can support the development of a facilitated-transport enabled ISCO for the O3treatment of groundwater contaminated with recalcitrant compounds.« less

Comparative Study on Corrosion Protection of Reinforcing Steel by Using Amino Alcohol and Lithium Nitrite Inhibitors

PubMed Central

Lee, Han-Seung; Ryu, Hwa-Sung; Park, Won-Jun; Ismail, Mohamed A.

2015-01-01

In this study, the ability of lithium nitrite and amino alcohol inhibitors to provide corrosion protection to reinforcing steel was investigated. Two types of specimens—reinforcing steel and a reinforced concrete prism that were exposed to chloride ion levels resembling the chloride attack environment—were prepared. An autoclave accelerated corrosion test was then conducted. The variables tested included the chloride-ion concentration and molar ratios of anti-corrosion ingredients in a CaOH2-saturated aqueous solution that simulated a cement-pore solution. A concentration of 25% was used for the lithium nitrite inhibitor LiNO2, and an 80% solution of dimethyl ethanolamine ((CH3)2NCH2CH2OH, hereinafter DMEA) was used for the amino alcohol inhibitor. The test results indicated that the lithium nitrite inhibitor displayed anti-corrosion properties at a molar ratio of inhibitor of ≥0.6; the amino alcohol inhibitor also displayed anti-corrosion properties at molar ratios of inhibitor greater than approximately 0.3. PMID:28787936

Improving alachlor biodegradability by ferrate oxidation.

PubMed

Zhu, Jian-Hang; Yan, Xi-Luan; Liu, Ye; Zhang, Bao

2006-07-31

Alachlor can be recalcitrant when present at high concentrations in wastewater. Ferrate oxidation was used as a pretreatment to improve its biodegradability and was evaluated by monitoring alachlor elimination and removal of COD(Cr) (chemical oxygen demand determined by potassium dichromate) during the oxidation process up to a value compatible with biological treatment. Ferrate oxidation resulted in elimination of alachlor followed by degradation of its intermediates. High pH suppressed alachlor removal and COD(Cr) removal due to the low redox potential of ferrate ions. Although alachlor can be totally eliminated within 10 min under optimized conditions (alachlor, 40 mg l(-1); ferrate:alachlor molar ratio, 2; and pH 7.0), its complete mineralization cannot be achieved by ferrate oxidation alone. Alachlor solution treated by ferrate for 10 min inhibited an up-flow biotreatment with activated sludge. The biodegradability of ferrate-pretreated solution improved when the treatment was increased to 20 min, at the point of which BOD(5)/COD(Cr) ratio of the treated solution was increased to 0.87 from 0.35 after 10 min treatment. Under optimized conditions, ferrate oxidation for 20 min resulted in total elimination of alachlor, partial removal of COD(Cr) and the ferrate-treated solution could be effectively treated by the up-flow activated sludge process.

The in vitro effect of Antimicrobial Photodynamic Therapy on dental microcosm biofilms from partially erupted permanent molars: A pilot study.

PubMed

de Oliveira, Fabiana Sodré; Cruvinel, Thiago; Cusicanqui Méndez, Daniela Alejandra; Dionísio, Evandro José; Rios, Daniela; Machado, Maria Aparecida Andrade Moreira

2018-03-01

Antimicrobial Photodynamic Therapy (aPDT) could enhance the prevention of dental caries lesions in pits and fissures of partially erupted molars, by killing microorganisms from complex dental biofilms. This pilot study aimed to evaluate the effect of Antimicrobial Photodynamic Therapy (aPDT) on the viability of specific microorganism groups of dental microcosm biofilms from occlusal surfaces of first permanent molars in eruption. Dental microcosm biofilms grown on bovine enamel blocks, from dental plaque collected on occlusal surfaces of a partially erupted lower right first permanent molar, with McBain medium plus 1% sucrose in anaerobic condition at 37 °C for 72 h. The experiments were performed in eight groups: L-P- = no treatment (control), L18.75P- = 18.75 J/cm 2 LED, L37.5P- = 37.5 J/cm 2 LED, L75P- = 75 J/cm 2 LED, L-P+ = 200 mM TBO, L18.75P+ = 200 mM TBO + 18.75 J/cm 2 LED, L37.5P+ = 200 mM TBO + 37.5 J/cm 2 LED, and L75P+ = 200 mM TBO + 75 J/cm 2 LED. The counts of total microorganisms, total streptococci and mutans streptococci were determined on selective media agar plates by colony-forming units per mL. The log-transformed counts were analyzed by Kruskal-Wallis and post-hoc Dunn's test (P < 0.05). The counts of all microorganisms treated in the group L75P+ were statistically lower than those treated in L-P-. The aPDT promoted a significant reduction of microorganisms, with a trend of dose-dependent effect. TBO-mediated aPDT was effective in reducing the viability of specific microbial groups in dental microcosm biofilms originated from occlusal of permanent molars in eruption. Copyright © 2017 Elsevier B.V. All rights reserved.

Influence of phosphate and solution pH on the mobility of ZnO nanoparticles in saturated sand.

PubMed

Li, Lingxiangyu; Schuster, Michael

2014-02-15

The mobility of nanoparticles (NPs) strongly depends on the chemical characterization of the environmental medium. However, the influence of phosphate on NPs mobility was ignored by scientists despite the serious phosphate contamination in natural environments. Hence, the influence of phosphate and solution pH on the mobility of zinc oxide nanoparticles (ZnO-NPs) was investigated in water-saturated sand representative of groundwater aquifers, which encompassed a range of P/Zn molar ratios (P/Zn: 0-4) and pH (4.8-10.0). The transport of ZnO-NPs was dramatically enhanced in the presence of phosphate, even at a low P/Zn molar ratio namely 0.25, and the retention of ZnO-NPs in the saturated sand decreased with increasing P/Zn molar ratio. Moreover, attachment efficiencies (α) and deposition rates (kd) of ZnO-NPs rapidly decreased with increasing P/Zn molar ratio. In contrast, the solution pH had negligible effects on ZnO-NP transport behavior under phosphate-abundant condition (P/Zn: 4). The distinct effects may be explained by the energy interaction between ZnO-NPs and sand surface under different conditions. Interestingly, under phosphate-abundant condition (P/Zn: 4), solution pH could strongly affect the transport of Zn(2+) in the water-saturated sand. Overall, this study outlines the importance of taking account of phosphate into risk assessment of NPs in the environment. Copyright © 2013 Elsevier B.V. All rights reserved.

Molar volume and adsorption isotherm dependence of capillary forces in nanoasperity contacts.

PubMed

Asay, David B; Kim, Seong H

2007-11-20

The magnitude of the capillary force at any given temperature and adsorbate partial pressure depends primarily on four factors: the surface tension of the adsorbate, its liquid molar volume, its isothermal behavior, and the contact geometry. At large contacting radii, the adsorbate surface tension and the contact geometry are dominating. This is the case of surface force apparatus measurements and atomic force microscopy (AFM) experiments with micrometer-size spheres. However, as the size of contacting asperities decreases to the nanoscale as in AFM experiments with sharp tips, the molar volume and isotherm of the adsorbate become very important to capillary formation as well as capillary adhesion. This effect is experimentally and theoretically explored with simple alcohol molecules (ethanol, 1-butanol, and 1-pentanol) which have comparable surface tensions but differing liquid molar volumes. Adsorption isotherms for these alcohols on silicon oxide are also reported.

Qualitative Observations Concerning Packing Densities for Liquids, Solutions, and Random Assemblies of Spheres

ERIC Educational Resources Information Center

Duer, W. C.; And Others

1977-01-01

Discusses comparisons of packing densities derived from known molar volume data of liquids and solutions. Suggests further studies for using assemblies of spheres as models for simple liquids and solutions. (MLH)

Endodontic treatment of a fused tooth. Report of a case.

PubMed

Gallottini, L; Barbato Bellatini, R C; Migliau, G

2007-01-01

Dental fusion, a rare developmental anomaly present in 0.2% of the general population, consists of the union of two teeth originating from two different tooth germs. The irregular coronal morphology and the complex endodontic anatomy, characterized by the partial or total union of the pulp chambers, together with the peculiarity of the root canal systems, make diagnosis, therapy and rehabilitation difficult. The authors describe the endodontic treatment of a permanent lower second molar fused with a third molar and having four root canals.

A prospective study on transplantation of third molars with complete root formation.

PubMed

Mejàre, Bertil; Wannfors, Karin; Jansson, Leif

2004-02-01

The study objective was to evaluate the prognosis for autotransplantation of third molar teeth with fully developed roots followed by endodontic treatment on the basis of a time-table analysis. A total of 50 third molars with completely developed roots were autotransplanted to replace a lost first or second molar in the same number of admitted patients. Root canal treatment was started 3 to 4 weeks later. Clinical and radiographic checkup of the transplanted and root-filled third molars was done annually according to a predesigned record form. Descriptive statistics including a life table and statistical analysis were performed. The cumulative survival rate during 4 years' follow-up was 81.4%. In all, 7 transplants were lost during the follow-up time, 4 of them due to marginal periodontal pathosis and the other 3 due to root resorption. None of the root resorptions was observed before the second postoperative year. The radiographic periapical status was considered normal in 96% of the transplants at the latest follow-up visit. Autotransplantation of mature third molar teeth is a reasonable treatment alternative to conventional prosthetic rehabilitation or implant treatment in cases of partial edentualism from both a therapeutic and an economic point of view.

Metric and geometric morphometric analysis of new hominin fossils from Maba (Guangdong, China).

PubMed

Xiao, Dongfang; Bae, Christopher J; Shen, Guanjun; Delson, Eric; Jin, Jennie J H; Webb, Nicole M; Qiu, Licheng

2014-09-01

We present an analysis of a set of previously unreported hominin fossils from Maba (Guangdong, China), a cave site that is best known for the presence of a partial hominin cranium currently assigned as mid-Pleistocene Homo and that has been traditionally dated to around the Middle-Late Pleistocene transition. A more recent set of Uranium series dates indicate that the Maba travertine may date to >237 ka (thousands of years ago), as opposed to the original U-series date, which placed Maba at 135-129 ka. The fossils under study include five upper first and second molars and a partial left mandible with a socketed m3, all recovered from different parts of the site than the cranium or the dated sediments. The results of our metric and 2D geometric morphometric ('GM') study suggest that the upper first molars are likely from modern humans, suggesting a more recent origin. The upper second molars align more closely with modern humans, though the minimum spanning tree from the 2D GM analysis also connects Maba to Homo neanderthalensis. The patterning in the M2s is not as clear as with the M1s. The m3 and partial mandible are morphometrically intermediate between Holocene modern humans and older Homo sapiens. However, a minimum spanning tree indicates that both the partial mandible and m3 align most closely with Holocene modern humans, and they also may be substantially younger than the cranium. Because questions exist regarding the context and the relationship of the dated travertine with the hominin fossils, we suggest caution is warranted in interpreting the Maba specimens. Copyright © 2014 Elsevier Ltd. All rights reserved.

Seed/Catalyst-Free Growth of Gallium-Based Compound Materials on Graphene on Insulator by Electrochemical Deposition at Room Temperature.

PubMed

Rashiddy Wong, Freddawati; Ahmed Ali, Amgad; Yasui, Kanji; Hashim, Abdul Manaf

2015-12-01

We report the growth of gallium-based compounds, i.e., gallium oxynitride (GaON) and gallium oxide (Ga2O3) on multilayer graphene (MLG) on insulator using a mixture of ammonium nitrate (NH4NO3) and gallium nitrate (Ga(NO3)3) by electrochemical deposition (ECD) method at room temperature (RT) for the first time. The controlling parameters of current density and electrolyte molarity were found to greatly influence the properties of the grown structures. The thicknesses of the deposited structures increase with the current density since it increases the chemical reaction rates. The layers grown at low molarities of both solutions basically show grain-like layer with cracking structures and dominated by both Ga2O3 and GaON. Such cracking structures seem to diminish with the increases of molarities of one of the solutions. It is speculated that the increase of current density and ions in the solutions helps to promote the growth at the area with uneven thicknesses of graphene. When the molarity of Ga(NO3)3 is increased while keeping the molarity of NH4NO3 at the lowest value of 2.5 M, the grown structures are basically dominated by the Ga2O3 structure. On the other hand, when the molarity of NH4NO3 is increased while keeping the molarity of Ga(NO3)3 at the lowest value of 0.8 M, the GaON structure seems to dominate where their cubic and hexagonal arrangements are coexisting. It was found that when the molarities of Ga(NO3)3 are at the high level of 7.5 M, the grown structures tend to be dominated by Ga2O3 even though the molarity of NH4NO3 is made equal or higher than the molarity of Ga(NO3)3. When the grown structure is dominated by the Ga2O3 structure, the deposition process became slow or unstable, resulting to the formation of thin layer. When the molarity of Ga(NO3)3 is increased to 15 M, the nanocluster-like structures were formed instead of continuous thin film structure. This study seems to successfully provide the conditions in growing either GaON-dominated or Ga2O3-dominated structure by a simple and low-cost ECD. The next possible routes to convert the grown GaON-dominated structure to either single-crystalline GaN or Ga2O3 as well as Ga2O3-dominated structure to single-crystalline Ga2O3 structure have been discussed.

Removal of ammonia solutions used in catalytic wet oxidation processes.

PubMed

Hung, Chang Mao; Lou, Jie Chung; Lin, Chia Hua

2003-08-01

Ammonia (NH(3)) is an important product used in the chemical industry, and is common place in industrial wastewater. Industrial wastewater containing ammonia is generally either toxic or has concentrations or temperatures such that direct biological treatment is unfeasible. This investigation used aqueous solutions containing more of ammonia for catalytic liquid-phase oxidation in a trickle-bed reactor (TBR) based on Cu/La/Ce composite catalysts, prepared by co-precipitation of Cu(NO(3))(2), La(NO(3))(2), and Ce(NO(3))(3) at 7:2:1 molar concentrations. The experimental results indicated that the ammonia conversion of the wet oxidation in the presence of the Cu/La/Ce composite catalysts was determined by the Cu/La/Ce catalyst. Minimal ammonia was removed from the solution by the wet oxidation in the absence of any catalyst, while approximately 91% ammonia removal was achieved by wet oxidation over the Cu/La/Ce catalyst at 230 degrees C with oxygen partial pressure of 2.0 MPa. Furthermore, the effluent streams were conducted at a liquid hourly space velocity of under 9 h(-1) in the wet catalytic processes, and a reaction pathway was found linking the oxidizing ammonia to nitric oxide, nitrogen and water. The solution contained by-products, including nitrates and nitrites. Nitrite selectivity was minimized and ammonia removal maximized when the feed ammonia solution had a pH of around 12.0.

Thermodynamic studies of aqueous solutions of 2,2,2-cryptand at 298.15 K: enthalpy-entropy compensation, partial entropies, and complexation with K+ ions.

PubMed

Shaikh, Vasim R; Terdale, Santosh S; Ahamad, Abdul; Gupta, Gaurav R; Dagade, Dilip H; Hundiwale, Dilip G; Patil, Kesharsingh J

2013-12-19

The osmotic coefficient measurements for binary aqueous solutions of 2,2,2-cryptand (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8] hexacosane) in the concentration range of ~0.009 to ~0.24 mol·kg(-1) and in ternary aqueous solutions containing a fixed concentration of 2,2,2-cryptand of ~0.1 mol·kg(-1) with varying concentration of KBr (~0.06 to ~0.16 mol·kg(-1)) have been reported at 298.15 K. The diamine gets hydrolyzed in aqueous solutions and needs proper approach to obtain meaningful thermodynamic properties. The measured osmotic coefficient values are corrected for hydrolysis and are used to determine the solvent activity and mean ionic activity coefficients of solute as a function of concentration. Strong ion-pair formation is observed, and the ion-pair dissociation constant for the species [CrptH](+)[OH(-)] is reported. The excess and mixing thermodynamic properties (Gibbs free energy, enthalpy, and entropy changes) have been obtained using the activity data from this study and the heat data reported in the literature. Further, the data are utilized to compute the partial molal entropies of solvent and solute at finite as well as infinite dilution of 2,2,2-cryptand in water. The concentration dependent non-linear enthalpy-entropy compensation effect has been observed for the studied system, and the compensation temperature along with entropic parameter are reported. Using solute activity coefficient data in ternary solutions, the transfer Gibbs free energies for transfer of the cryptand from water to aqueous KBr as well as transfer of KBr from water to aqueous cryptand were obtained and utilized to obtain the salting constant (ks) and thermodynamic equilibrium constant (log K) values for the complex (2,2,2-cryptand:K(+)) at 298.15 K. The value of log K = 5.8 ± 0.1 obtained in this work is found to be in good agreement with that reported by Lehn and Sauvage. The standard molar entropy for complexation is also estimated for the 2,2,2-cryptand-KBr complex in aqueous medium.

Effect of race/ethnicity on clinical presentation and risk of gestational trophoblastic neoplasia in patients with complete and partial molar pregnancy at a tertiary care referral center.

PubMed

Gockley, Allison A; Joseph, Naima T; Melamed, Alexander; Sun, Sue Yazaki; Goodwin, Benjamin; Bernstein, Marilyn; Goldstein, Donald P; Berkowitz, Ross S; Horowitz, Neil S

2016-09-01

The reported incidence of molar pregnancy varies widely among different geographic locations. This variation has been attributed, at least in part, to racial/ethnic differences. While the incidence of molar pregnancies is decreasing, certain ethnic groups such as Hispanics, Asians, and American Indians continue to have an increased risk of developing gestational trophoblastic disease across the globe. We sought to describe the potential effect of ethnicity/race on the presentation and clinical course of complete mole and partial mole. All patients followed up for complete mole and partial mole at a single institution referral center from 1994 through 2013 were identified. Variables including age, race, gravidity, parity, gestational age, presenting signs/symptoms, serum human chorionic gonadotropin values, and development of gestational trophoblastic neoplasia were extracted from medical records and patient surveys. Patients with complete mole and partial mole were categorized into race/ethnicity groups defined as white, black, Asian, or Hispanic. Due to low numbers of non-white patients with partial mole in each non-white category, patients with partial mole were grouped as white or non-white. Continuous variables were compared using the Kruskal-Wallis test and binary variables were compared using the Fisher exact test. A total of 167 complete mole patients with known race/ethnicity status were included (57.48% white, 14.97% Asian, 14.37% black, 13.17% Hispanic). Hispanics presented at younger age (median 24.5 years) compared to whites (median 32.0 years, P = .04) and Asians (median 31.0 years, P = .03). Blacks had higher gravidity than whites (P < .001) and Hispanics (P = .05). There was no significant difference in presenting symptoms, gestational age at diagnosis, and preevacuation serum human chorionic gonadotropin level by race/ethnicity. Hispanics were significantly less likely than whites to develop gestational trophoblastic neoplasia (absolute risk difference, 28.6%; 95% confidence interval, 8.1-39.2%; P = .02). A total of 144 patients with partial mole were analyzed. There were 108 white and 36 non-white patients. Median age was 31 years for white and 29 years for non-white patients (P = .006). Median gravidity was 2 for white and 3 for non-white patients (P < .001), and median parity was 0 for white patients and 1 for non-white patients (P = .003). There were no significant differences with respect to presenting signs and symptoms, gestational age, preevacuation human chorionic gonadotropin level, or risk of progression to gestational trophoblastic neoplasia. Hispanic patients with complete molar pregnancy had a significantly lower risk of developing gestational trophoblastic neoplasia than white patients. There were no significant differences among groups in terms of presenting symptoms, gestational age at diagnosis, or preevacuation human chorionic gonadotropin levels for either complete mole or partial mole patients. Copyright © 2016. Published by Elsevier Inc.

Densities and apparent molar volumes of atmospherically important electrolyte solutions. 1. The solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50 °C, including extrapolations to very low temperature and to the pure liquid state, and NaHSO4, NaOH, and NH3 at 25 °C.

PubMed

Clegg, S L; Wexler, A S

2011-04-21

Calculations of the size and density of atmospheric aerosols are complicated by the fact that they can exist at concentrations highly supersaturated with respect to dissolved salts and supercooled with respect to ice. Densities and apparent molar volumes of solutes in aqueous solutions containing the solutes H(2)SO(4), HNO(3), HCl, Na(2)SO(4), NaNO(3), NaCl, (NH(4))(2)SO(4), NH(4)NO(3), and NH(4)Cl have been critically evaluated and represented using fitted equations from 0 to 50 °C or greater and from infinite dilution to concentrations saturated or supersaturated with respect to the dissolved salts. Using extrapolated densities of high-temperature solutions and melts, the relationship between density and concentration is extended to the hypothetical pure liquid solutes. Above a given reference concentration of a few mol kg(-1), it is observed that density increases almost linearly with decreasing temperature, and comparisons with available data below 0 °C suggest that the fitted equations for density can be extrapolated to very low temperatures. As concentration is decreased below the reference concentration, the variation of density with temperature tends to that of water (which decreases as temperature is reduced below 3.98 °C). In this region below the reference concentration, and below 0 °C, densities are calculated using extrapolated apparent molar volumes which are constrained to agree at the reference concentrations with an equation for the directly fitted density. Calculated volume properties agree well with available data at low temperatures, for both concentrated and dilute solutions. Comparisons are made with literature data for temperatures of maximum density. Apparent molar volumes at infinite dilution are consistent, on a single ion basis, to better than ±0.1 cm(3) mol(-1) from 0 to 50 °C. Volume properties of aqueous NaHSO(4), NaOH, and NH(3) have also been evaluated, at 25 °C only. In part 2 of this work (ref 1 ) an ion interaction (Pitzer) model has been used to calculate apparent molar volumes of H(2)SO(4) in 0-3 mol kg(-1) aqueous solutions of the pure acid and to represent directly the effect of the HSO(4)(-) ↔ H(+) + SO(4)(2-) reaction. The results are incorporated into the treatment of aqueous H(2)SO(4) density described here. Densities and apparent molar volumes from -20 to 50 °C, and from 0 to 100 wt % of solute, are tabulated for the electrolytes listed in the title and have also been incorporated into the extended aerosol inorganics model (E-AIM, http://www.aim.env.uea.ac.uk/aim/aim.php) together with densities of the solid salts and hydrates.

Comparison of the analgesic efficacy of oral ketorolac versus intramuscular tramadol after third molar surgery: A parallel, double-blind, randomized, placebo-controlled clinical trial

PubMed Central

Isiordia-Espinoza, Mario-Alberto; Martinez-Rider, Ricardo; Perez-Urizar, Jose

2016-01-01

Background Preemptive analgesia is considered an alternative for treating the postsurgical pain of third molar removal. The aim of this study was to evaluate the preemptive analgesic efficacy of oral ketorolac versus intramuscular tramadol after a mandibular third molar surgery. Material and Methods A parallel, double-blind, randomized, placebo-controlled clinical trial was carried out. Thirty patients were randomized into two treatment groups using a series of random numbers: Group A, oral ketorolac 10 mg plus intramuscular placebo (1 mL saline solution); or Group B, oral placebo (similar tablet to oral ketorolac) plus intramuscular tramadol 50 mg diluted in 1 mL saline solution. These treatments were given 30 min before the surgery. We evaluated the time of first analgesic rescue medication, pain intensity, total analgesic consumption and adverse effects. Results Patients taking oral ketorolac had longer time of analgesic covering and less postoperative pain when compared with patients receiving intramuscular tramadol. Conclusions According to the VAS and AUC results, this study suggests that 10 mg of oral ketorolac had superior analgesic effect than 50 mg of tramadol when administered before a mandibular third molar surgery. Key words:Ketorolac, tramadol, third molar surgery, pain, preemptive analgesia. PMID:27475688

Pain control following impacted third molar surgery with bupivacaine irrigation of tooth socket: a prospective study.

PubMed

Khorshidi Khiavi, Reza; Pourallahverdi, Maghsood; Pourallahverdi, Ayda; Ghorani Khiavi, Saadat; Ghertasi Oskouei, Sina; Mokhtari, Hadi

2010-01-01

The surgical removal of the lower third molars is a procedure generally followed by side effects such as postoperative pain. The aim of this study was to evaluate the efficacy of socket irrigation with an anesthetic solution in relieving pain following impacted third molar surgery. Thirty-four patients (17 males and 17 females), aged 18-24 years, with bilateral impacted lower third molars were selected. Both third molars were extracted in one surgical session. Tooth sockets in each patient were rinsed randomly either with 4 mL of 0.5% bupivacaine hydrochloride plain (without vasoconstrictor) anesthetic solu-tion or 4 mL of normal saline, used as control. The patients were instructed not to use analgesics as long as possible, and if not, they were instructed to use an analgesic, and record the time. Pain severity was assessed using a visual analogue pain scale (VAPS) at 1-, 6-, 12-, and 24-hour intervals post-operatively. Data were analyzed using Pearson's chi-square test and P <0.05 was considered statistically significant. Post-operative pain difference between the two groups was statistically significant at 1-, 6-, 12- and 24-hour post-operative intervals (P <0.05). Post-operative pain increased in both groups to a maximum 12 hours after surgery with signif-icant improvements after that. Based on the results, the irrigation of surgery site with bupivacaine after third molar surgery significantly reduces post-operative pain.

Pain Control Following Impacted Third Molar Surgery with Bupivacaine Irrigation of Tooth Socket: A Prospective Study

PubMed Central

Khorshidi Khiavi, Reza; Pourallahverdi, Maghsood; Pourallahverdi, Ayda; Ghorani Khiavi, Saadat; Ghertasi Oskouei, Sina; Mokhtari, Hadi

2010-01-01

Background and aims The surgical removal of the lower third molars is a procedure generally followed by side effects such as postoperative pain. The aim of this study was to evaluate the efficacy of socket irrigation with an anesthetic solution in relieving pain following impacted third molar surgery. Materials and methods Thirty-four patients (17 males and 17 females), aged 18-24 years, with bilateral impacted lower third molars were selected. Both third molars were extracted in one surgical session. Tooth sockets in each patient were rinsed randomly either with 4 mL of 0.5% bupivacaine hydrochloride plain (without vasoconstrictor) anesthetic solu-tion or 4 mL of normal saline, used as control. The patients were instructed not to use analgesics as long as possible, and if not, they were instructed to use an analgesic, and record the time. Pain severity was assessed using a visual analogue pain scale (VAPS) at 1-, 6-, 12-, and 24-hour intervals post-operatively. Data were analyzed using Pearson’s chi-square test and P <0.05 was considered statistically significant. Results Post-operative pain difference between the two groups was statistically significant at 1-, 6-, 12- and 24-hour post-operative intervals (P <0.05). Post-operative pain increased in both groups to a maximum 12 hours after surgery with signif-icant improvements after that. Conclusion Based on the results, the irrigation of surgery site with bupivacaine after third molar surgery significantly reduces post-operative pain. PMID:23346335

Effect of the pore water composition on the diffusive anion transport in argillaceous, low permeability sedimentary rocks

NASA Astrophysics Data System (ADS)

Wigger, Cornelia; Van Loon, Luc R.

2018-06-01

The effect of the pore water composition on the diffusive anion transport was studied for two different argillaceous, low permeability sedimentary rocks, Opalinus Clay (OPA) and Helvetic Marl (HM). The samples were saturated with different solutions with varying molar concentration and different main cations in the solution: NaCl based pore solutions and CaCl2 based pore solutions. The total porosity was measured by through-diffusion experiments with the neutral tracer HTO. Experiments performed in NaCl solutions resulted in a porosity of 0.12 for OPA and 0.03 for HM, and are consistent with results of the experiments in CaCl2 solutions. The total porosity was independent of the molar concentration, in contrast to the measured anion porosity, which increased with increasing molar concentration. It could further be observed that the pore solution based on the bivalent cation calcium shielded the negative surface charge stronger than the monovalent cation sodium, resulting in a larger measureable anion-accessible porosity in the case of CaCl2 solutions. The data was modelled based on an adapted Donnan approach of Birgersson and Karnland (2009). The model had to be adjusted with a permanent free, uncharged porosity, as well as with structural information on the permanent anion exclusion because of so-called bottleneck pores. Both parameters can only be evaluated from experiments. Nevertheless, taking these two adaptions into account, the effect of varying pore water compositions on the anion-accessible porosity of the investigated argillaceous rocks could be satisfactorily described.

Effect of the pore water composition on the diffusive anion transport in argillaceous, low permeability sedimentary rocks.

PubMed

Wigger, Cornelia; Van Loon, Luc R

2018-06-01

The effect of the pore water composition on the diffusive anion transport was studied for two different argillaceous, low permeability sedimentary rocks, Opalinus Clay (OPA) and Helvetic Marl (HM). The samples were saturated with different solutions with varying molar concentration and different main cations in the solution: NaCl based pore solutions and CaCl 2 based pore solutions. The total porosity was measured by through-diffusion experiments with the neutral tracer HTO. Experiments performed in NaCl solutions resulted in a porosity of 0.12 for OPA and 0.03 for HM, and are consistent with results of the experiments in CaCl 2 solutions. The total porosity was independent of the molar concentration, in contrast to the measured anion porosity, which increased with increasing molar concentration. It could further be observed that the pore solution based on the bivalent cation calcium shielded the negative surface charge stronger than the monovalent cation sodium, resulting in a larger measureable anion-accessible porosity in the case of CaCl 2 solutions. The data was modelled based on an adapted Donnan approach of Birgersson and Karnland (2009). The model had to be adjusted with a permanent free, uncharged porosity, as well as with structural information on the permanent anion exclusion because of so-called bottleneck pores. Both parameters can only be evaluated from experiments. Nevertheless, taking these two adaptions into account, the effect of varying pore water compositions on the anion-accessible porosity of the investigated argillaceous rocks could be satisfactorily described. Copyright © 2018 Elsevier B.V. All rights reserved.

Theoretical study for volume changes associated with the helix-coil transition of peptides.

PubMed

Imai, T; Harano, Y; Kovalenko, A; Hirata, F

2001-12-01

We calculate the partial molar volumes and their changes associated with the coil(extended)-to-helix transition of two types of peptide, glycine-oligomer and glutamic acid-oligomer, in aqueous solutions by using the Kirkwood-Buff solution theory coupled with the three-dimensional reference interaction site model (3D-RISM) theory. The volume changes associated with the transition are small and positive. The volume is analyzed by decomposing it into five contributions following the procedure proposed by Chalikian and Breslauer: the ideal volume, the van der Waals volume, the void volume, the thermal volume, and the interaction volume. The ideal volumes and the van der Waals volumes do not change appreciably upon the transition. In the both cases of glycine-peptide and glutamic acid-peptide, the changes in the void volumes are positive, while those in the thermal volumes are negative, and tend to balance those in the void volumes. The change in the interaction volume of glycine-peptide does not significantly contribute, while that of glutamic acid-peptide makes a negative contribution. Copyright 2001 John Wiley & Sons, Inc. Biopolymers 59: 512-519, 2001

Molecular simulation of excess isotherm and excess enthalpy change in gas-phase adsorption.

PubMed

Do, D D; Do, H D; Nicholson, D

2009-01-29

We present a new approach to calculating excess isotherm and differential enthalpy of adsorption on surfaces or in confined spaces by the Monte Carlo molecular simulation method. The approach is very general and, most importantly, is unambiguous in its application to any configuration of solid structure (crystalline, graphite layer or disordered porous glass), to any type of fluid (simple or complex molecule), and to any operating conditions (subcritical or supercritical). The behavior of the adsorbed phase is studied using the partial molar energy of the simulation box. However, to characterize adsorption for comparison with experimental data, the isotherm is best described by the excess amount, and the enthalpy of adsorption is defined as the change in the total enthalpy of the simulation box with the change in the excess amount, keeping the total number (gas + adsorbed phases) constant. The excess quantities (capacity and energy) require a choice of a reference gaseous phase, which is defined as the adsorptive gas phase occupying the accessible volume and having a density equal to the bulk gas density. The accessible volume is defined as the mean volume space accessible to the center of mass of the adsorbate under consideration. With this choice, the excess isotherm passes through a maximum but always remains positive. This is in stark contrast to the literature where helium void volume is used (which is always greater than the accessible volume) and the resulting excess can be negative. Our definition of enthalpy change is equivalent to the difference between the partial molar enthalpy of the gas phase and the partial molar enthalpy of the adsorbed phase. There is no need to assume ideal gas or negligible molar volume of the adsorbed phase as is traditionally done in the literature. We illustrate this new approach with adsorption of argon, nitrogen, and carbon dioxide under subcritical and supercritical conditions.

PCDD/Fs' suppression by sulfur-amine/ammonium compounds.

PubMed

Fu, Jian-Ying; Li, Xiao-Dong; Chen, Tong; Lin, Xiao-Qing; Buekens, Alfons; Lu, Sheng-Yong; Yan, Jian-Hua; Cen, Ke-Fa

2015-03-01

Three distinct -S and -NH2 or NH4(+) containing compounds, including ammonium thiosulfate, aminosulfonic acid and thiourea, were studied as polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) inhibitors. All these three -S and -N containing compounds tested show strong suppression of PCDD/Fs formation, especially for thiourea which has not been studied before. With a (S+N)/Cl molar ratio of only 0.47, thiourea could inhibit 97.3% of PCDD/Fs and even 99.8% of I-TEQ. At an unusually high de novo test temperature (650 °C), the PCDD/Fs' formation was still very low but also the inhibition capacity of thiourea was weak, with an efficiency of 59% for PCDD/Fs when with a (S+N)/Cl molar ratio of 1.40. The results also revealed that the inhibition capability of the combined -S/-NH2 or -S/NH4(+) suppressant was strongly influenced by both the nature of the functional group of nitrogen and the value of the molar ratio (S+N)/Cl. The amine functional group -NH2 tends to be more efficient than ammonium NH4(+) and within a certain range a higher (S+N)/Cl value leads to a higher inhibition efficiency. Moreover, the emission of gases was continuously monitored: the Gasmet results revealed that SO2, HCN and NH3 were the most important decomposition products of thiourea. Thiourea is non-toxic, environment-friendly and can be sprayed into the post-combustion zone in form of powder or aqueous solution. The cost of thiourea at least can be partially compensated by its high inhibition efficiency. Therefore, the application of thiourea in a full-scale incinerator system is promising and encouraging. Copyright © 2014 Elsevier Ltd. All rights reserved.

Assessing the dispersive and electrostatic components of the cohesive energy of ionic liquids using molecular dynamics simulations and molar refraction data.

PubMed

Shimizu, Karina; Tariq, Mohammad; Costa Gomes, Margarida F; Rebelo, Luís P N; Canongia Lopes, José N

2010-05-06

Molecular dynamics simulations were used to calculate the density and the cohesive molar internal energy of seventeen different ionic liquids in the liquid phase. The results were correlated with previously reported experimental density and molar refraction data. The link between the dispersive component of the total cohesive energy of the fluid and the corresponding molar refraction was established in an unequivocal way. The results have shown that the two components of the total cohesive energy (dispersive and electrostatic) exhibit strikingly different trends and ratios along different families of ionic liquids, a notion that may help explain their diverse behavior toward different molecular solutes and solvents.

Solving Solutions: Exploring Unknowns through Chemistry.

ERIC Educational Resources Information Center

Burns, John; Yoshina, Granville; Goodding, Debbie; Streitberger, Eric

2000-01-01

Presents a chemistry activity that introduces students to one type of chemical bond by developing the integer operation concept of zero pairs. Leads to an activity of combining drops of 0.3 molar solutions to form six different colored precipitates from five solutions. (ASK)

Direct synthesis of Al-SBA-15 containing aluminosilicate species plugs in an acid-free medium and structural adjustment by hydrothermal post-treatment

NASA Astrophysics Data System (ADS)

Shi, Lei; Xu, Yan; Zhang, Na; Lin, Sen; Li, Xiangping; Guo, Peng; Li, Xuebing

2013-07-01

A series of Al-SBA-15 with controllable aluminosilicate plug structures inside straight mesopores has been hydrothermally synthesized in a one-step synthesis in an environmentally friendly acid-free medium, using triblock copolymer Pluronic P123 as a structure-directing agent, water as solvent, tetraethyl orthosilicate (TEOS) and aluminum nitrate (Al(NO)3·9H2O) as silica and aluminum sources, respectively. The effects of the P123/Si molar ratio in the initial solution and aging temperature on the structural properties of the resulting materials were investigated by powder X-ray diffraction (XRD), nitrogen adsorption-desorption at 77 K, transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermogravimetric (TG), FT-IR spectra and inductively coupled plasma (ICP) analyses. The nature of the Al species and the acidity of the resultant samples were studied by solid state 27Al MAS NMR and pyridine adsorption measurements. The specific surface area (935-755 m2g-1), pore volume (1.03-0.56 cm3g-1) and especially the concentration and distribution of open type mesopores (0-68% to the total pores) of the synthesized Al-SBA-15 can be controlled by a simple adjustment of the P123/Si molar ratio in the initial solution. Moreover, increasing the aging temperature higher than 363 K can remarkably decrease the formation of plug structures to obtain “open” form mesopores. The observation by TEM of alternate defined gray and white areas inside the mesopores gives the strong evidence of isolated microporous aluminosilicate plugs inside the channels. In addition, a moderate hydrothermal post-treatment can finely modify the mesostructures through the partial or complete dissolution of the aluminosilicate plugs.

The Partial Molar Volume and Compressibility of FeO in CaO-SiO2 Liquids: Systematic Variation with Fe2+ Coordination Change

NASA Astrophysics Data System (ADS)

Guo, X.; Lange, R. A.; Ai, Y.

2009-12-01

Iron is an important element in magmatic liquid, since its concentration can range up to 18% in some basaltic liquids, and it has two oxidation states. In order to model magmatic processes, thermodynamic descriptions of silicate melts must include precise information for both the FeO and Fe2O3 components. Currently, the partial molar volume of FeO is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Yet these data are required in order to convert sound speed measurements on FeO-bearing liquids into compressibility data, which in turn are needed extend density models for magmatic liquids to elevated pressures. Moreover, there is growing evidence from the spectroscopic literature that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and thus it is possible that the partial molar volume and compressibility of FeO may vary with Fe2+ coordination, and thus with melt composition. To explore these issues, we have conducted both density and relaxed sound speed measurements on liquids in the CaO-FeO-SiO2 system, where the CaO/SiO2 ratio was systematically varied at constant FeO concentration (40 mol%). Density was measured between 1594 and 1813K with the double-bob Archimedean method using molybdenum bobs and crucible in a reducing gas (1%CO-99%Ar) environment. The sounds speeds were measured under similar conditions with a frequency-sweep acoustic interferometer. The derived partial molar volume of FeO increases systematically from 13.7 to 15.2 cm3/mol at 1673 K as the CaO/SiO2 ratio increases and the Fe2+ coordination number decreases. From a comparison with the crystalline volume of FeO (halite structure; 12.06 cm3/mol), which serves as a lower limit for VFeO in silicate liquids when Fe2+ is in 6-fold coordination, we estimate that the average Fe2+ coordination in our experimental melts extends up to values between 5 and 4, consistent with the spectroscopic literature. The partial molar compressibility of FeO also increases systematically as Fe2+ coordination decreases, and its maximum measured value (7.01 x 10-2 GPa-1) is nearly identical to that for the SiO2 component in 4-fold coordination (7.14 x 10-2 GPa-1) and is considerably larger than that for the relatively incompressible component MgO (0.65 x 10-2 GPa-1). Thus, our data indicate that the volumetric properties of FeO component have more in common with those for SiO2 than for MgO.

Effects of sodium hydroxide (NaOH) solution concentration on fly ash-based lightweight geopolymer

NASA Astrophysics Data System (ADS)

Ibrahim, W. M. W.; Hussin, K.; Abdullah, M. M. A.; Kadir, A. A.; Deraman, L. M.

2017-09-01

In this study, the effects of NaOH concentration on properties of fly ash-based lightweight geopolymer were investigated. Lightweight geopolymer was produced using fly ash as source materials and synthetic foaming agents as air entraining agent. The alkaline solutions used in this study are combination of sodium hydroxide (NaOH) and sodium silicate (Na2SiO3) solution. Different molarities of NaOH solution (6M, 8M, 10M, 12M, and 14M) are taken for preparation of 50 x 50 x 50 mm cubes of lightweight geopolymer. The ratio of fly ash/alkaline solution, Na2SiO3/NaOH solution, foaming agent/water and foam/geopolymer paste were kept constant at 2.0, 2.5, 1:10 and 1:1 respectively. The samples were cured at 80°C for 24 hours and left at room temperature for tested at 7 days of ageing. Physical and mechanical properties such as density, water absorption, compressive strength and microstructure property were determined from the cube dried samples. The results show that the NaOH molarity had effects on the properties of lightweight geopolymer with the optimum NaOH molarity found is 12M due to the high strength of 15.6 MPa, lower water absorption (7.3%) and low density (1440 kg/m3). Microstructure analysis shows that the lightweight geopolymer contain some porous structure and unreacted fly ash particles remains.

A notable difference between ideal gas and infinite molar volume limit of van der Waals gas

NASA Astrophysics Data System (ADS)

Liu, Q. H.; Shen, Y.; Bai, R. L.; Wang, X.

2010-05-01

The van der Waals equation of state does not sufficiently represent a gas unless a thermodynamic potential with two proper and independent variables is simultaneously determined. The limiting procedures under which the behaviour of the van der Waals gas approaches that of an ideal gas are letting two van der Waals coefficients be zero rather than letting the molar volume become infinitely large; otherwise, the partial derivative of internal energy with respect to pressure at a fixed temperature does not vanish.

Rapid determination of molar mass in modified Archibald experiments using direct fitting of the Lamm equation.

PubMed

Schuck, P; Millar, D B

1998-05-15

A new method is described that allows measurement of the molar mass of the solute within 15 to 30 min after start of a conventional long-column sedimentation equilibrium experiment. A series of scans of the concentration distribution in close vicinity of the meniscus, taken in rapid succession after the start of the centrifuge run, is analyzed by direct fitting using the Lamm equation and the Svedberg equation. In case of a single solute, this analysis of the initial depletion at the meniscus reveals its buoyant molar mass and sedimentation coefficient with an accuracy of approximately 10% and provides gross information about sample heterogeneity. This method can be used to study macromolecules that do not possess the prolonged stability needed in conventional sedimentation equilibrium experiments and it can increase the efficiency of sedimentation equilibrium experiments of previously uncharacterized samples.

Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schnell, Sondre K.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720; Department of Chemistry, Faculty of Natural Science and Technology, Norwegian University of Science and Technology, 4791 Trondheim

2014-10-14

We present a new molecular simulation technique for determining partial molar enthalpies in mixtures of gases and liquids from single simulations, without relying on particle insertions, deletions, or identity changes. The method can also be applied to systems with chemical reactions. We demonstrate our method for binary mixtures of Weeks-Chandler-Anderson particles by comparing with conventional simulation techniques, as well as for a simple model that mimics a chemical reaction. The method considers small subsystems inside a large reservoir (i.e., the simulation box), and uses the construction of Hill to compute properties in the thermodynamic limit from small-scale fluctuations. Results obtainedmore » with the new method are in excellent agreement with those from previous methods. Especially for modeling chemical reactions, our method can be a valuable tool for determining reaction enthalpies directly from a single MD simulation.« less

Effect of Immersion Time on Corrosion Behavior of Single-Phase Alloy and Nanocomposite Bismuth Telluride-Based Thermoelectrics in NaCl Solution

NASA Astrophysics Data System (ADS)

Keshavarz, Mohsen K.; Fattah-Alhosseini, Arash

2018-05-01

The corrosiveness of bismuth telluride-based thermoelectric materials (n-type single-phase alloy and a nanocomposite with MoS2 nanoinclusions), in 0.1 molar solution of sodium chloride (NaCl), was investigated. The electrochemical impedance spectroscopy curves obtained after 1, 24, 48 and 72 h immersion time revealed the enhancement of the corrosion resistance of the nanocomposite specimen in a 0.1 molar NaCl solution in comparison with the single-phase bismuth telluride-based alloys, and the passivity increased by immersion time up to 72 h. The nanocomposite sample with submicron grains provided suitable nucleation sites for passive film nucleation that led to higher protective behavior.

In Vivo Effect of Calcium Hydroxide and Resin-modified Glass Ionomer Cement on Carious Dentin in Young Permanent Molars: An Ultrastructural and Macroscopic Study.

PubMed

Opal, Shireen; Garg, Shalini; Sharma, Deepak; Dhindsa, Abhishek; Jatana, Isha

2017-01-15

The purpose of this study was to evaluate macroscopically and ultrastructurally the effect of calcium hydroxide cement (CH) and resin-modified glass ionomer cement (RMGIC) compared with gutta percha (control) as a lining material on carious dentin after partial caries removal and sealing. Twenty-seven permanent molars with deep carious lesions underwent partial caries removal with the application of CH, RMGIC, or gutta percha (control) and were then sealed for three months. After a partial caries removal and sealing period, the dentin was macroscopically assessed (for color, consistency, and humidity) and further analyzed by scanning electron microscope to assess the ultrastructural changes in dentin (lumen size, mineralization of tubules, occlusion of tubules by cements, and bacterial ingress). The effect of treatment in each group was statistically analyzed. Dentin darkening and hardening were observed after the sealing period in all groups. However, there was no difference in the color after treatment among the three groups. It was observed that RMGIC showed a significant reduction in the size of the lumen compared to CH and the control. Partial caries removal and sealing resulted in dentin hardening, darkening, and dentin remineralization, irrespective of the dentin protection used.

Thermodynamics and Kinetics of Chemical Equilibrium in Solution.

ERIC Educational Resources Information Center

Leenson, I. A.

1986-01-01

Discusses theory of thermodynamics of the equilibrium in solution and dissociation-dimerization kinetics. Describes experimental procedure including determination of molar absorptivity and equilibrium constant, reaction enthalpy, and kinetics of the dissociation-dimerization reaction. (JM)

Distal caries of the second molar in the presence of a mandibular third molar - a prevention protocol.

PubMed

Toedtling, V; Coulthard, P; Thackray, G

2016-09-23

Objectives The objectives of the prospective study were to establish the prevalence of distal caries (DC) in the mandibular second molar and to assess the outcomes of these diseased teeth in our population. Further aims were to identify associated risk factors and to design a protocol for prevention.Methods Clinical and radiographic data from 210 consecutive patients were ascertained over a three-month period. The sample population included all patients who had been referred to a hospital oral surgery department for a lower wisdom tooth assessment.Results A total of 224 mandibular third molars were included and assessed. The prevalence of caries affecting the distal aspect of the second molar was 38% (n = 85) in this population. In 18% of patients there was evidence of early enamel caries. Fifty-eight percent of caries was managed with restorative treatment but 11% of patients required second molar extraction and 13% of patients required the removal of the second and third molars. The prevalence of distal caries was significantly higher in patients with partially erupted wisdom teeth positioned below the amelocemental junction (P <0.05) of the adjacent second molar and in patients who presented with mesioangular impactions (P <0.001). However there was no difference in dental health when comparing this group to the remaining study population (P = 0.354). The Pearson chi-square test and Pearson correlation coefficient were used to verify the association between the tested variables.Conclusion This study demonstrates that the eruption status, type of angulation and the nature of tooth contact between both molars are useful disease predictors which can be used to indicate the likelihood of a caries process occurring on the distal aspect of the second mandibular molar. If patients' third molar teeth are not removed then consideration needs to be given to prevention and regular monitoring.

Theoretical and experimental study on the effects of particle size and temperature on the reaction kinetics of cubic nano-Cu2O

NASA Astrophysics Data System (ADS)

Tang, Huanfeng; Huang, Zaiyin; Xiao, Ming; Liang, Min; Chen, Liying; Tan, XueCai

2017-09-01

The activities, selectivities, and stabilities of nanoparticles in heterogeneous reactions are size-dependent. In order to investigate the influencing laws of particle size and temperature on kinetic parameters in heterogeneous reactions, cubic nano-Cu2O particles of four different sizes in the range of 40-120 nm have been controllably synthesized. In situ microcalorimetry has been used to attain thermodynamic data on the reaction of Cu2O with aqueous HNO3 and, combined with thermodynamic principles and kinetic transition-state theory, the relevant reaction kinetic parameters have been evaluated. The size dependences of the kinetic parameters are discussed in terms of the established kinetic model and the experimental results. It was found that the reaction rate constants increased with decreasing particle size. Accordingly, the apparent activation energy, pre-exponential factor, activation enthalpy, activation entropy, and activation Gibbs energy decreased with decreasing particle size. The reaction rate constants and activation Gibbs energies increased with increasing temperature. Moreover, the logarithms of the apparent activation energies, pre-exponential factors, and rate constants were found to be linearly related to the reciprocal of particle size, consistent with the kinetic models. The influence of particle size on these reaction kinetic parameters may be explained as follows: the apparent activation energy is affected by the partial molar enthalpy, the pre-exponential factor is affected by the partial molar entropy, and the reaction rate constant is affected by the partial molar Gibbs energy. [Figure not available: see fulltext.

Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying.

PubMed

Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger; Rades, Thomas; Laitinen, Riikka

2015-12-03

In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed that in the spray-dried formulations the remaining crystallinity originated from SLS only. The best dissolution properties and a "spring and parachute" effect were found for SVS spray-dried from a 5% SLS solution without LYS. Despite the presence of at least partially crystalline SLS in the mixtures, all the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from aqueous surfactant solutions was able to produce formulations with improved physical stability for amorphous SVS.

In Vitro Comparison of Marginal and Internal Fit of Press-on-Metal Ceramic (PoM) Restorations with Zirconium-Supported and Conventional Metal Ceramic Fixed Partial Dentures Before and After Veneering.

PubMed

Varol, Seda; Kulak-Özkan, Yasemin

2015-07-01

To compare marginal and internal fit between 3- and 4-unit press-on-metal (PoM) ceramic, zirconia-supported, and conventional metal ceramic fixed partial dentures (FPDs) before and after veneering. Ten pieces for each 3- and 4-unit MC, IPS InLine PoM, and IPS e.max ZirCAD/Zir Press FPDs were produced. Cross-sections from silicone replicas were examined and measured with a light microscope. Occlusal, axial, intermarginal, and marginal mean adaptation scores of cross-sectioned replicas and means of measurements obtained from 4 sites were calculated independently. Mean values for molars were 78.44 ± 32.01 μm (MC), 89.84 ± 29.20 μm (PoM), and 85.17 ± 28.49 μm (Zir). Premolar values were 76.08 ± 27.92 μm (MC), 89.94 ± 23.49 μm (PoM), and 87.18 ± 28.25 μm (Zir). No difference existed between the means of 3- and 4-unit FPDs except the molar-intermarginal region. The mean value of 4-unit FPDs (93.88 ± 25.41 μm) was less than the 3-unit FPDs (103.68 ± 24.55 μm) at the molar-inter marginal region. A gap increase was observed in all sites except the molar-axio-occlusal region after veneering. According to the mean difference, gap increases at the molar-marginal, molar-intermarginal, and premolar-intermarginal regions were statistically significant. A statistical difference was found at the molar-marginal region for 4-unit MCR (p = 0.041) and 4-unit PoM FPDs (p = 0.042) before and after veneering. Gap increase after veneering of 4-unit metal ceramics at molar-intermarginal, premolar-marginal, and premolar-intermarginal regions (p = 0.020; p = 0.015; p = 0.004) was significant. The gap measurements of the IPS InLine PoM and IPS e.max ZirCAD/Zir Press groups were all clinically acceptable. No studies on marginal and internal fit in the IPS InLine PoM system have been published to date. This study should be supported with future studies. No significant increase was observed after press-veneering the IPS e.max ZirCAD frameworks with an IPS e.max ZirPress material; therefore, we recommend the use of this combination. © 2014 by the American College of Prosthodontists.

Preparation of gold nanoparticles by surfactant-promoted reductive reaction without extra reducing agent.

PubMed

Tang, Junqi; Huang, Jiamin; Man, Shi-Qing

2013-02-15

Cetyltrimethyl ammonium bromide (CTAB) has been extensively applied in the solution-phase synthesis of many types of colloidal nanoparticles. However, the uses of CTAB were mainly considered as template or capping agents to form controllable shape and protect the product from agglomeration. Here it was discovered that CATB could serve as a very mild reductant to reduce gold salt precursors preparing gold nanoparticles (GNPs) at base environment. CTAB acted as the reducing agent suffering a partial degradation and forming CTA macro radicals. FTIR proved the formation of CCl and/or CBr bond after CTAB degraded. The characterization of synthesized GNPs was examined by UV-Vis spectra, TEM and XRD. Several factors affecting the process of reaction, such as the amount of NaOH, the molar ratio of CTAB and HAuCl(4), the reaction temperature, the effect of light and oxygen, and stirring were discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

Schaeffler-Type Phase Diagram of Ti-Based Alloys

NASA Astrophysics Data System (ADS)

Ishida, K.

2017-10-01

The α(hcp)/β(bcc) phase equilibria of Ti-based multi-component alloys can be described by a Schaeffler-type diagram, where Al and Mo equivalents (Aleq and Moeq) are used. Aleq is thermodynamically defined by the ratio of partial molar free energy changes transfer of one mole of each α forming element and Al from a dilute solution of α to β phases, while Moeq is also deduced by similar thermodynamic quantities of β forming element and Mo. Aleq and Moeq for 40 alloying elements are estimated from the thermodynamic parameters assessed by Kaufman and Murray. It is shown that three types of Ti alloys, i.e., α and near α, α+β, and β alloys, can be exactly classified using Aleq and Moeq. The Ms and β transus temperatures can also be predicted by Aleq and Moeq. The proposed Aleq and Moeq are very useful for alloy design, heat treatment, and microstructural evolution of Ti-based alloys.

Tailoring and optimization of optical properties of CdO thin films for gas sensing applications

NASA Astrophysics Data System (ADS)

Rajput, Jeevitesh K.; Pathak, Trilok K.; Kumar, V.; Swart, H. C.; Purohit, L. P.

2018-04-01

Cadmium oxide (CdO) thin films have been deposited onto glass substrates using different molar concentrations (0.2 M, 0.5 M and 0.8 M) of cadmium acetate precursor solutions using a sol-gel spin coating technique. The structural, morphological, optical and electrical results are presented. X-ray diffraction patterns indicated that the CdO films of different molarity have a stable cubic structure with a (111) preferred orientation at low molar concentration. Scanning electron microscopy images revealed that the films adopted a rectangular to cauliflower like morphology. The optical transmittance of the thin films was observed in the range 200-800 nm and it was found that the 0.2 M CdO thin films showed about 83% transmission in the visible region. The optical band gap energy of the thin films was found to vary from 2.10 to 3.30 eV with the increase in molar concentration of the solution. The electrical resistance of the 0.5 M thin film was found to be 1.56 kΩ. The oxygen sensing response was observed between 20-33% in the low temperature range (32-200 °C).

Comparison of the analgesic efficacy of oral ketorolac versus intramuscular tramadol after third molar surgery: A parallel, double-blind, randomized, placebo-controlled clinical trial.

PubMed

Isiordia-Espinoza, M-A; Pozos-Guillen, A; Martinez-Rider, R; Perez-Urizar, J

2016-09-01

Preemptive analgesia is considered an alternative for treating the postsurgical pain of third molar removal. The aim of this study was to evaluate the preemptive analgesic efficacy of oral ketorolac versus intramuscular tramadol after a mandibular third molar surgery. A parallel, double-blind, randomized, placebo-controlled clinical trial was carried out. Thirty patients were randomized into two treatment groups using a series of random numbers: Group A, oral ketorolac 10 mg plus intramuscular placebo (1 mL saline solution); or Group B, oral placebo (similar tablet to oral ketorolac) plus intramuscular tramadol 50 mg diluted in 1 mL saline solution. These treatments were given 30 min before the surgery. We evaluated the time of first analgesic rescue medication, pain intensity, total analgesic consumption and adverse effects. Patients taking oral ketorolac had longer time of analgesic covering and less postoperative pain when compared with patients receiving intramuscular tramadol. According to the VAS and UAC results, this study suggests that 10 mg of oral ketorolac had superior analgesic effect than 50 mg of tramadol when administered before a mandibular third molar surgery.

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

PubMed

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.

Use of calcium/aluminum ratios as indicators of stress in forest ecosystems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cronan, C.S.; Grigal, D.F.

1995-03-01

The calcium/aluminum (Ca/Al) molar ratio of the soil solution provides a valuable measurement endpoint or ecological indicator for identification of approximate thresholds beyond which the risk of forest damage from Al stress and nutrient imbalances increases. The Ca/Al ratio can also be used as an indicator to assess forest ecosystem changes over time in response to acidic deposition, forest harvesting, or other processes contributing to acid soil infertility. Based on a critical review of literature on Al stress, we estimate that there is a 50:50 risk of adverse impacts on tree growth or nutrition when the soil solution Ca/Al ratiomore » is as low as 1.0, a 75% risk when the soil solution ratio is as low as 0.5, and nearly a 100% risk when the soil solution Ca/Al molar ratio is as low as 0.2. The Ca/Al ratio of the soil solution can be corroborated with other complementary indices.« less

Challenges in analysis of high-molar mass dextrans: comparison of HPSEC, AsFlFFF and DOSY NMR spectroscopy.

PubMed

Maina, Ndegwa Henry; Pitkänen, Leena; Heikkinen, Sami; Tuomainen, Päivi; Virkki, Liisa; Tenkanen, Maija

2014-01-01

Dilute solutions of various dextran standards, a high-molar mass (HMM) commercial dextran from Leuconostoc spp., and HMM dextrans isolated from Weissella confusa and Leuconostoc citreum were analyzed with high-performance size-exclusion chromatography (HPSEC), asymmetric flow field-flow fractionation (AsFlFFF), and diffusion-ordered NMR spectroscopy (DOSY). HPSEC analyses were performed in aqueous and dimethyl sulfoxide (DMSO) solutions, while only aqueous solutions were utilized in AsFlFFF and DOSY. The study showed that all methods were applicable to dextran analysis, but differences between the aqueous and DMSO-based solutions were obtained for HMM samples. These differences were attributed to the presence of aggregates in aqueous solution that were less prevalent in DMSO. The study showed that DOSY provides an estimate of the size of HMM dextrans, though calibration standards may be required for each experimental set-up. To our knowledge, this is the first study utilizing these three methods in analyzing HMM dextrans. Copyright © 2013 Elsevier Ltd. All rights reserved.

Comparison of Methods for Predicting the Compositional Dependence of the Density and Refractive Index of Organic-Aqueous Aerosols.

PubMed

Cai, Chen; Miles, Rachael E H; Cotterell, Michael I; Marsh, Aleksandra; Rovelli, Grazia; Rickards, Andrew M J; Zhang, Yun-Hong; Reid, Jonathan P

2016-08-25

Representing the physicochemical properties of aerosol particles of complex composition is of crucial importance for understanding and predicting aerosol thermodynamic, kinetic, and optical properties and processes and for interpreting and comparing analysis methods. Here, we consider the representations of the density and refractive index of aqueous-organic aerosol with a particular focus on the dependence of these properties on relative humidity and water content, including an examination of the properties of solution aerosol droplets existing at supersaturated solute concentrations. Using bulk phase measurements of density and refractive index for typical organic aerosol components, we provide robust approaches for the estimation of these properties for aerosol at any intermediate composition between pure water and pure solute. Approximately 70 compounds are considered, including mono-, di- and tricarboxylic acids, alcohols, diols, nitriles, sulfoxides, amides, ethers, sugars, amino acids, aminium sulfates, and polyols. We conclude that the molar refraction mixing rule should be used to predict the refractive index of the solution using a density treatment that assumes ideal mixing or, preferably, a polynomial dependence on the square root of the mass fraction of solute, depending on the solubility limit of the organic component. Although the uncertainties in the density and refractive index predictions depend on the range of subsaturated compositional data available for each compound, typical errors for estimating the solution density and refractive index are less than ±0.1% and ±0.05%, respectively. Owing to the direct connection between molar refraction and the molecular polarizability, along with the availability of group contribution models for predicting molecular polarizability for organic species, our rigorous testing of the molar refraction mixing rule provides a route to predicting refractive indices for aqueous solutions containing organic molecules of arbitrary structure.

Intramaxillary and intermaxillary absolute anchorage with an endosseous dental implant and rare-earth magnets.

PubMed

Uribe, Flavio; Nanda, Ravindra

2009-07-01

This case report describes the management of a partially edentulous adult with a severe deepbite malocclusion and a collapsed buccal segment because of supraeruption of the maxillary second and third molars. The treatment involved placement of an endosseous dental implant to achieve absolute intermaxillary and intramaxillary anchorage. Rare-earth magnets embedded in acrylic bite-blocks were used to intrude the supraerupted maxillary molars on the right side. After use as an anchorage device, the implant was restored and brought into occlusion. Good occlusal and esthetic results were achieved with this cost-effective treatment.

Further investigations of the effect of pressure on retention in ultra-high-pressure liquid chromatography.

PubMed

Fallas, Morgane M; Neue, Uwe D; Hadley, Mark R; McCalley, David V

2010-01-15

In this study, we investigated further the large increases in retention with pressure that we observed previously in RP-LC especially for ionised solutes. These findings were initially confirmed on a conventional silica C(18) column, which gave extremely similar results to the hybrid C(18) phase originally used. Large increases in retention factor of approximately 50% for a pressure increase of 500 bar were also shown for high MW polar but neutral solutes. However, experiments with the same bases in ionised and non-ionised forms suggest that somewhat greater pressure-induced retention increases are found for ionised solutes. Retention increases with pressure were found to be considerably smaller for a C(1) column compared with a C(18) column; decreases in retention with increasing pressure were noted for ionised bases when using a bare silica column in the hydrophilic interaction chromatography (HILIC) mode. These observations are consistent with the partial loss of the solvation layer in RP-LC as the solute is forced into the hydrophobic environment of the stationary phase, and consequent reduction in the solute molar volume, while the water layer on the surface of a HILIC packing increases the hydration of a basic analyte. Finally, retention changes with pressure in RP-LC can also be observed at a mobile phase pH close to the solute pK(a), due to changes in pK(a) with pressure. However, this effect has no influence on the results of most of our studies. 2009 Elsevier B.V. All rights reserved.

Process for the extraction of strontium from acidic solutions

DOEpatents

Horwitz, E.P.; Dietz, M.L.

1994-09-06

The invention is a process for selectively extracting strontium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant solution is a macrocyclic polyether in an aliphatic hydrocarbon diluent containing a phase modifier. The process will selectively extract strontium values from nitric acid solutions which are up to 6 molar in nitric acid. 4 figs.

Process for the extraction of strontium from acidic solutions

DOEpatents

Horwitz, E. Philip; Dietz, Mark L.

1994-01-01

The invention is a process for selectively extracting strontium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant solution is a macrocyclic polyether in an aliphatic hydrocarbon diluent containing a phase modifier. The process will selectively extract strontium values from nitric acid solutions which are up to 6 molar in nitric acid.

Process for the extraction of strontium from acidic solutions

DOEpatents

Horwitz, E.P.; Dietz, M.L.

1993-01-01

The invention is a process for selectively extracting strontium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant solution is a macrocyclic polyether in an aliphatic hydrocarbon diluent containing a phase modifier. The process will selectively extract strontium values from nitric acid solutions which are up to 6 molar in nitric acid.

Distribution of molar mass and branching index of natural rubber from Hevea brasiliensis trees of different age by size exclusion chromatography coupled with online viscometry.

PubMed

Phan, T N; Lan, N T; Nga, N T

2004-05-01

Natural rubber from hevea brasiliensis trees (Thailand, RRIM 600 clone) of different age (8, 20, and 35 years) were characterized by size exclusion chromatography coupled with online viscometry according to their distribution of molar mass and branching index at a temperature of 70 degrees C using cyclohexane as solvent. Washing with an aqueous solution of sodium dodecylsulfate and subsequent saponification purified the natural rubber samples. With this procedure physical branching points caused by phospholipids, proteins and hydrophobic terminal units, mainly fatty acids, of the natural rubber (cis-1,4-polyisoprene) molecule, could be removed leading to completely soluble polymer samples. All samples investigated possess a very broad (10 to 50,000 kg/mol) and distinct bimodal molar mass distribution. With increasing age the peak area in the low molar mass region decreases favoring the peak area in the high molar mass region. By plotting the branching index as a function of the both, the molar mass and the age of the trees.

The effects of local administration of Zoledronate solution on the tooth movement and periodontal ligament.

PubMed

Liu, Chang; Sun, Xinhua; Chen, Yuanping; Hu, Min; Liang, Tang

2002-07-01

To investigate the effects of local administration of Zoledronate solution on the tooth movement and periodontal ligament. Orthodontic tooth movement of upper first molar was performed in 42 rats with coil spring. Zoledronate solution was injected into the palatal submucosal area adjacent to the left upper first molar in experimental group 3 days prior to the use of the appliance. In control group, same amount of 0.9% NaCl solution was injected into the palatal submucosal area adjacent to the left and right upper first molar. The injection was applied every third day. The application of mesial force lasted 0.3, 7, 14, 21 days respectively. After the rats were sacrificed, the distance of tooth movement was measured. Sections were stained and then observed with microscope. 1. The distance of tooth movement in the experimental group was significantly smaller than that in the control group. 2. The number of osteoclast on the pressure side in the experiment group was significantly smaller than that in the control group through the experimental period, but there was no distinct difference between experimental group and control group (except for 14 days) for the number of odontoclast in interradicular area. 3. The osteoclasts and odontoclasts were the main target cell of Zoledronate in periodontal tissue. Zoledronate may be a useful agent for anchorage control and reducing the number of osteoclast on pressure side of alveolar bone.

The color expression of copigmentation between malvidin-3-O-glucoside and three phenolic aldehydes in model solutions: The effects of pH and molar ratio.

PubMed

Zhang, Bo; He, Fei; Zhou, Pan-Pan; Liu, Yue; Duan, Chang-Qing

2016-05-15

Copigmentation was investigated in model solutions between the anthocyanin malvidin-3-O-glucoside and three phenolic aldehydes (vanillic, syringic and coniferyl aldehydes) as a function of the pH and the pigment/copigment molar ratio. Tristimulus colorimetry was applied to evaluate the chromatic variations induced by copigmentation process. The results indicated that the greatest magnitude of copigmentation was obtained at pH 3.0 and molar ratio of 1:100, being significantly higher with coniferyl aldehyde, followed by syringic and vanillic aldehydes. The equilibrium constant (K) and Gibbs free energies (ΔG°) determined here show a spontaneous exothermic reaction. Theoretical calculations (ΔGbinding, ΔE) specified the relative arrangement of the pigment and copigment molecules within the complexes. In addition, an atoms in molecules (AIM) analysis was used to explore the main driving forces contributing to the formation of copigmentation complexes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Radiographic evaluation of bone regeneration after the application of plasma rich in growth factors in a lower third molar socket: a case report

PubMed Central

2009-01-01

A 42-year-old Mediterranean male presented complaining of inability to sustain good oral care at the posterior aspect of the lower right jaw. The main problems were food impaction in the area and the subsequent malodor. The patient reported remarkable medical history. Clinical examination revealed local erytherma with noticeable bone defect distal to the second molar with obvious defect in the mesial wall of the third molar; the penetration depth was found to be up to 6 mm. Radiological evaluation confirmed the defect and it was attributed to the mesioangularly partially impacted lower third molar. It was decided that third molar should be extracted and concentrate of the patient's growth factors (PRGF) to be applied into the bony defect to stimulate bone regeneration and promote healing. The third molar tooth was, then, removed surgically and the PRGF, which was prepared preoperatively, was implanted in the socket. At the first postoperative day, moderate pain was the main complaint and was controlled by NSAIDs. One week postoperatively, the sutures were removed and there was good tissue healing on examination. On the fiftieth postoperative day, radiographic evaluation took place and showed noticeable enhancement of density and radio-opacity in the third molar socket area, in comparison with the baseline image. Further, clinical examination showed significant reduction of periodontal pocketing and evidence of new bone formation. In conclusion, PRGF was very successful in stimulating bone regeneration and promote healing following dental extraction. PMID:20062651

Randomized in vivo evaluation of photodynamic antimicrobial chemotherapy on deciduous carious dentin

NASA Astrophysics Data System (ADS)

Steiner-Oliveira, Carolina; Longo, Priscila Larcher; Aranha, Ana Cecília Corrêa; Ramalho, Karen Müller; Mayer, Marcia Pinto Alves; de Paula Eduardo, Carlos

2015-10-01

The aim of this randomized in vivo study was to compare antimicrobial chemotherapies in primary carious dentin. Thirty-two participants ages 5 to 7 years underwent partial caries removal from deep carious dentin lesions in primary molars and were subsequently divided into three groups: control [chlorhexidine and resin-modified glass ionomer cement (RMGIC)], LEDTB [photodynamic antimicrobial chemotherapy (PACT) with light-emitting diode associated with toluidine blue solution and RMGIC], and LMB [PACT with laser associated with methylene blue solution and RMGIC]. The participants were submitted to initial clinical and radiographic examinations. Demographic features and biofilm, gingival, and DMFT/DMFS indexes were evaluated, in addition to clinical and radiographic followups at 6 and 12 months after treatments. Carious dentin was collected before and after each treatment, and the number of Streptococcus mutans, Streptococcus sobrinus, Lactobacillus casei, Fusobacterium nucleatum, Atopobium rimae, and total bacteria was established by quantitative polymerase chain reaction. No signs of pain or restoration failure were observed. All therapies were effective in reducing the number of microorganisms, except for S. sobrinus. No statistical differences were observed among the protocols used. All therapies may be considered as effective modern approaches to minimal intervention for the management of deep primary caries treatment.

Direct AFM force measurements between air bubbles in aqueous polydisperse sodium poly(styrene sulfonate) solutions: effect of collision speed, polyelectrolyte concentration and molar mass.

PubMed

Browne, Christine; Tabor, Rico F; Grieser, Franz; Dagastine, Raymond R

2015-07-01

Interactions between colliding air bubbles in aqueous solutions of polydisperse sodium poly(styrene sulfonate) (NaPSS) using direct force measurements were studied. The forces measured with deformable interfaces were shown to be more sensitive to the presence of the polyelectrolytes when compared to similar measurements using rigid interfaces. The experimental factors that were examined were NaPSS concentration, bubble collision velocity and polyelectrolyte molar mass. These measurements were then compared with an analytical model based on polyelectrolyte scaling theory in order to explain the effects of concentration and bubble deformation on the interaction between bubbles. Typically structural forces from the presence of monodisperse polyelectrolyte between interacting surfaces may be expected, however, it was found that the polydispersity in molar mass resulted in the structural forces to be smoothed and only a depletion interaction was able to be measured between interacting bubbles. It was found that an increase in number density of NaPSS molecules resulted in an increase in the magnitude of the depletion interaction. Conversely this interaction was overwhelmed by an increase in the fluid flow in the system at higher bubble collision velocities. Polymer molar mass dispersity plays a significant role in the interactions present between the bubbles and has implications that also affect the polyelectrolyte overlap concentration of the solution. Further understanding of these implications can be expected to play a role in the improvement in operations in such fields as water treatment and mineral processing where polyelectrolytes are used extensively. Copyright © 2015 Elsevier Inc. All rights reserved.

The effect of the osmolality of sugar-containing media, the type of sugar, and the mass and molar concentration of sugar on the survival of frozen-thawed mouse sperm.

PubMed

Koshimoto, Chihiro; Mazur, Peter

2002-08-01

Several factors have contributed to problems in mouse sperm cryopreservation, and we and others have found ways to ameliorate them. These include high sensitivity to several types of mechanical stresses and to oxygen-derived free radicals, low tolerance to osmotic cell volume changes, and rather rigorous requirements for cooling and warming rates. Another important factor is the cryoprotective agent. Mouse sperm are unusual in that our best results have been obtained in media containing the nonpermeating sugar raffinose (18% w/v) and lacking glycerol. This paper deals with questions about the basis of the protective action of sugars, and whether raffinose is unusual or unique in its ability to confer protection. More specifically, we investigated whether protection was more related to the total osmolality of the freezing solution, to the mass concentration of sugar, or to the molarity of the sugar, and we looked to see whether there are effects attributable to specific sugars. To investigate these questions, mouse sperm were frozen at the optimal rate of 25 degrees C/min in solutions prepared with different proportions of three sugars-raffinose, sucrose, and glucose-dissolved in 1/4x PBS. In the first experimental series, the total osmolality and the total sugar molarity were varied from 400 to 700 mOsm and from 300 to 530 mM, respectively, while holding the mass concentration of sugar constant at 18% (w/v). In the second experimental series, the mass concentration of sugars was varied from 10 to 18% while the sugar molarity and solution osmolality remained constant at 300 mM and 420 mOsm, respectively. The results suggest that protection against freezing and thawing depends more on the mass concentration of the sugar than on its molar concentration, a conclusion that has mechanistic implications.

Influence of hydrostatic pressure on dynamics and spatial distribution of protein partial molar volume: time-resolved surficial Kirkwood-Buff approach.

PubMed

Yu, Isseki; Tasaki, Tomohiro; Nakada, Kyoko; Nagaoka, Masataka

2010-09-30

The influence of hydrostatic pressure on the partial molar volume (PMV) of the protein apomyoglobin (AMb) was investigated by all-atom molecular dynamics (MD) simulations. Using the time-resolved Kirkwood-Buff (KB) approach, the dynamic behavior of the PMV was identified. The simulated time average value of the PMV and its reduction by 3000 bar pressurization correlated with experimental data. In addition, with the aid of the surficial KB integral method, we obtained the spatial distributions of the components of PMV to elucidate the detailed mechanism of the PMV reduction. New R-dependent PMV profiles identified the regions that increase or decrease the PMV under the high pressure condition. The results indicate that besides the hydration in the vicinity of the protein surface, the outer space of the first hydration layer also significantly influences the total PMV change. These results provide a direct and detailed picture of pressure induced PMV reduction.

Intrinsic alterations in the partial molar volume on the protein denaturation: surficial Kirkwood-Buff approach.

PubMed

Yu, Isseki; Takayanagi, Masayoshi; Nagaoka, Masataka

2009-03-19

The partial molar volume (PMV) of the protein chymotrypsin inhibitor 2 (CI2) was calculated by all-atom MD simulation. Denatured CI2 showed almost the same average PMV value as that of native CI2. This is consistent with the phenomenological question of the protein volume paradox. Furthermore, using the surficial Kirkwood-Buff approach, spatial distributions of PMV were analyzed as a function of the distance from the CI2 surface. The profiles of the new R-dependent PMV indicate that, in denatured CI2, the reduction in the solvent electrostatic interaction volume is canceled out mainly by an increment in thermal volume in the vicinity of its surface. In addition, the PMV of the denatured CI2 was found to increase in the region in which the number density of water atoms is minimum. These results provide a direct and detailed picture of the mechanism of the protein volume paradox suggested by Chalikian et al.

Studies on the phase diagram of Pb-Fe-O system and standard molar Gibbs energy of formation of 'PbFe5O8.5' and Pb2Fe2O5

NASA Astrophysics Data System (ADS)

Sahu, Sulata Kumari; Ganesan, Rajesh; Gnanasekaran, T.

2012-07-01

Partial phase diagram of Pb-Fe-O system has been established by phase equilibration studies over a wide temperature range coupled with high temperature solid electrolyte based emf cells. Ternary oxides are found to coexist with liquid lead only at temperatures above 900 K. At temperatures below 900 K, iron oxides coexist with liquid lead. Standard molar Gibbs energy of formation of ternary oxides 'PbFe5O8.5' and Pb2Fe2O5 were determined by measuring equilibrium oxygen partial pressures over relevant phase fields using emf cells and are given by the following expressions: ΔfGmo 'PbFeO'±1.0(kJ mol)=-2208.1+0.6677(T/K) (917⩽T/K⩽1117) ΔfGmo PbFeO±0.8(kJ mol)=-1178.4+0.3724(T/K) (1050⩽T/K⩽1131) .

Influence of posterior dental arch length on brain activity during chewing in patients with mandibular distal extension removable partial dentures.

PubMed

Shoi, K; Fueki, K; Usui, N; Taira, M; Wakabayashi, N

2014-07-01

It is well known that shortened dental arch decreases masticatory function. However, its potential to change brain activity during mastication is unknown. The present study investigates the effect of a shortened posterior dental arch with mandibular removable partial dentures (RPDs) on brain activity during gum chewing. Eleven subjects with missing mandibular molars (mean age, 66.1 years) on both sides received experimental RPDs with interchangeable artificial molars in a crossover trial design. Brain activity during gum chewing with RPDs containing (full dental arch) and lacking artificial molars (shortened dental arch) was measured using functional magnetic resonance imaging. Additionally, masticatory function was evaluated for each dental arch type. Food comminuting and mixing ability and the perceived chewing ability were significantly lower in subjects with a shortened dental arch than those with a full dental arch (P < 0.05). Brain activation during gum chewing with the full dental arch occurred in the middle frontal gyrus, primary sensorimotor cortex extending to the pre-central gyrus, supplementary motor area, putamen, insula and cerebellum. However, middle frontal gyrus activation was not observed during gum chewing with the shortened dental arch. These results suggest that shortened dental arch affects human brain activity in the middle frontal gyrus during gum chewing, and the decreased middle frontal gyrus activation may be associated with decreased masticatory function. © 2014 John Wiley & Sons Ltd.

Comparative Study of the Binding of Concanavalin A to Self-Assembled Monolayers Containing a Thiolated α-Mannoside on Flat Gold and on Nanoporous Gold

PubMed Central

Pandey, Binod; Tan, Yih Horng; Fujikawa, Kohki; Demchenko, Alexei V.

2013-01-01

We have prepared SAMs containing 8-mercaptooctyl α-D-mannopyranoside, either as a single component or in mixed SAMs with n-octanethiol on flat gold surfaces and on nanoporous gold. Electrochemical impedance spectroscopy showed that the mixed SAMs on flat gold surfaces showed the highest Con A binding near 1:9 solution molar ratio of thiolatedα-mannoside to n-octanethiol whereas those on NPG showed the highest response at 1:19 solution molar ratio of thiolated α-mannoside to n-octanethiol. Atomic force microscopy was employed to image the monolayers, and also to image the bound Con A protein. PMID:23519474

Synthesis of Mixed Cu/Ce Oxide Nanoparticles by the Oil-in-Water Microemulsion Reaction Method.

PubMed

Pemartin-Biernath, Kelly; Vela-González, Andrea V; Moreno-Trejo, Maira B; Leyva-Porras, César; Castañeda-Reyna, Iván E; Juárez-Ramírez, Isaías; Solans, Conxita; Sánchez-Domínguez, Margarita

2016-06-16

Cerium oxide and mixed Cu/Ce oxide nanoparticles were prepared by the oil-in-water (O/W) microemulsion reaction method in mild conditions. The Cu/Ce molar ratio was varied between 0/100 and 50/50. According to X-ray diffraction (XRD), below 30/70 Cu/Ce molar ratio, the materials presented a single phase consistent with cubic fluorite CeO₂. However, above Cu/Ce molar ratio 30/70, an excess monoclinic CuO phase in coexistence with the predominant Cu/Ce mixed oxide was detected by XRD and High-Resolution Transmission Electron Microscopy (HRTEM). Raman spectroscopy showed that oxygen vacancies increased significantly as the Cu content was increased. Band gap ( E g ) was investigated as a function of the Cu/Ce molar ratio, resulting in values from 2.91 eV for CeO₂ to 2.32 eV for the mixed oxide with 30/70 Cu/Ce molar ratio. These results indicate that below 30/70 Cu/Ce molar ratio, Cu 2+ is at least partially incorporated into the ceria lattice and very well dispersed in general. In addition, the photodegradation of Indigo Carmine dye under visible light irradiation was explored for selected samples; it was shown that these materials can remove such contaminants, either by adsorption and/or photodegradation. The results obtained will encourage investigation into the optical and photocatalytic properties of these mixed oxides, for widening their potential applications.

Synthesis of Mixed Cu/Ce Oxide Nanoparticles by the Oil-in-Water Microemulsion Reaction Method

PubMed Central

Pemartin-Biernath, Kelly; Vela-González, Andrea V.; Moreno-Trejo, Maira B.; Leyva-Porras, César; Castañeda-Reyna, Iván E.; Juárez-Ramírez, Isaías; Solans, Conxita; Sánchez-Domínguez, Margarita

2016-01-01

Cerium oxide and mixed Cu/Ce oxide nanoparticles were prepared by the oil-in-water (O/W) microemulsion reaction method in mild conditions. The Cu/Ce molar ratio was varied between 0/100 and 50/50. According to X-ray diffraction (XRD), below 30/70 Cu/Ce molar ratio, the materials presented a single phase consistent with cubic fluorite CeO2. However, above Cu/Ce molar ratio 30/70, an excess monoclinic CuO phase in coexistence with the predominant Cu/Ce mixed oxide was detected by XRD and High-Resolution Transmission Electron Microscopy (HRTEM). Raman spectroscopy showed that oxygen vacancies increased significantly as the Cu content was increased. Band gap (Eg) was investigated as a function of the Cu/Ce molar ratio, resulting in values from 2.91 eV for CeO2 to 2.32 eV for the mixed oxide with 30/70 Cu/Ce molar ratio. These results indicate that below 30/70 Cu/Ce molar ratio, Cu2+ is at least partially incorporated into the ceria lattice and very well dispersed in general. In addition, the photodegradation of Indigo Carmine dye under visible light irradiation was explored for selected samples; it was shown that these materials can remove such contaminants, either by adsorption and/or photodegradation. The results obtained will encourage investigation into the optical and photocatalytic properties of these mixed oxides, for widening their potential applications. PMID:28773602

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

PubMed

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C; Joyce, Kevin P; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing ([Formula: see text] for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining [Formula: see text] compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to [Formula: see text]. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple [Formula: see text] correction improved agreement with experiment from [Formula: see text] to [Formula: see text], despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling

NASA Astrophysics Data System (ADS)

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C.; Joyce, Kevin P.; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing (R=0.98 for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining R=0.73 compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to R=0.93. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple pK_{ {a}} correction improved agreement with experiment from R=0.54 to R=0.66, despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

Composition and stability of complexes of maleic and succinic acids with Cu2+ ions in water-ethanol solutions at 298 K

NASA Astrophysics Data System (ADS)

Tukumova, N. V.; Usacheva, T. R.; Thuan, Tran Thi Dieu; Sharnin, V. A.

2014-10-01

The composition and stability of coordination compounds of the anions of maleic (H2L) and succinic (H2Y) acids with copper(II) ions in water-ethanol solutions is studied by means of potentiometric titration at a sodium perchlorate ionic strength of 0.1 and a temperature of 298.15 K. The composition of the water-ethanol solvent was varied from 0 to 0.7 molar parts of ethanol for maleic acid and from 0 to 0.4 molar parts for succinic acid. The stability of monoligand complexes of copper ions with the anions of maleic and succinic acids grows with increase of ethanol concentration from 3.86 to 6.62 for logβCuL and from 2.98 to 6.01 for logβCuY. It is shown that a monotonic rise in stability upon an increase in the content of ethanol in solution is observed, while the values of logβCuL change more sharply. The succinic acid anion forms a stronger complex with copper ions than maleic acid anions do at an ethanol content of 0.4 molar parts. The possibility of the formation of a protonated CuHY+ particle is established.

Differential molar heat capacities to test ideal solubility estimations.

PubMed

Neau, S H; Bhandarkar, S V; Hellmuth, E W

1997-05-01

Calculation of the ideal solubility of a crystalline solute in a liquid solvent requires knowledge of the difference in the molar heat capacity at constant pressure of the solid and the supercooled liquid forms of the solute, delta Cp. Since this parameter is not usually known, two assumptions have been used to simplify the expression. The first is that delta Cp can be considered equal to zero; the alternate assumption is that the molar entropy of fusion, delta Sf, is an estimate of delta Cp. Reports claiming the superiority of one assumption over the other, on the basis of calculations done using experimentally determined parameters, have appeared in the literature. The validity of the assumptions in predicting the ideal solubility of five structurally unrelated compounds of pharmaceutical interest, with melting points in the range 420 to 470 K, was evaluated in this study. Solid and liquid heat capacities of each compound near its melting point were determined using differential scanning calorimetry. Linear equations describing the heat capacities were extrapolated to the melting point to generate the differential molar heat capacity. Linear data were obtained for both crystal and liquid heat capacities of sample and test compounds. For each sample, ideal solubility at 298 K was calculated and compared to the two estimates generated using literature equations based on the differential molar heat capacity assumptions. For the compounds studied, delta Cp was not negligible and was closer to delta Sf than to zero. However, neither of the two assumptions was valid for accurately estimating the ideal solubility as given by the full equation.

Synthesis, characterization and optical studies of conjugated Schiff base polymer containing thieno[3,2-b]thiophene and 1,2,4-triazole groups

NASA Astrophysics Data System (ADS)

Cetin, Adnan; Korkmaz, Adem; Kaya, Esin

2018-02-01

A conjugated polyschiff base (poly(N-thieno[3,2-b]thiophen-2-yl)methylene)-1H-1,2,4-triazol-5-amine) poly(TTMA)) was synthesized by condensation polymerization between thieno[3,2-b]thiophene-2,5-dicarboxaldehyde and 3,5-diamino-1,2,4-triazole. The poly(TTMA) was characterized by FT-IR, 1H NMR, 13C NMR spectra and thermal analysis. The number average molecular weight (Mn) and polydispersity index of the poly(TTMA) were determined by gel permeation chromatography (GPC). In addition, the optical properties of the poly(TTMA) solutions were investigated at different molarities. The band gap Eg value of the poly(TTMA) decreased with the increasing molarity. The absorption band edge values of the poly(TTMA) decreased as the molarity increased. The average transmittance values of the poly(TTMA) increased with the increasing molarity and the highest values of molar extinction coefficient also were found in the near ultraviolet region. Its values decreased with the increasing molarity. These results showed that the poly(TTMA) can be used for the fabrication of many optoelectronic devices due to its suitable optical properties and low optical band gap.

Calcium-dependent stoichiometries of the KCa2.2 (SK) intracellular domain/calmodulin complex in solution

PubMed Central

Halling, D. Brent; Kenrick, Sophia A.; Riggs, Austen F.

2014-01-01

Ca2+ activates SK Ca2+-activated K+ channels through the protein Ca2+ sensor, calmodulin (CaM). To understand how SK channels operate, it is necessary to determine how Ca2+ regulates CaM binding to its target on SK. Tagless, recombinant SK peptide (SKp), was purified for binding studies with CaM at low and high Ca2+ concentrations. Composition gradient multi-angle light scattering accurately measures the molar mass, stoichiometry, and affinity of protein complexes. In 2 mM Ca2+, SKp and CaM bind with three different stoichiometries that depend on the molar ratio of SKp:CaM in solution. These complexes include 28 kD 1SKp/1CaM, 39 kD 2SKp/1CaM, and 44 kD 1SKp/2CaM. A 2SKp/2CaM complex, observed in prior crystallographic studies, is absent. At <5 nM Ca2+, 1SKp/1CaM and 2SKp/1CaM were observed; however, 1SKp/2CaM was absent. Analytical ultracentrifugation was used to characterize the physical properties of the three SKp/CaM stoichiometries. In high Ca2+, the sedimentation coefficient is smaller for a 1SKp:1CaM solution than it is for either 2SKp:1CaM or 1SKp:2CaM. At low Ca2+ and at >100 µM protein concentrations, a molar excess of SKp over CaM causes aggregation. Aggregation is not observed in Ca2+ or with CaM in molar excess. In low Ca2+ both 1SKp:1CaM and 1SKp:2CaM solutions have similar sedimentation coefficients, which is consistent with the absence of a 1SKp/2CaM complex in low Ca2+. These results suggest that complexes with stoichiometries other than 2SKp/2CaM are important in gating. PMID:24420768

Calcium-dependent stoichiometries of the KCa2.2 (SK) intracellular domain/calmodulin complex in solution.

PubMed

Halling, D Brent; Kenrick, Sophia A; Riggs, Austen F; Aldrich, Richard W

2014-02-01

Ca(2+) activates SK Ca(2+)-activated K(+) channels through the protein Ca(2+) sensor, calmodulin (CaM). To understand how SK channels operate, it is necessary to determine how Ca(2+) regulates CaM binding to its target on SK. Tagless, recombinant SK peptide (SKp), was purified for binding studies with CaM at low and high Ca(2+) concentrations. Composition gradient multi-angle light scattering accurately measures the molar mass, stoichiometry, and affinity of protein complexes. In 2 mM Ca(2+), SKp and CaM bind with three different stoichiometries that depend on the molar ratio of SKp:CaM in solution. These complexes include 28 kD 1SKp/1CaM, 39 kD 2SKp/1CaM, and 44 kD 1SKp/2CaM. A 2SKp/2CaM complex, observed in prior crystallographic studies, is absent. At <5 nM Ca(2+), 1SKp/1CaM and 2SKp/1CaM were observed; however, 1SKp/2CaM was absent. Analytical ultracentrifugation was used to characterize the physical properties of the three SKp/CaM stoichiometries. In high Ca(2+), the sedimentation coefficient is smaller for a 1SKp:1CaM solution than it is for either 2SKp:1CaM or 1SKp:2CaM. At low Ca(2+) and at >100 µM protein concentrations, a molar excess of SKp over CaM causes aggregation. Aggregation is not observed in Ca(2+) or with CaM in molar excess. In low Ca(2+) both 1SKp:1CaM and 1SKp:2CaM solutions have similar sedimentation coefficients, which is consistent with the absence of a 1SKp/2CaM complex in low Ca(2+). These results suggest that complexes with stoichiometries other than 2SKp/2CaM are important in gating.

SALT EFFECTS ON SWARMERS OF DUNALIELLA VIRIDIS TEOD

PubMed Central

Baas-Becking, L. G. M.

1931-01-01

1. Dunaliella viridis Teodoresco thrives equally well in solutions of NaCl 1 to 4 mol and pH 6 to 9. 2. The organism is sensitive to calcium and magnesium, especially in acid medium. 3. Calcium and magnesium are antagonistic. In a molar solution of NaCl the antagonistic relation Mg:Ca is 4 to 5. In a 4 molar solution of NaCl the proportion becomes many times as great (20:1). 4. Although the strains used in this investigation did not occur in sea water concentrates, the increase in the antagonistic ratio Mg:Ca in which they can live closely paralleled the changes in this ratio which take place when sea water evaporates. 5. The other organisms which occurred in the cultures each show a specific relation to Ca and Mg. 6. The size of the cells of Dunaliella does not decrease with increasing NaCl content. PMID:19872621

On the hydrophilicity of polyzwitterion poly (N,N-dimethyl-N-(3-(methacrylamido)propyl)ammoniopropane sulfonate) in water, deuterated water, and aqueous salt solutions.

PubMed

Hildebrand, Viet; Laschewsky, André; Zehm, Daniel

2014-01-01

A series of zwitterionic model polymers with defined molar masses up to 150,000 Da and defined end groups are prepared from sulfobetaine monomer N,N-dimethyl-N-(3-(methacrylamido)propyl)ammoniopropanesulfonate (SPP). Polymers are synthesized by reversible addition-fragmentation chain transfer polymerization (RAFT) using a functional chain transfer agent labeled with a fluorescent probe. Their upper critical solution temperature-type coil-to-globule phase transition in water, deuterated water, and various salt solutions is studied by turbidimetry. Cloud points increase with polyzwitterion concentration and molar mass, being considerably higher in D2O than in H2O. Moreover, cloud points are strongly affected by the amount and nature of added salts. Typically, they increase with increasing salt concentration up to a maximum value, whereas further addition of salt lowers the cloud points again, mostly down to below freezing point. The different salting-in and salting-out effects of the studied anions can be correlated with the Hofmeister series. In physiological sodium chloride solution and in phosphate buffered saline (PBS), the cloud point is suppressed even for high molar mass samples. Accordingly, SPP-polymers behave strongly hydrophilic under most conditions encountered in biomedical applications. However, the direct transfer of results from model studies in D2O, using, e.g. (1)H NMR or neutron scattering techniques, to 'normal' systems in H2O is not obvious.

Molecular interactions and structures in ethylene glycol-ethanol and ethylene glycol-water solutions at 303 K on densities, viscosities, and refractive indices data

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Ghatbandhe, A. S.

2014-01-01

Molecular interactions and structural fittings in binary ethylene glycol + ethanol (EGE, x EG = 0.4111-0.0418) and ethylene glycol + water (EGW, x EG = 0.1771-0.0133) mixtures were studied through the measurement of densities (ρ), viscosities (η), and refractive indices ( n D ) at 303.15 K. Excess viscosities (η E ), molar volumes ( V m ), excess molar volumes ( V {/m E }), and molar retractions ( R M ) of the both binary systems were computed from measured properties. The measured and computed properties have been used to understand the molecular interactions in unlike solvents and structural fittings in these binary mixtures.

Clinical study of Mineral Trioxide Aggregate in primary molars. Comparison between Grey and White MTA--a long term follow-up (84 months).

PubMed

Cardoso-Silva, Cristina; Barbería, Elena; Maroto, Myriam; García-Godoy, Franklin

2011-02-01

The aim of the present study was to conduct a clinical and radiographic long-term evaluation of pulpotomy in temporary molars performed with Grey and White Mineral Trioxide Aggregate (MTA) and compare the results of Grey and White MTA pulpotomies in a sample of 233 primary molars with a maximum follow-up period of 84 months. The sample was selected from patients treated at the Department of Pediatric Dentistry, Faculty of Dentistry, Complutense University of Madrid, Spain. This prospective study included first and second primary molars treated with pulpotomy with Grey or White MTA, controlled for a maximum follow-up period of 84 months. Statistical analysis of clinical and radiographic findings was completed using ANOVA (P<0.05). Follow-up evaluations, performed every 6 months, revealed that only 2 molars treated with White MTA presented abscess and pathological mobility. Radiographic examination of the 210 molars revealed unfavourable pulp response in only 6 molars (internal or furcation root resorption), without statistically significant differences between Grey and White MTA. Two radiological findings were noticed: dentine bridge formation and partial or total root canal stenosis. Grey MTA induced a higher percentage of dentine bridges with statistically significant differences (P<0.05), and a higher percentage of pulp canal stenosis, without a statistically significant difference. Grey and White MTA presented high levels of clinical and radiographic success. Although the present study showed evidence of a very good biologic response with both types of MTA, Grey MTA showed significantly higher number of dentine bridge formation than White MTA. Copyright © 2010 Elsevier Ltd. All rights reserved.

Fe(III) and Fe(II) induced photodegradation of nonylphenol polyethoxylate (NPEO) oligomer in aqueous solution and toxicity evaluation of the irradiated solution.

PubMed

Wang, Lei; Zhang, Junjie; Duan, Zhenghua; Sun, Hongwen

2017-06-01

Photodegradation of nonylphenol tri-ethoxylate (NPEO 3 ) in aqueous solution, and the effects of Fe(III) or Fe(II) were studied. The increasing degradation kinetics of NPEO 3 were observed when 500µM Fe(III) or Fe(II) was present in the solutions. Altered formation of NPEO oligomers with shorter EO chains, including nonyphenol (NP), NPEO 1 and NPEO 2 , was observed in water and in solutions containing Fe(III) or Fe(II). The molar percentage yields of NP and NPEO 1,2 production from NPEO 3 photodegradation were approximately 20% in NPEO 3 solution, while NPEO 3 solution with Fe(III), this percentage increased to approximately 50%. In solution with Fe(II), the molar balance between the photodegradation of NPEO 3 and the production of NP and NPEO 1,2 was observed. A luminescent bacterium, Vibrio fischeri, was used to identify changes in the toxicity of NPEO 3 solutions during the photodegradation process under different conditions, while dose addition (DA) model was used to estimate the toxicity of products. Toxicity of NPEO 3 /water solution increased significantly following the irradiation of UVA/UVB mixture. In contrast, obviously decreasing toxicity was observed when NPEO 3 underwent photodegradation in the presence of Fe(III). Copyright © 2017. Published by Elsevier Inc.

Reduction of mixed Mn-Zr oxides: in situ XPS and XRD studies.

PubMed

Bulavchenko, O A; Vinokurov, Z S; Afonasenko, T N; Tsyrul'nikov, P G; Tsybulya, S V; Saraev, A A; Kaichev, V V

2015-09-21

A series of mixed Mn-Zr oxides with different molar ratios Mn/Zr (0.1-9) have been prepared by coprecipitation of manganese and zirconium nitrates and characterized by X-ray diffraction (XRD) and BET methods. It has been found that at concentrations of Mn below 30 at%, the samples are single-phase solid solutions (MnxZr1-xO2-δ) based on a ZrO2 structure. X-ray photoelectron spectroscopy (XPS) measurements showed that manganese in these solutions exists mainly in the Mn(4+) state on the surface. An increase in Mn content mostly leads to an increase in the number of Mn cations in the structure of solid solutions; however, a part of the manganese cations form Mn2O3 and Mn3O4 in the crystalline and amorphous states. The reduction of these oxides with hydrogen was studied by a temperature-programmed reduction technique, in situ XRD, and near ambient pressure XPS in the temperature range from 100 to 650 °C. It was shown that the reduction of the solid solutions MnxZr1-xO2-δ proceeds via two stages. During the first stage, at temperatures between 100 and 500 °C, the Mn cations incorporated into the solid solutions MnxZr1-xO2-δ undergo partial reduction. During the second stage, at temperatures between 500 and 700 °C, Mn cations segregate on the surface of the solid solution. In the samples with more than 30 at% Mn, the reduction of manganese oxides was observed: Mn2O3 → Mn3O4 → MnO.

Effect of confinement in nano-porous materials on the solubility of a supercritical gas

NASA Astrophysics Data System (ADS)

Hu, Yaofeng; Huang, Liangliang; Zhao, Shuangliang; Liu, Honglai; Gubbins, Keith E.

2016-11-01

By combining Gibbs Ensemble Monte Carlo simulations and density functional theory, we investigate the influence of confinement in a slit-shaped carbon pore on the solubility of a supercritical solute gas in a liquid solvent. In the cases studied here, competing adsorption of the solvent and solute determines whether the solubility is enhanced or suppressed for larger pores. We find that the solubility in the confined system is strongly dependent on pore width, and that molecular packing effects are important for small pore widths. In addition, the solubility decreases on increase in the temperature, as for the bulk mixture, but the rate of decrease is greater in the pore due to a decrease in the partial molar enthalpy of the solute in the pore; this effect becomes greater as pore width is decreased. The solubility is increased on increasing the bulk pressure of the gas in equilibrium with the pore, and obeys Henry's law at lower pressures. However, the Henry constant differs significantly from that for the bulk mixture, and the range of pressure over which Henry's law applies is reduced relative to that for the bulk mixture. The latter observation indicates that solute-solute interactions become more important in the pore than for the bulk at a given bulk pressure. Finally, we note that different authors use different definitions of the solubility in pores, leading to some confusion over the reported phenomenon of 'oversolubility'. We recommend that solubility be defined as the overall mole fraction of solute in the pores, since it takes into account the increase in density of the solvent in the pores, and avoids ambiguity in the definition of the pore volume.

Impact of the lower third molar presence and position on the fragility of mandibular angle and condyle: A Three-dimensional finite element study.

PubMed

Antic, Svetlana; Vukicevic, Arso M; Milasinovic, Marko; Saveljic, Igor; Jovicic, Gordana; Filipovic, Nenad; Rakocevic, Zoran; Djuric, Marija

2015-07-01

The aim of the present study was to investigate the influences of the presence and position of a lower third molar (M3) on the fragility of mandibular angle and condyle, using finite element analysis. From computed tomographic scans of a human mandible with normally erupted M3, two additional virtual models were generated: a mandibular model with partially impacted M3 and a model without M3. Two cases of impact were considered: a frontal and a lateral blow. The results are based on the chromatic analysis of the distributed von Mises and principal stresses, and calculation of their failure indices. In the frontal blow, the angle region showed the highest stress in the case with partially impacted M3, and the condylar region in the case without M3. Compressive stresses were dominant but caused no failure. Tensile stresses were recorded in the retromolar areas, but caused failure only in the case with partially impacted M3. In the lateral blow, the stress concentrated at the point of impact, in the ipsilateral and contralateral angle and condylar regions. The highest stresses were recorded in the case with partially impacted M3. Tensile stresses caused the failure on the ipsilateral side, whereas compressive stresses on the contralateral side. Copyright © 2015 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Ammonium Nitrogen Removal from Urea Fertilizer Plant Wastewater via Struvite Crystal Production

NASA Astrophysics Data System (ADS)

Machdar, I.; Depari, S. D.; Ulfa, R.; Muhammad, S.; Hisbullah, A. B.; Safrul, W.

2018-05-01

Elimination of ammonium concentration from urea fertilizer plant wastewater through struvite crystal (NH4MgPO4.6H2O) formation by adding MgCl2, KH2PO4, and KOH were studied. This method of elimination has two benefits, namely, reducing ammonium nitrogen content in the wastewater, as well as production of a valuable material (struvite crystal). Struvite is known as a slow-release fertilizer and less soluble. This report presents the ammonium removal efficiencies during struvite formation. The growth of struvite production under different molar ratios of Mg2+:NH4 +:PO4 3- and solution pH is also discussed. To find the efficiencies and measure the growth rates, lab-scale experiments were conducted in a batch crystallizer-reactor. SEM, XRD, and FTIR observation were also applied to investigate the characteristics of struvite. The reactant molar ratios of Mg2+:NH4 +:PO4 3- of 1.2:1:1, 1:1:1.2, and 1:1:1 were evaluated. Each of the molar ratios was treated at the solution pH of 8, 9, and 10. It was found that, the highest ammonium removal efficiency was 94.7% at the molar ratio of 1.2:1:1 and pH of 9. Primarily, the growth rate of struvite formation complied with a first-order kinetic model. The rate constants (k1) were calculated to be 2.6, 4.3, and 5.0 h-1 for solution pH of 8, 9, and 10, respectively. The findings of the study provide suggestion for an alternative sustainable recovery of ammonium nitrogen content in a urea fertilizer plant effluent.

Anesthetic efficacy and heart rate effects of the supplemental intraosseous injection of 2% mepivacaine with 1:20,000 levonordefrin.

PubMed

Guglielmo, A; Reader, A; Nist, R; Beck, M; Weaver, J

1999-03-01

The purpose of this study was to determine the anesthetic efficacy and heart rate effects of a supplemental intraosseous injection of 2% mepivacaine with 1:20,000 levonordefrin. Through use of a repeated-measures design, 40 subjects randomly received 3 combinations of injections at 3 separate appointments. The combinations were as follows: inferior alveolar nerve (IAN) block (with 3% mepivacaine) + intraosseous injection of 1.8 mL of 2% mepivacaine with 1:20,000 levonordefrin; IAN block + intraosseous injection of 1.8 mL of 2% lidocaine with 1:100,000 epinephrine (positive control); IAN block + mock intraosseous injection (negative control). Each first molar, second molar, and second premolar was blindly tested with a pulp tester at 2-minute cycles for 60 minutes after injection. Anesthesia was considered successful when 2 consecutive readings of 80 were obtained. Heart rate (pulse rate) was measured with a pulse oximeter. One hundred percent of the subjects had lip numbness with the IAN block + intraosseous mock technique and IAN block + intraosseous techniques. The anesthetic success rates for IAN block + mock intraosseous injection, IAN block + intraosseous lidocaine, and IAN block + intraosseous mepivacaine, respectively, were as follows: 80%, 100%, and 100% for the first molar; 90%, 100%, and 100% for the second molar; 77%, 97%, and 97% for the second premolar. For the first molar and second premolar, the differences were significant (P< .05) when the intraosseous mepivacaine and lidocaine techniques were compared with the IAN block + mock intraosseous injection. There were no significant differences between the intraosseous mepivacaine and lidocaine techniques. Eighty percent of the subjects had a mean increase in heart rate of 23-24 beats per minute with the intraosseous injection of the mepivacaine and lidocaine solutions; there were no significant differences between results with the 2 solutions. We concluded that intraosseous injection of 1.8 mL of 2% lidocaine with 1:100,000 epinephrine or 2% mepivacaine with 1:20,000 levonordefrin, used to supplement an IAN block, significantly increased anesthetic success in first molars and second premolars. The 2 solutions were equivalent with regard to intraosseous anesthetic success rate, failure rate, and heart rate increase after IAN block.

Method for improved decomposition of metal nitrate solutions

DOEpatents

Haas, P.A.; Stines, W.B.

1981-01-21

A method for co-conversion of aqueous solutions of one or more heavy metal nitrates is described, wherein thermal decomposition within a temperature range of about 300 to 800/sup 0/C is carried out in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal.

Method for improved decomposition of metal nitrate solutions

DOEpatents

Haas, Paul A.; Stines, William B.

1983-10-11

A method for co-conversion of aqueous solutions of one or more heavy metal nitrates wherein thermal decomposition within a temperature range of about 300.degree. to 800.degree. C. is carried out in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal.

Controlling of the optical properties of the solutions of the PTCDI-C8 organic semiconductor

NASA Astrophysics Data System (ADS)

Erdoğan, Erman; Gündüz, Bayram

2016-09-01

N,N'-Dioctyl-3,4,9,10 perylenedicarboximide (PTCDI-C8) organic semiconductor have vast applications in solar cells, thermoelectric generators, thin film photovoltaics and many other optoelectronic devices. These applications of the materials are based on their spectral and optical properties. The solutions of the PTCDI-C8 for different molarities were prepared and the spectral and optical mesaurements were analyzed. Effects of the molarities on optical properties were investigated. Vibronic structure has been observed based on the absorption bands of PTCDI-C8 semiconductor with seven peaks at 2.292, 2.451, 2.616, 3.212, 3.851, 4.477 and 4.733 eV. The important spectral parameteres such as molar/mass extinction coefficients, absorption coefficient of the PTCDI-C8 molecule were calculated. Optical properties such as angle of incidence/refraction, optical band gap, real and imaginary parts of dielectric constant, loss factor and electrical susceptibility of the the PTCDI-C8 were obtained. Finally, we discussed these parameters for optoelectronic applications and compared with related parameters in literature.

Thermal and volumetric properties of complex aqueous electrolyte solutions using the Pitzer formalism - The PhreeSCALE code

NASA Astrophysics Data System (ADS)

Lach, Adeline; Boulahya, Faïza; André, Laurent; Lassin, Arnault; Azaroual, Mohamed; Serin, Jean-Paul; Cézac, Pierre

2016-07-01

The thermal and volumetric properties of complex aqueous solutions are described according to the Pitzer equation, explicitly taking into account the speciation in the aqueous solutions. The thermal properties are the apparent relative molar enthalpy (Lϕ) and the apparent molar heat capacity (Cp,ϕ). The volumetric property is the apparent molar volume (Vϕ). Equations describing these properties are obtained from the temperature or pressure derivatives of the excess Gibbs energy and make it possible to calculate the dilution enthalpy (∆HD), the heat capacity (cp) and the density (ρ) of aqueous solutions up to high concentrations. Their implementation in PHREEQC V.3 (Parkhurst and Appelo, 2013) is described and has led to a new numerical tool, called PhreeSCALE. It was tested first, using a set of parameters (specific interaction parameters and standard properties) from the literature for two binary systems (Na2SO4-H2O and MgSO4-H2O), for the quaternary K-Na-Cl-SO4 system (heat capacity only) and for the Na-K-Ca-Mg-Cl-SO4-HCO3 system (density only). The results obtained with PhreeSCALE are in agreement with the literature data when the same standard solution heat capacity (Cp0) and volume (V0) values are used. For further applications of this improved computation tool, these standard solution properties were calculated independently, using the Helgeson-Kirkham-Flowers (HKF) equations. By using this kind of approach, most of the Pitzer interaction parameters coming from literature become obsolete since they are not coherent with the standard properties calculated according to the HKF formalism. Consequently a new set of interaction parameters must be determined. This approach was successfully applied to the Na2SO4-H2O and MgSO4-H2O binary systems, providing a new set of optimized interaction parameters, consistent with the standard solution properties derived from the HKF equations.

The Partial Molar Volume and Thermal Expansivity of Fe2O3 in Alkali Silicate Liquids: Evidence for the Average Coordination of Fe3+

NASA Astrophysics Data System (ADS)

Liu, Q.; Lange, R.

2003-12-01

Ferric iron is an important component in magmatic liquids, especially in those formed at subduction zones. Although it has long been known that Fe3+ occurs in four-, five- and six-fold coordination in crystalline compounds, only recently have all three Fe3+ coordination sites been confirmed in silicate glasses utilizing XANES spectroscopy at the Fe K-edge (Farges et al., 2003). Because the density of a magmatic liquid is largely determined by the geometrical packing of its network-forming cations (e.g., Si4+, Al3+, Ti4+, and Fe3+), the capacity of Fe3+ to undergo composition-induced coordination change affects the partial molar volume of the Fe2O3 component, which must be known to calculate how the ferric-ferrous ratio in magmatic liquids changes with pressure. Previous work has shown that the partial molar volume of Fe2O3 (VFe2O3) varies between calcic vs. sodic silicate melts (Mo et al., 1982; Dingwell and Brearley, 1988; Dingwell et al., 1988). The purpose of this study is to extend the data set in order to search for systematic variations in VFe2O3 with melt composition. High temperature (867-1534° C) density measurements were performed on eleven liquids in the Na2O-Fe2O3-FeO-SiO2 (NFS) system and five liquids in the K2O-Fe2O3-FeO-SiO2 (KFS) system using Pt double-bob Archimedean method. The ferric-ferrous ratio in the sodic and potassic liquids at each temperature of density measurement were calculated from the experimentally calibrated models of Lange and Carmichael (1989) and Tangeman et al. (2001) respectively. Compositions range (in mol%) from 4-18 Fe2O3, 0-3 FeO, 12-39 Na2O, 25-37 K2O, and 43-78 SiO2. Our density data are consistent with those of Dingwell et al. (1988) on similar sodic liquids. Our results indicate that for all five KFS liquids and for eight of eleven NFS liquids, the partial molar volume of the Fe2O3 component is a constant (41.57 ñ 0.14 cm3/mol) and exhibits zero thermal expansivity (similar to that for the SiO2 component). This value was obtained in a fit to a linear volume equation in which the other oxide components have the following fitted partial molar volumes (cm3/mol) at 1100° C: SiO2 = 26.85+/-0.04, Na2O = 26.57+/-0.07, K2O = 42.34+/-0.10, and FeO = 12.84+/-0.28, and the following fitted fitted partial molar thermal expansivities (10-3 cm3/mol-K): Na2O = 7.73+/-0.12, K2O = 11.99+/-0.24, and FeO = 2.88+/-1.22. For the three sodic liquids not included in this regression, the most iron-rich (18.2 mol% Fe2O3) has a value for VFe2O3 of 44.1 cm3/mole, whereas the most iron-poor (4.4 mol% Fe2O3) has a value for VFe2O3 of 37.0 cm3/mole. This trend may reflect a greater proportion of four-fold ferric iron in iron-rich liquids, which mirrors the trend of increasing ferric-ferrous ratios in sodic liquids as a function of total iron content (Lange and Carmichael, 1989). The most polymerized liquid in our data set was a sodic liquid that has a value for VFe2O3 of 45.0 cm3/mole. It thus appears that most (13 of 16) of our experimental liquids, which span a wide compositional range, lead to a VFe2O3 (41.6 cm3/mol) which is constant with composition and temperature. However, there are three important outliers that may have implications for the appropriate value to apply to magmatic liquids.

Observational: prospective study of indirect pulp treatment in primary molars using resin-modified glass ionomer and 2% chlorhexidine gluconate: a 12-month Follow-up.

PubMed

Rosenberg, Linda; Atar, Michael; Daronch, Marcia; Honig, Amy; Chey, Marshall; Funny, Margaret D; Cruz, Luis

2013-01-01

This study's purpose was to determine the efficacy of indirect pulp treatment (IPT) in primary molars when using 2% chlorhexidine gluconate disinfecting solution and resin-modified glass ionomer (RMGI) liner after 12 months. Three- to 10-year-old subjects with deep carious lesions who met selection criteria participated. Infected dentin was removed using a caries detector, and residual affected dentin was left on the pulpal floor to prevent pulp exposure. A 2% chlorhexidine gluconate solution and a RMGI liner were placed. Teeth were restored with composite or full-coverage (stainless steel crown [SSC]) restorations. Follow-up evaluations at 3, 6, and 12 months included clinical, radiographic, and photographic assessments. A total of 60 teeth were treated. Treatment was successful in 50/50 (100%), 41/42 (∼98%), and 31/32 (∼97%) teeth at the 3-, 6-, and 12-month follow-up visits, respectively. Failures included one at 6 months in a primary second molar with a composite restoration and another at 12 months in a primary first molar with a SSC. Indirect pulp treatment is effective in primary teeth, although appropriate case selection and an adequate marginal seal are essential for a successful outcome. Further prospective studies are needed to expand the body of evidence that clinicians use to justify decisions on clinical care.

Volume of reaction by the Archibald ultracentrifuge method (lobster hemocyanin).

PubMed

Saxena, V P; Kegeles, G; Kikas, R

1976-07-01

Samples of lobster hemocyanin (Homarus americanus) under conditions of reversible reaction between whole (25 S) and half (17 S) molecules have been subjected to accurately known nitrogen pressures in analytical ultracentrifuge cells. A modified pressurization chamber of the type developed by Schumaker and colleagues has been constructed for this purpose. The molecular weight was then determined at the top (liquid-gas) meniscus, by means of the Archibald method. The logarithmic dependence upon pressure of the derived equilibrium constant then gave directly the volume of reaction. Experiments were performed in veronal-citrate buffers at pH 8, where the molar volume of formation of whole (dodecameric) molecules from half molecules appears to be negative, and at pH 8.46 in veronal-citrate buffer in the presence of 0.003 molar free calcium ion, where the molar volume of formation was estimated to be + 390 cm3/mole. In glycine-sodium hydroxide buffer at pH 9.6 containing 0.0047 molar free calcium, the molar volume of formation of whole molecules was estimated to be +120 +/- 70 cm3, corresponding to an estimated difference in partial specific volume between whole molecules and half molecules of only 1.3 (10)-4cm3/gram. The correctness of the sign of this value in glycine buffer has been verified by pressure-jump light-scattering experiments.

Interaction of the dietary pigment curcumin with hemoglobin: energetics of the complexation.

PubMed

Basu, Anirban; Kumar, Gopinatha Suresh

2014-08-01

Thermodynamics of the interaction of the chemotherapeutic and chemopreventive dietary pigment, curcumin, with hemoglobin was studied by isothermal titration calorimetry. The binding was characterized to be exothermic. At 293.15 K, the equilibrium constant for curcumin-Hb complexation was found to be (4.88 ± 0.06) × 10(5) M(-1). The binding stoichiometry was calculated to be 1.08 ± 0.05, confirming a 1:1 complexation. The binding was driven by a large negative standard molar enthalpy change (ΔH(0) = -118.45 ± 0.05 kJ mol(-1)) and an unfavorable standard molar entropy change (TΔS(0) = -86.53 ± 0.01 kJ mol(-1)) at 293.15 K. Increasing the temperature favoured the binding, and the magnitude of the negative standard molar heat capacity change suggested the involvement of significant hydrophobic forces in the binding process. With increasing salt concentration, the magnitude of the equilibrium constant decreased slightly; and the complexation mostly involved non-polyelectrolytic forces contributing about 92-94% of the standard molar Gibbs energy change. DSC studies revealed that curcumin binding caused a partial unfolding of the protein.

[Effects of shortened mandibular dental arch on human brain activity during chewing: an fMRI study].

PubMed

Shoi, Kazuhito

2014-03-01

According to the shortened dental arch concept, missing molars should not always be restored with prosthetic treatment. A shortened dental arch with missing molars is associated with a decrease in masticatory function. However, it is not known whether a shortened dental arch influences brain activity during chewing. This study aimed to clarify the effect of posterior arch length of mandibular bilateral distal extension removable partial dentures (RPDs) on brain activity during chewing. Eleven subjects with bilaterally missing mandibular molars (mean age, 66.1 years) participated in the study. RPDs with full dental arch and shortened dental arch were fabricated and brain activity during gum chewing under each dental condition was measured using functional magnetic resonance imaging. Brain activation during gum chewing with the full dental arch was observed in the middle frontal gyrus, primary sensorimotor cortex extending to the premotor cortex, supplementary motor area, putamen, insula and cerebellum. However, activation of the middle frontal gyrus was not observed during gum chewing with the shortened dental arch. The results of this study suggest that human brain activity during chewing in the middle frontal gyrus may be associated with chewing in the presence of the molar region.

Evolutions and equilibrium parameters of foam films from individual solutions of Bovine serum albumin, n-dodecyl-β-D-maltoside and from their mixed solutions

NASA Astrophysics Data System (ADS)

Gerasimova, Anelia Tsvetanova; Angarska, Jana Krumova; Tachev, Krasimir Dimov

2017-03-01

The evolutions of thinning of films from individual solutions of BSA, C12G2 and from their mixed solutions with molar ratios 1:1, 1:7.5, 1:50 and 1:100 with pH = 4.9 were recorded by modified (with video camera) interferometric method. Based on them the stages through which the film goes from its formation to the equilibrium state were distinguished. It was shown that: (i) the difference between the kinetic of drainage of films stabilized by high and low molecular surfactants is drastic; (ii) only the change of the pH solution under or above isoelectric point strongly retards the film drainage; (iii) the transition of the kinetic of thinning of films from mixed solutions from a kinetic typical for high molecular substances towards a kinetic for low substances depends on the molar ratio between the components in the solution. From the picture of film corresponding to its equilibrium state the type of film was determined. From the analysis of this picture the equilibrium thickness and contact angle were calculated. It was found that the criterion for Newtonium black films (based on the values of film thickness and contact angle) is not directly applicable for films from protein solutions or mixed solutions with the participation of proteins.

An in vitro assessment of type, position and incidence of isthmus in human permanent molars

PubMed Central

de LIMA, Fernando José Camello; MONTAGNER, Francisco; JACINTO, Rogério Castilho; AMBROSANO, Glaucia Maria Bovi; GOMES, Brenda Paula Figueiredo de Almeida

2014-01-01

Root canal anatomical complexities, such as isthmus, may limit the action of the endodontic instruments, irrigant solutions and intracanal medications, leading to endodontic treatment failure. Objectives This in vitro study assessed the type, position and incidence of isthmus in human permanent molars. Material and Methods One hundred and twenty eight upper and lower first and second permanent molars were analyzed. The roots were embedded in transparent resin, and then split at different distances from the apex (1.0-2.5-4.0-5.5-7.0 mm). Following the sample examination in stereomicroscope, the data were submitted to chi-square statistical test at a 5% significance level. Results The highest isthmus incidence was at 7.0 mm from the root apex in all samples, except the distal root of lower molars (at 5.5 mm). In upper and lower molars, type V (complete isthmus with a continuous opening between the two main root canals) was the most common classification of isthmus (28.8%). In the mesial root of first and second mandibular molars, type IV had the highest incidence (36% and 23.9%, respectively). Conclusion It was concluded that isthmus was widely found in flat roots, with a low percentage in areas close to the apex. In upper and lower molars, these structures were most frequently found at 7 mm from the apex. PMID:25141198

Roles of water in protein structure and function studied by molecular liquid theory.

PubMed

Imai, Takashi

2009-01-01

The roles of water in the structure and function of proteins have not been completely elucidated. Although molecular simulation has been widely used for the investigation of protein structure and function, it is not always useful for elucidating the roles of water because the effect of water ranges from atomic to thermodynamic level. The three-dimensional reference interaction site model (3D-RISM) theory, which is a statistical-mechanical theory of molecular liquids, can yield the solvation structure at the atomic level and calculate the thermodynamic quantities from the intermolecular potentials. In the last few years, the author and coworkers have succeeded in applying the 3D-RISM theory to protein aqueous solution systems and demonstrated that the theory is useful for investigating the roles of water. This article reviews some of the recent applications and findings, which are concerned with molecular recognition by protein, protein folding, and the partial molar volume of protein which is related to the pressure effect on protein.

Strains Around Abutment Teeth with Different Attachments Used for Implant-Assisted Distal Extension Partial Overdentures: An In Vitro Study.

PubMed

ELsyad, Moustafa Abdou; Omran, Abdelbaset Omar; Fouad, Mohammed Mohammed

2017-01-01

The aim of this study was to evaluate and compare strain around abutment teeth with different attachments used for implant-assisted distal extension partial overdentures (IADEPODs). A mandibular Kennedy class I acrylic model (remaining teeth from first premolar to first premolar) was constructed. A conventional partial denture was constructed over the model (control, group 1). Two laboratory implants were then placed bilaterally in the first molar areas parallel to each other and perpendicular to the residual ridge. Three additional experimental partial overdentures (PODs) were constructed and connected to the implants using ball (group 2), magnetic (group 3), and Locator (group 4) attachments. Three linear strain gauges were bonded buccal, lingual, and distal to the first premolar abutment tooth at the right (loading) and the left (nonloading) sides. For each group, a universal testing device was used to apply a unilateral vertical static load (50 N) on the first molar area, and the strain was recorded using a multichannel digital strainometer. Significant differences between groups and between sites of strain gauges were detected. Strains recorded for all groups were compressive (negative) in nature. Group 1 demonstrated the highest strain, followed by group 3 and group 4; group 2 recorded the lowest strain. For group 2, the highest strain was recoded at the lingual nonloading side. For group 1, group 3, and group 4, the highest strain was recorded at the buccal loading side. Within the limitation of the present study, ball attachments used to retain IADEPODs to the implants were associated with lower strains around abutment teeth than Locator and magnetic attachments. The highest strain was recorded with conventional partial dentures. © 2015 by the American College of Prosthodontists.

Anatomical analysis of the resected roots of mandibular first molars after failed non-surgical retreatment

PubMed Central

2018-01-01

Objectives Understanding the reason for an unsuccessful non-surgical endodontic treatment outcome, as well as the complex anatomy of the root canal system, is very important. This study examined the cross-sectional root canal structure of mandibular first molars confirmed to have failed non-surgical root canal treatment using digital images obtained during intentional replantation surgery, as well as the causative factors of the failed conventional endodontic treatments. Materials and Methods This study evaluated 115 mandibular first molars. Digital photographic images of the resected surface were taken at the apical 3 mm level and examined. The discolored dentin area around the root canal was investigated by measuring the total surface area, the treated areas as determined by the endodontic filling material, and the discolored dentin area. Results Forty 2-rooted teeth showed discolored root dentin in both the mesial and distal roots. Compared to the original filled area, significant expansion of root dentin discoloration was observed. Moreover, the mesial roots were significantly more discolored than the distal roots. Of the 115 molars, 92 had 2 roots. Among the mesial roots of the 2-rooted teeth, 95.7% of the roots had 2 canals and 79.4% had partial/complete isthmuses and/or accessory canals. Conclusions Dentin discoloration that was not visible on periapical radiographs and cone-beam computed tomography was frequently found in mandibular first molars that failed endodontic treatment. The complex anatomy of the mesial roots of the mandibular first molars is another reason for the failure of conventional endodontic treatment. PMID:29765897

Computing gas solubility in reservoir waters for environmental chemistry applications: the role of satellite observations

NASA Astrophysics Data System (ADS)

Rosa, R.; Lima, I.; Ramos, F.; Bambace, L.; Assireu, A.; Stech, J.; Novo, E.; Lorenzeti, L.

Atmospheric greenhouse gases concentration has increased during the past centuries basically due to biogenic and pyrogenic anthopogenic emissions Recent investigations have shown that gas emission methane as an important example from tropical hydroelectric reservoirs may comprise a considerable fraction of the total anthropogenic bulk In order to evaluate the concentration of gases of potential importance in environmental chemistry the solubility of such gases have been collected and converted into a uniform format using the Henry s law which states that the solubility of a gas in a liquid is directly proportional to its partial pressure However the Henry s law can be derived as a function of temperature density molar mixing ratio in the aqueous phase and molar mass of water In this paper we show that due to the complex temperature variation and water composition measured in brazilian tropical reservoirs as Serra da Mesa and Manso expressive secular variation on the traditional solubility constants concentration of a species in the aqueous phase by the partial pressure of that species in the gas phase can change in a rate of approximately 30 in 6 decades This estimation comes from a computational analysis of temperature variation measured during 6 months in Serra da Mesa and Manso reservoirs taking into account a simulated density and molar mass variation of the aqueous composition in these environments As an important global change issue from this preliminary analysis we discuss its role in the current estimations on the concentration emission rates

The Density and Compressibility of BaCO3-SrCO3-CaCO3-K2CO3-Na2CO3-Li2CO3 Liquids: New Measurements and a Systematic Trend with Cation Field Strength

NASA Astrophysics Data System (ADS)

Hurt, S. M.; Lange, R. A.; Ai, Y.

2015-12-01

The volumetric properties of multi-component carbonate liquids are required to extend thermodynamic models that describe partial melting of the deep mantle (e.g. pMELTS; Ghiorso et al., 2003) to carbonate-bearing lithologies. Carbonate in the mantle is an important reservoir of carbon, which is released to the atmosphere as CO2 through volcanism, and thus contributes to the carbon cycle. Although MgCO3 is the most important carbonate component in the mantle, it is not possible to directly measure the 1-bar density and compressibility of MgCO3 liquid because, like other alkaline-earth carbonates, it decomposes at a temperature lower than its melting temperature. Despite this challenge, Liu and Lange (2003) and O'Leary et al. (2015) showed that the one bar molar volume, thermal expansion and compressibility of the CaCO3 liquid component could be obtained by measuring the density and sound speeds of stable liquids in the CaCO3-Li2CO3-Na2CO3-K2CO3 quaternary system at one bar. In this study, this same strategy is employed on SrCO3- and BaCO3-bearing alkali carbonate liquids. The density and sound speed of seven liquids in the SrCO3-Li2CO3-Na2CO3-K2CO3 quaternary and three liquids in the BaCO3-Li2CO3-Na2CO3-K2CO3 quaternary were measured from 739-1367K, with SrCO3 and BaCO3 concentrations ranging from 10-50 mol%. The density measurements were made using the double-bob Archimedean method and sound speeds were obtained with a frequency-sweep acoustic interferometer. The molar volume and sound speed measurements were used to calculate the isothermal compressibility of each liquid, and the results show the volumetric properties mix ideally with composition. The partial molar volume and compressibility of the SrCO3 and BaCO3 components are compared to those obtained for the CaCO3 component as a function of cation field strength. The results reveal a systematic trend that allows the partial molar volume and compressibility of the MgCO3 liquid component to be estimated.

HIGH TEMPERATURE SULFATION STUDIES IN AN ISOTHERMAL REACTOR: A COMPARISON OF THEORY AND EXPERIMENT

EPA Science Inventory

The paper gives high-temperature isothermal data on sulfur dioxide (SO2) capture, obtained as a function of temperature, SO2 partial pressure, and Ca/S molar ratio for a pulverized dolomite (34 micrometer mean size) and a high-purity calcite (11 micrometer mean size). The experim...

Calcium and aluminum cycling in a temperate broadleaved deciduous forest of the eastern USA: relative impacts of tree species, canopy state, and flux type.

PubMed

Levia, Delphis F; Shiklomanov, Alexey N; Van Stan, John T; Scheick, Carrie E; Inamdar, Shreeram P; Mitchell, Myron J; McHale, Patrick J

2015-07-01

Ca/Al molar ratios are commonly used to assess the extent of aluminum stress in forests. This is among the first studies to quantify Ca/Al molar ratios for stemflow. Ca/Al molar ratios in bulk precipitation, throughfall, stemflow, litter leachate, near-trunk soil solution, and soil water were quantified for a deciduous forest in northeastern MD, USA. Data were collected over a 3-year period. The Ca/Al molar ratios in this study were above the threshold for aluminum stress (<1). Fagus grandifolia Ehrh. (American beech) had a median annual stemflow Ca/Al molar ratio of 15.7, with the leafed and leafless values of 12.4 and 19.2, respectively. The corresponding Ca/Al molar ratios for Liriodendron tulipifera L. (yellow poplar) were 11.9 at the annual time scale and 11.9 and 13.6 for leafed and leafless periods, respectively. Bayesian statistical analysis showed no significant effect of canopy state (leafed, leafless) on Ca/Al molar ratios. DOC was consistently an important predictor of calcium, aluminum, and Ca/Al ratios. pH was occasionally an important predictor of calcium and aluminum concentrations, but was not a good predictor of Ca/Al ratio in any of the best-fit models (of >500 examined). This study supplies new data on Ca/Al molar ratios for stemflow from two common deciduous tree species. Future work should examine Ca/Al molar ratios in stemflow of other species and examine both inorganic and organic aluminum species to better gauge the potential for, and understand the dynamics of, aluminum toxicity in the proximal area around tree boles.

Liquid chromatography of polymers under limiting conditions of desorption II. Tandem injection and quantitative molar mass determination.

PubMed

Snauko, Marián; Berek, Dusan

2005-11-11

Liquid chromatography under limiting conditions of desorption (LC LCD) is a method which allows molar mass independent elution of various synthetic polymers. A narrow, slowly moving zone of small molecules, which promotes full adsorption of one kind of polymer species within column (an adsorli) acts as an impermeable barrier for the fast moving macromolecules. The latter accumulate on the barrier edge and elute nearly in total volume of liquid within column. At the same time, transport of less adsorptive macromolecules is not hampered so that these are eluted in the size exclusion (SEC) mode. As result, polymers differing in their polarity and adsorptivity can be easily separated without molar mass interference. Three methods of barrier creation are discussed and compared. It is shown that a fraction of sample may elute unretained if the adsorli sample solvent is used as a barrier in connection with a narrow-pore column packing. One part of excluded macromolecules likely breaks-out from the adsorli zone and this results in partial loss of sample and distortion of the LC LCD peaks. This problem can be avoided if the adsorli zone is injected immediately before sample solution. Applicability of the LC LCD method for polymer separation has been demonstrated with a model mixture of poly(methyl methacrylate) (adsorbing polymer) and polystyrene (non adsorbing polymer) using bare silica gel as a column packing with a combination of tetrahydrofuran (a desorption promoting liquid -a desorli) and toluene (adsorli). It has been shown that the LC LCD procedure with tandem injection allows simple and fast discrimination of polymer blend components with good repeatability and high sample recovery. For quantitative determination of molar masses of both LC LCD and SEC eluted polymers, an additional size exclusion chromatographic column can be applied either in a conventional way or in combination with a multi-angle light scattering detector. A single eluent is used in the latter column, which separates the mixed mobile phase, system peaks and the desorli zone from the polymer peaks so that measurements are free from disturbances caused by the changing eluent composition. The resulting LC LCD x SEC procedure has been successfully applied to poly(methyl methacrylate) samples.

Modeling methylene blue aggregation in acidic solution to the limits of factor analysis.

PubMed

Golz, Emily K; Vander Griend, Douglas A

2013-01-15

Methylene blue (MB(+)), a common cationic thiazine dye, aggregates in acidic solutions. Absorbance data for equilibrated solutions of the chloride salt were analyzed over a concentration range of 1.0 × 10(-3) to 2.6 × 10(-5) M, in both 0.1 M HCl and 0.1 M HNO(3). Factor analyses of the raw absorbance data sets (categorically a better choice than effective absorbance) definitively show there are at least three distinct molecular absorbers regardless of acid type. A model with monomer, dimer, and trimer works well, but extensive testing has resulted in several other good models, some with higher order aggregates and some with chloride anions. Good models were frequently indistinguishable from each other by quality of fit or reasonability of molar absorptivity curves. The modeling of simulated data sets demonstrates the cases and degrees to which signal noise in the original data obscure the true model. In particular, the more mathematically similar (less orthogonal) the molar absorptivity curves of the chemical species in a model are, the less signal noise it takes to obscure the true model from other potentially good models. Unfortunately, the molar absorptivity curves in dye aggregation systems like that of methylene blue tend to be sufficiently similar so as to lead to the obscuration of models even at the noise levels (0.0001 ABS) of typical benchtop spectrophotometers.

Strength Performance of Blended Ash Based Geopolymer Mortar

NASA Astrophysics Data System (ADS)

Zahib, Zaidahtulakmal M.; Kamaruddin, Kartini; Saman, Hamidah M.

2018-03-01

Geopolymer is a based on inorganic alumino-silicate binder system. Geopolymeric materials are formed using materials that containing silica and aluminium such as fly ash and rice husk ash, which activated by alkaline solution. This paper presents the study on the effect of replacement of SSA in RHA based geopolymer, types of curing and different molarity of NaOH used on the strength of Sewage Sludge Ash (SSA) and Rice Husk Ash (RHA) based geopolymer mortar incorporating with three (3) different mix proportions. Based geopolymer mortar was synthesized from treated sewage sludge and rice husk undergoing incineration process in producing ashes, activated with sodium silicate and sodium hydroxide solution by ratio of 2.5:1 and solution to ash ratio of 1:1. Molarity of 8M and 10M NaOH were used. The percentages of SSA replacement were 0%, 10% and 20% by weight. Compressive strength was conducted at age 7, 14 and 28 days to see the development of strength with two curing regimes, which are air curing and oven curing (60°C for 24 hours). From the research conducted, the ultimate compressive strength (6.28MPa) was obtained at zero replacement of SSA taken at 28 days of oven curing with 10M of NaOH. This shows that RHA, which is rich in silica content is enough to enhance the strength of geopolymer mortar especially with high molarity of NaOH.

In-situ growth of ZIF-8 on layered double hydroxide: Effect of Zn/Al molar ratios on their structural, morphological and adsorption properties.

PubMed

Yang, Yingli; Yan, Xinlong; Hu, Xiaoyan; Feng, Rui; Zhou, Min

2017-11-01

In-situ growth of Zeolite imidazolate frameworks (ZIFs) on layered double hydroxides (LDHs) to form porous composites is a promising and challenging strategy to develop materials for separation application. Herein, the Zn-Al LDH with different Zn/Al molar ratios was prepared and used as matrix for the growth of ZIF-8 on its surface. The resulting composites were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), N 2 physisorption, thermogravimetric (TG), scanning electron microscope (SEM) and elemental analysis followed by testing for As V removal from aqueous solution. Results showed that ZIF-8 could form on the surface of LDH with different Zn/Al molar ratios. At low Zn/Al molar ratios, the morphology and surface area of the ZIF/LDH composites and the content of ZIF-8 in the composites were little affected by the Zn/Al molar ratio. With increasing Zn/Al molar ratio, ZIF-8/LDH exhibited a lower surface area, which resulted from reduced content of ZIF-8 caused by impurities generated in the LDH matrix. All ZIF-8/LDH samples showed high As V adsorption capacity, which was significantly higher than that of pure LDH or ZIF-8. Copyright © 2017 Elsevier Inc. All rights reserved.

Comparison of the Relative Risk of Molar Root Perforations Using Various Endodontic Instrumentation Techniques.

DTIC Science & Technology

1983-03-01

sodium hypochlorite using a standard endodontic irrigating syringe (Monoject Endodontic Syringe, Sherwood Medical Co., St. Louis, MO), and the...the sample. The Joel R. Kessler 8 teeth were placed in a 5.25% sodium hypochlorite solution for 30 minutes in order to remove soft tissue on the root...molars. J Endodon 1975;1:211-14. 7. Senia ES, Marshall FJ, Rosen S. The solvent action of sodium hypochlorite on pulp tissue of extracted teeth. Oral

A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

Third molars and premolars extraction in conventional orthodontics and in treatments based on maxillary bone remodeling with temporary anchorage: indications and care.

PubMed

Consolaro, Alberto

2017-02-01

A bone is an anatomic structure in constant remodeling, with different, mutant and wonderfully inconstant designs. With every new and immediate functional demand, there are changes in cortical thickness, trabecular bone density and also in direction and size of trabeculae. Bones' non-stopping search is for adjusting to the functions induced by forces and movements required by a certain life style. Conventional orthodontic planning or with temporary anchorage based on bone remodeling takes into consideration the spaces that are - or may be - occupied by the teeth, in the formation of a functional and esthetic dental arch for the patient. In case it is necessary to extract a tooth and the options are the third molars, partially or totally unerupted, and teeth that belong to other dental groups, obviousness recommends - due to mouth anatomy and physiology, as well as pathologic reasons - extracting the third molars, due to of the several reasons described in the present study.

Third molars and premolars extraction in conventional orthodontics and in treatments based on maxillary bone remodeling with temporary anchorage: indications and care

PubMed Central

Consolaro, Alberto

2017-01-01

ABSTRACT A bone is an anatomic structure in constant remodeling, with different, mutant and wonderfully inconstant designs. With every new and immediate functional demand, there are changes in cortical thickness, trabecular bone density and also in direction and size of trabeculae. Bones' non-stopping search is for adjusting to the functions induced by forces and movements required by a certain life style. Conventional orthodontic planning or with temporary anchorage based on bone remodeling takes into consideration the spaces that are - or may be - occupied by the teeth, in the formation of a functional and esthetic dental arch for the patient. In case it is necessary to extract a tooth and the options are the third molars, partially or totally unerupted, and teeth that belong to other dental groups, obviousness recommends - due to mouth anatomy and physiology, as well as pathologic reasons - extracting the third molars, due to of the several reasons described in the present study. PMID:28444013

[Determination of solubility parameters of high density polyethylene by inverse gas chromatography].

PubMed

Wang, Qiang; Chen, Yali; Liu, Ruiting; Shi, Yuge; Zhang, Zhengfang; Tang, Jun

2011-11-01

Inverse gas chromatographic (IGC) technology was used to determine the solubility parameters of high density polyethylene (HDPE) at the absolute temperatures from 303.15 to 343.15 K. Six solvents were applied as test probes including hexane (n-C6), heptane (n-C7), octane (n-C8), nonane (n-C9), chloroform (CHCl3) and ethyl acetate (EtAc). Some thermodynamic parameters were obtained by IGC data analysis such as the specific retention volumes of the solvents (V(0)(g)), the molar enthalpy of sorption (delta H(S)(1)), the partial molar enthalpy of mixing at infinite dilution (delta H(1)(infinity)), the molar enthalpy of vaporization (delta H(v)), the activity coefficients at infinite dilution (omega (1)(infinity)), and Flow-Huggins interaction parameters (X(1,2)(infinity)) between HDPE and probe solvents. The results showed that the above six probes are poor solvents for HDPE. The solubility parameter of HDPE at room temperature (298.15 K) was also derived as 19.00 (J/cm3)(0.5).

New Wine in Old Flasks: A New Solution of the Clapeyron Equation

ERIC Educational Resources Information Center

Shilo, Doron; Ghez, Richard

2008-01-01

The coexisting equilibrium states between single-component gas and condensed phases (liquid or solid) are often calculated by assuming that the condensed phase's molar volume is negligible in comparison with the gas's. Here, we present an analytic solution of Clapeyron's equation when this assumption is relaxed. It differs substantially from…

21 CFR 640.103 - The final product.

Code of Federal Regulations, 2012 CFR

2012-04-01

.... (a) Final solution. The final product shall be a 16.5 ±1.5 percent solution of globulin containing 0.3 molar glycine and a preservative. (b) Protein composition. At least 96 percent of the total protein shall be immunoglobulin G (IgG), as determined by a method that has been approved for each...

21 CFR 640.103 - The final product.

Code of Federal Regulations, 2014 CFR

2014-04-01

.... (a) Final solution. The final product shall be a 16.5 ±1.5 percent solution of globulin containing 0.3 molar glycine and a preservative. (b) Protein composition. At least 96 percent of the total protein shall be immunoglobulin G (IgG), as determined by a method that has been approved for each...

21 CFR 640.103 - The final product.

Code of Federal Regulations, 2013 CFR

2013-04-01

.... (a) Final solution. The final product shall be a 16.5 ±1.5 percent solution of globulin containing 0.3 molar glycine and a preservative. (b) Protein composition. At least 96 percent of the total protein shall be immunoglobulin G (IgG), as determined by a method that has been approved for each...

Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes

USGS Publications Warehouse

Chiou, C.T.; Schmedding, D.W.; Manes, M.

2005-01-01

A volume-fraction-based solvent-water partition model for dilute solutes, in which the partition coefficient shows a dependence on solute molar volume (V??), is adapted to predict the octanol-water partition coefficient (K ow) from the liquid or supercooled-liquid solute water solubility (Sw), or vice versa. The established correlation is tested for a wide range of industrial compounds and pesticides (e.g., halogenated aliphatic hydrocarbons, alkylbenzenes, halogenated benzenes, ethers, esters, PAHs, PCBs, organochlorines, organophosphates, carbamates, and amidesureas-triazines), which comprise a total of 215 test compounds spanning about 10 orders of magnitude in Sw and 8.5 orders of magnitude in Kow. Except for phenols and alcohols, which require special considerations of the Kow data, the correlation predicts the Kow within 0.1 log units for most compounds, much independent of the compound type or the magnitude in K ow. With reliable Sw and V data for compounds of interest, the correlation provides an effective means for either predicting the unavailable log Kow values or verifying the reliability of the reported log Kow data. ?? 2005 American Chemical Society.

Studying pressure denaturation of a protein by molecular dynamics simulations.

PubMed

Sarupria, Sapna; Ghosh, Tuhin; García, Angel E; Garde, Shekhar

2010-05-15

Many globular proteins unfold when subjected to several kilobars of hydrostatic pressure. This "unfolding-up-on-squeezing" is counter-intuitive in that one expects mechanical compression of proteins with increasing pressure. Molecular simulations have the potential to provide fundamental understanding of pressure effects on proteins. However, the slow kinetics of unfolding, especially at high pressures, eliminates the possibility of its direct observation by molecular dynamics (MD) simulations. Motivated by experimental results-that pressure denatured states are water-swollen, and theoretical results-that water transfer into hydrophobic contacts becomes favorable with increasing pressure, we employ a water insertion method to generate unfolded states of the protein Staphylococcal Nuclease (Snase). Structural characteristics of these unfolded states-their water-swollen nature, retention of secondary structure, and overall compactness-mimic those observed in experiments. Using conformations of folded and unfolded states, we calculate their partial molar volumes in MD simulations and estimate the pressure-dependent free energy of unfolding. The volume of unfolding of Snase is negative (approximately -60 mL/mol at 1 bar) and is relatively insensitive to pressure, leading to its unfolding in the pressure range of 1500-2000 bars. Interestingly, once the protein is sufficiently water swollen, the partial molar volume of the protein appears to be insensitive to further conformational expansion or unfolding. Specifically, water-swollen structures with relatively low radii of gyration have partial molar volume that are similar to that of significantly more unfolded states. We find that the compressibility change on unfolding is negligible, consistent with experiments. We also analyze hydration shell fluctuations to comment on the hydration contributions to protein compressibility. Our study demonstrates the utility of molecular simulations in estimating volumetric properties and pressure stability of proteins, and can be potentially extended for applications to protein complexes and assemblies. Proteins 2010. (c) 2009 Wiley-Liss, Inc.

Challenges in the Structure Determination of Self-Assembled Metallacages: What Do Cage Cavities Contain, Internal Vapor Bubbles or Solvent and/or Counterions?

PubMed

Givelet, Cecile C; Dron, Paul I; Wen, Jin; Magnera, Thomas F; Zamadar, Matibur; Čépe, Klára; Fujiwara, Hiroki; Shi, Yue; Tuchband, Michael R; Clark, Noel; Zbořil, Radek; Michl, Josef

2016-05-25

Proving the structures of charged metallacages obtained by metal ion coordination-driven solution self-assembly is challenging, and the common use of routine NMR spectroscopy and mass spectrometry is unreliable. Carefully determined diffusion coefficients from diffusion-ordered proton magnetic resonance (DOSY NMR) for six cages of widely differing sizes lead us to propose a structural reassignment of two molecular cages from a previously favored trimer to a pentamer or hexamer, and another from a trimer to a much higher oligomer, possibly an intriguing tetradecamer. In the former case, strong support for the reassignment to a larger cage is provided by an observation of a slow reversible transformation of the initially formed cage into a smaller but spectrally very similar one upon dilution. In the latter case, freeze-fracture transmission electron micrographs demonstrate that at least some of the solutions are colloidal, and high-resolution electron transmission and atomic force microscopy images are compatible with a tetradecamer but not a trimer. Comparison of solute partial molar volumes deduced from measurement of solution density with volumes anticipated from molecular models argues strongly against the presence of large voids (solvent vapor bubbles) in cages dissolved in nitromethane. The presence of bubbles was previously proposed in an attempt to account for the bilinear nature of the Eyring plot of the rate constant for pyridine ligand edge exchange reaction in one of the cages and for the unusual activation parameters in the high-temperature regime. An alternative interpretation is proposed now.

Transient finite element analysis of electric double layer using Nernst-Planck-Poisson equations with a modified Stern layer.

PubMed

Lim, Jongil; Whitcomb, John; Boyd, James; Varghese, Julian

2007-01-01

A finite element implementation of the transient nonlinear Nernst-Planck-Poisson (NPP) and Nernst-Planck-Poisson-modified Stern (NPPMS) models is presented. The NPPMS model uses multipoint constraints to account for finite ion size, resulting in realistic ion concentrations even at high surface potential. The Poisson-Boltzmann equation is used to provide a limited check of the transient models for low surface potential and dilute bulk solutions. The effects of the surface potential and bulk molarity on the electric potential and ion concentrations as functions of space and time are studied. The ability of the models to predict realistic energy storage capacity is investigated. The predicted energy is much more sensitive to surface potential than to bulk solution molarity.

Synthesis and characterization of dextran-coated iron oxide nanoparticles

NASA Astrophysics Data System (ADS)

Predescu, Andra Mihaela; Matei, Ecaterina; Berbecaru, Andrei Constantin; Pantilimon, Cristian; Drăgan, Claudia; Vidu, Ruxandra; Predescu, Cristian; Kuncser, Victor

2018-03-01

Synthesis and characterization of iron oxide nanoparticles coated with a large molar weight dextran for environmental applications are reported. The first experiments involved the synthesis of iron oxide nanoparticles which were coated with dextran at different concentrations. The synthesis was performed by a co-precipitation technique, while the coating of iron oxide nanoparticles was carried out in solution. The obtained nanoparticles were characterized by using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction spectrometry, Fourier transform infrared spectroscopy and superconducting quantum interference device magnetometry. The results demonstrated a successful coating of iron oxide nanoparticles with large molar weight dextran, of which agglomeration tendency depended on the amount of dextran in the coating solution. SEM and TEM observations have shown that the iron oxide nanoparticles are of about 7 nm in size.

Size-distribution analysis of macromolecules by sedimentation velocity ultracentrifugation and lamm equation modeling.

PubMed

Schuck, P

2000-03-01

A new method for the size-distribution analysis of polymers by sedimentation velocity analytical ultracentrifugation is described. It exploits the ability of Lamm equation modeling to discriminate between the spreading of the sedimentation boundary arising from sample heterogeneity and from diffusion. Finite element solutions of the Lamm equation for a large number of discrete noninteracting species are combined with maximum entropy regularization to represent a continuous size-distribution. As in the program CONTIN, the parameter governing the regularization constraint is adjusted by variance analysis to a predefined confidence level. Estimates of the partial specific volume and the frictional ratio of the macromolecules are used to calculate the diffusion coefficients, resulting in relatively high-resolution sedimentation coefficient distributions c(s) or molar mass distributions c(M). It can be applied to interference optical data that exhibit systematic noise components, and it does not require solution or solvent plateaus to be established. More details on the size-distribution can be obtained than from van Holde-Weischet analysis. The sensitivity to the values of the regularization parameter and to the shape parameters is explored with the help of simulated sedimentation data of discrete and continuous model size distributions, and by applications to experimental data of continuous and discrete protein mixtures.

Process for the recovery of strontium from acid solutions

DOEpatents

Horwitz, E. Philip; Dietz, Mark L.

1992-01-01

The invention is a process for selectively extracting strontium and technetium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant is a macrocyclic polyether in a diluent which is insoluble in water, but which will itself dissolve a small amount of water. The process will extract strontium and technetium values from nitric acid solutions which are up to 6 molar in nitric acid.

Calculation of Derivative Thermodynamic Hydration and Aqueous Partial Molar Properties of Ions Based on Atomistic Simulations.

PubMed

Dahlgren, Björn; Reif, Maria M; Hünenberger, Philippe H; Hansen, Niels

2012-10-09

The raw ionic solvation free energies calculated on the basis of atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [Kastenholz, M. A.; Hünenberger, P. H. J. Chem. Phys.2006, 124, 224501 and Reif, M. M.; Hünenberger, P. H. J. Chem. Phys.2011, 134, 144104], the application of an appropriate correction scheme allows for a conversion of the methodology-dependent raw data into methodology-independent results. In this work, methodology-independent derivative thermodynamic hydration and aqueous partial molar properties are calculated for the Na(+) and Cl(-) ions at P° = 1 bar and T(-) = 298.15 K, based on the SPC water model and on ion-solvent Lennard-Jones interaction coefficients previously reoptimized against experimental hydration free energies. The hydration parameters considered are the hydration free energy and enthalpy. The aqueous partial molar parameters considered are the partial molar entropy, volume, heat capacity, volume-compressibility, and volume-expansivity. Two alternative calculation methods are employed to access these properties. Method I relies on the difference in average volume and energy between two aqueous systems involving the same number of water molecules, either in the absence or in the presence of the ion, along with variations of these differences corresponding to finite pressure or/and temperature changes. Method II relies on the calculation of the hydration free energy of the ion, along with variations of this free energy corresponding to finite pressure or/and temperature changes. Both methods are used considering two distinct variants in the application of the correction scheme. In variant A, the raw values from the simulations are corrected after the application of finite difference in pressure or/and temperature, based on correction terms specifically designed for derivative parameters at P° and T(-). In variant B, these raw values are corrected prior to differentiation, based on corresponding correction terms appropriate for the different simulation pressures P and temperatures T. The results corresponding to the different calculation schemes show that, except for the hydration free energy itself, accurate methodological independence and quantitative agreement with even the most reliable experimental parameters (ion-pair properties) are not yet reached. Nevertheless, approximate internal consistency and qualitative agreement with experimental results can be achieved, but only when an appropriate correction scheme is applied, along with a careful consideration of standard-state issues. In this sense, the main merit of the present study is to set a clear framework for these types of calculations and to point toward directions for future improvements, with the ultimate goal of reaching a consistent and quantitative description of single-ion hydration thermodynamics in molecular dynamics simulations.

Retrospective chart analysis on survival rate of fixtures installed at the tuberosity bone for cases with missing unilateral upper molars: a study of 7 cases.

PubMed

Park, Young-Jin; Cho, Sung-Am

2010-06-01

To evaluate the survival rate of implants placed in the maxillary tuberosity region using the fixed prosthesis in partially edentulous cases. Of implant-treated patients who visited Kyung Pook National University Hospital, 7 partially edentulous patients (2 male and 5 female; mean age, 52.3 years; range, approximately 43 to 65) were selected according to the following criteria: 1) less than 3-mm thickness alveolar bone reaming at the first molar area and 2) 1 to 2 fixture premolars, with the additional implant at the maxillary tuberosity region. For the control group, patients who had nontuberosity areas were selected. After 1 to 7 years, marginal bone level, fixture mobility, and radiolucency of tuberosity fixtures of the fixed prostheses were evaluated by digital panorama (Starpacs, Infinitt, Seoul, Korea). None of the fixtures of the tuberosity-installed implants for 1 to 7 years failed. The marginal bone level around the implants of the maxillary tuberosity 1 to 6 years (average 3.4 years) after the final prostheses was approximately 0.6 to 1.3 mm, with an average of 0.94 mm. The fixture installation at the maxillary tuberosity using the unilateral partially edentulous implant-fixed prosthesis would be a clinically acceptable treatment module. 2010 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Three-year clinical follow-up of posterior teeth restored with leucite-reinforced ips empress onlays and partial veneer crowns.

PubMed

Murgueitio, Rafael; Bernal, Guillermo

2012-07-01

The aim of this study was to analyze the survival rate and failure mode of IPS leucite-reinforced ceramic onlays and partial veneer crowns regarding thickness under the following clinical conditions: vital versus nonvital teeth, tooth location, and type of opposing dentition. Teeth were prepared according to established guidelines for ceramic onlays and partial veneer crowns. Before cementation, the restorations were measured for occlusal thickness at the central fossa, mesial, and distal marginal ridges, and functional and nonfunctional cusps. A total of 210 ceramic restorations were cemented in 99 patients within a mean observation period of 2.9 ± 1.89 years. The mode of failure was classified and evaluated as (1) adhesive, (2) cohesive, (3) combined failure, (4) decementation, (5) tooth sensitivity, and (6) pulpal necrosis. Kaplan, log-rank, and Cox regression tests were used for statistical analysis. The failure rate was 3.33% (7/210). Increased material thickness produced less probability of failures. Vital teeth were less likely to fail than nonvital teeth. Second molars were five times more susceptible to failure than first molars. Tooth sensitivity postcementation and the type of opposing dentition were not statistically significant in this study. In this study, thickness of the restorations, tooth vitality, and location of teeth in the dental arch influenced restoration failures. © 2012 by the American College of Prosthodontists.

Glass ionomer ART sealant and fluoride-releasing resin sealant in fissure caries prevention – results from a randomized clinical trial

PubMed Central

2014-01-01

Background The relative performance of ART sealant and fluoride-releasing resin sealant in preventing fissure caries in permanent molars was compared in a randomized clinical trial conducted in southern China (ClinicalTrials.gov NCT01829334). Methods After obtaining ethical approval, healthy schoolchildren who had permanent first molars with occlusal fissures which were sound but deep or presented with only incipient caries were recruited for the study. Included molars were randomly allocated into one of four parallel study groups in units of left/right teeth per mouth. Two of the four groups adopted the methods of ART or fluoride-releasing resin sealant placement while the other two groups adopted the topical fluoride application methods. Fissure status of the molars in each group was evaluated every 6 months. Development of dentine caries and sealant retention over 24 months in the molars in the two sealant-using groups was compared in this report. Outcome on cost-effectiveness of all four groups over 36 months will be reported elsewhere. Results At baseline, a total of 280 children (383 molars) with mean age 7.8 years were involved for the two sealant groups. After 24 months, 261 children (357 molars) were followed. Proportions of molars with dentine caries were 7.3% and 3.9% in the ART sealant and fluoride-releasing resin sealant groups, respectively (chi-square test, p = 0.171). Life-table survival analysis showed that sealant retention (full and partial) rate over 24 months for the resin sealant (73%) was significantly higher than that (50%) for the ART sealant (p < 0.001). Molar survival (no development of dentine caries) rates in the ART sealant (93%) and fluoride-releasing resin sealant (96%) groups were not significantly different (p = 0.169). Multilevel logistic regression (GEE modeling) accounting for the effects of data clustering and confounding factors confirmed this finding. Conclusions Though the retention of fluoride-releasing resin sealant was better than that of the ART sealant, their effectiveness in preventing fissure caries in permanent molars did not differ significantly over 24 months. ART sealants could be a good alternative when and where resources for resin sealant placement are not readily available. PMID:24886444

Molar distalization with pendulum appliances in the mixed dentition: effects on the position of unerupted canines and premolars.

PubMed

Kinzinger, Gero S M; Wehrbein, Heinrich; Gross, Ulrich; Diedrich, Peter R

2006-03-01

The pendulum appliance allows for rapid molar distalization without the need for patient compliance. Its efficiency has been confirmed in a number of clinical studies. However, the potential interactions and positional changes between the deciduous molars used for dental anchorage and the erupted and unerupted permanent teeth have yet to be clarified when this appliance is used for molar distalization in the mixed dentition. Twenty-nine patients in the mixed dentition each received a modified pendulum appliance with a distal screw and a preactivated pendulum spring for bilateral distalization of the maxillary molars. The patients were divided into 4 groups based on dentition stages: patient group 1 (PG 1, n = 10) was in the early mixed dentition; patients had resorption of the distal root areas of the deciduous molars being used for dental anchorage, and the unerupted premolars were located at the distal margin of the deciduous molar root region. Based on radiographs taken before placement of the pendulum appliance, patient group 2 (PG 2, n = 10) was diagnosed as having a central location of the unerupted premolars. In the third group (PG 3, n = 4), the first premolars were already erupted and could be integrated into the dental anchorage, but the canines were not yet erupted. In the fourth group (PG 4, n = 5), the first premolars and both canines were fully erupted. Statistical analysis of the measured results showed significant differences in the side effects between PG 1 and PG 2. In patients being treated with pendulum appliances, the anchorage quality of the deciduous molars that were already partially resorbed in the distal root area was comparatively reduced. Consequently, the mesial drift of the deciduous molars and incisors was increased, without impairing the extent and quality of the molar distalization. Anchorage loss in the supporting area had no direct impact on the sagittal position of the unerupted premolars in the early mixed dentition. If permanent teeth have already started to erupt in the supporting area, additional space restrictions should be avoided in patients with critical topography, especially if there is little space for the unerupted canines. At this stage of the mixed dentition, premolar extraction or augmentation of the supporting area with extraoral headgear offers a therapeutic alternative to intraoral distalization appliances with exclusively dental anchorage.

Formation of polyelectrolyte complexes with diethylaminoethyl dextran: charge ratio and molar mass effect.

PubMed

Le Cerf, Didier; Pepin, Anne Sophie; Niang, Pape Momar; Cristea, Mariana; Karakasyan-Dia, Carole; Picton, Luc

2014-11-26

The formation of polyelectrolyte complexes (PECs) between carboxymethyl pullulan and DEAE Dextran, was investigated, in dilute solution, with emphasis on the effect of charge density (molar ratio or pH) and molar masses. Electrophoretic mobility measurements have evidenced that insoluble PECs (neutral electrophoretic mobility) occurs for charge ratio between 0.6 (excess of polycation) and 1 (stoichiometry usual value) according to the pH. This atypical result is explained by the inaccessibility of some permanent cationic charge when screened by pH dependant cationic ones (due to the Hoffman alkylation). Isothermal titration calorimetry (ITC) indicates an endothermic formation of PEC with a binding constant around 10(5) L mol(-1). Finally asymmetrical flow field flow fractionation coupled on line with static multi angle light scattering (AF4/MALS) evidences soluble PECs with very large average molar masses and size around 100 nm, in agreement with scrambled eggs multi-association between various polyelectrolyte chains. Copyright © 2014 Elsevier Ltd. All rights reserved.

Determination of concentration and molar absorptivity of hypochlorous acid and hypobromous acid species by hydrogen peroxide titration

NASA Astrophysics Data System (ADS)

Uehara, H.; Arakaki, T.

2017-12-01

Hypochlorous acid and hypobromous acid (abbreviated as "HypoX acids") are the main ingredients of bleaching and bactericides. The HypoX acids change their chemical forms depending on environmental factors such as pH and various chemical reactions. For example, it has been reported that hypobromite ion in water changes to carcinogenic bromate by photochemical reaction with ultraviolet light. In this study, concentrations of HypoX acids were determined by UV-VIS absorbance measurement utilizing the fact that HypoX acids react with hydrogen peroxide and do not co-exist in the solution. The method for determining the concentration by titration with hydrogen peroxide can be carried out simpler and more efficiently than the DPD method or the current titration method generally used for chlorine concentration measurement. Molar absorptivity between 250 - 500 nm of HypoX acids, including their conjugate base species, was determined by solving theoretical acid-base formula including molar fraction of each chemical species at various pHs. Molar absorptivity of OCl- and OBr- between 250 - 500 nm was determined based on the concentrations obtained from titration with hydrogen peroxide and absorbance at pH > 10, where OCl- and OBr- dominate. Furthermore, the HypoX acids solutions were irradiated with a solar simulator, and the photolysis rate constants were obtained. Based on those values, the half-lives were calculated and the behavior of HypoX acids in the environment was elucidated.

Signal Amplification in Field Effect-Based Sandwich Enzyme-Linked Immunosensing by Tuned Buffer Concentration with Ionic Strength Adjuster.

PubMed

Kumar, Satyendra; Kumar, Narendra; Panda, Siddhartha

2016-04-01

Miniaturization of the sandwich enzyme-based immunosensor has several advantages but could result in lower signal strength due to lower enzyme loading. Hence, technologies for amplification of the signal are needed. Signal amplification in a field effect-based electrochemical immunosensor utilizing chip-based ELISA is presented in this work. First, the molarities of phosphate buffer saline (PBS) and concentrations of KCl as ionic strength adjuster were optimized to maximize the GOx glucose-based enzymatic reactions in a beaker for signal amplification measured by change in the voltage shift with an EIS device (using 20 μl of solution) and validated with a commercial pH meter (using 3 ml of solution). The PBS molarity of 100 μM with 25 mM KCl provided the maximum voltage shift. These optimized buffer conditions were further verified for GOx immobilized on silicon chips, and similar trends with decreased PBS molarity were obtained; however, the voltage shift values obtained on chip reaction were lower as compared to the reactions occurring in the beaker. The decreased voltage shift with immobilized enzyme on chip could be attributed to the increased Km (Michaelis-Menten constant) values in the immobilized GOx. Finally, a more than sixfold signal enhancement (from 8 to 47 mV) for the chip-based sandwich immunoassay was obtained by altering the PBS molarity from 10 to 100 μM with 25 mM KCl.

CESIUM RECOVERY FROM AQUEOUS SOLUTIONS

DOEpatents

Schneider, R.A.

1961-06-20

Cesium may be precipitated from an aqueous solution whose acidity ranges between a pH of 1.5 and a molarity of 5 on cobaltous, zinc, cadmium, nickel, or ferrous cobalticyanide. This precipitation brings about a separation from most fission products. Ruthenium which coprecipitates to a great degree can be removed by dissolving in sulfuric acid and boiling the solution in the presence of periodic acid for volatilization; other coprecipitated fission products can then be precipitated from the sulfuric acid solution with a ferric hydroxide carrier.

Preparation and Properties of Methylammonium, Perchlorate.

DTIC Science & Technology

1978-05-01

accident which occurred during the preparation of MAP is described and discussed in Appendix III. 2.2 Chloride Silver nitrate solution was added to...placing it in a furnace at 200WC and heating to 830 C. The chloride formed was determined by titration with standard silver nitrate solution using...calculated by: V M x 3.545 m where V = net volume of silver nitrate solution (cm*) M = molarity of silver nitrate solution and m = mass of MAP (g) 2.7 Purity

REDUCTION OF PLUTONIUM VALUES IN AN ACIDIC AQUEOUS SOLUTION WITH FORMALDEHYDE

DOEpatents

Olson, C.M.

1959-06-01

A method is given for reducing Pu to the tetravalent state and lowering the high acidity of dissolver solutions containing U and Pu. Formaldehyde is added to the HNO/sub 3/ solution of U and Pu to effect a formaldehyde to HNO/sub 3/ molar ratio of 0.375:1 to 1.5:1. The Pu can then be removed from the solution by carrier precipitation using BiPO/sub 4/ or by ion exchange. (T.R.H.)

Effect of Amount of Carbon on the Reduction Efficiency of Iron Ore-Coal Composite Pellets in Multi-layer Bed Rotary Hearth Furnace (RHF)

NASA Astrophysics Data System (ADS)

Mishra, Srinibash; Roy, Gour Gopal

2016-08-01

The effect of carbon-to-hematite molar ratio has been studied on the reduction efficiency of iron ore-coal composite pellet reduced at 1523 K (1250 °C) for 20 minutes in a laboratory scale multi-layer bed rotary hearth furnace (RHF). Reduced pellets have been characterized through weight loss measurement, estimation of porosity, shrinkage, qualitative and quantitative phase analysis by XRD. Performance parameters such as the degree of reduction, metallization, carbon efficiency, productivity, and compressive strength have been calculated to compare the process efficacy at different carbon levels in the pellets. Pellets with optimum carbon-to-hematite ratio (C/Fe2O3 molar ratio = 1.66) that is much below the stoichiometric carbon required for direct reduction of hematite yielded maximum reduction, better carbon utilization, and productivity for all three layers. Top layer exhibited maximum reduction at comparatively lower carbon level (C/Fe2O3 molar ratio <2.33) in the pellet, while bottom layer exceeded top layer reduction at higher carbon level (C/Fe2O3 molar ratio >2.33). Correlation between degree of reduction and metallization indicated non-isothermal kinetics influenced by heat and mass transfer in multi-layer bed RHF. Compressive strength of the partially reduced pellet with optimum carbon content (C/Fe2O3 molar ratio = 1.66) showed that they could be potentially used as an alternate feed in a blast furnace or any other smelting reactor.

The retrotransposon Tf1 assembles virus-like particles that contain excess Gag relative to integrase because of a regulated degradation process.

PubMed

Atwood, A; Lin, J H; Levin, H L

1996-01-01

The retrotransposon Tf1, isolated from Schizosaccharomyces pombe, contains a single open reading frame with sequences encoding Gag, protease, reverse transcriptase, and integrase (IN). Tf1 has previously been shown to possess significant transposition activity. Although Tf1 proteins do assemble into virus-like particles, the assembly does not require readthrough of a translational reading frame shift or stop codon, common mechanisms used by retroelements to express Gag in molar excess of the polymerase proteins. This study was designed to determine if Tf1 particles contain equal amounts of Gag and polymerase proteins or whether they contain the typical molar excess of Gag. After using two separate methods to calibrate the strength of our antibodies, we found that both S. pombe extracts and partially purified Tf1 particles contained a 26-fold molar excess of Gag relative to IN. Knowing that Gag and IN are derived from the same Tf1 primary translation product, we concluded that the excess Gag most likely resulted from specific degradation of IN. We obtained evidence of regulated IN degradation in comparisons of Tf1 protein extracted from log-phase cells and that extracted from stationary-phase cells. The log-phase cells contained equal molar amounts of Gag and IN, whereas cells approaching stationary phase rapidly degraded IN, leaving an excess of Gag. Analysis of the reverse transcripts indicated that the bulk of reverse transcription occurred within the particles that possess a molar excess of Gag.

Clinical performance of a glass ionomer sealant protected with two different resin-based agents over a 2-year follow-up period.

PubMed

Ulusoy, A T; Tunc, E S; Bayrak, Ş

2017-03-01

To evaluate the effects of two different resin coating materials on the clinical performance of a conventional glass ionomer sealant. Permanent first mandibular molars of 60 children aged 6-9 years were sealed with Fuji VII. In each child, G-Coat Plus coating agent was applied to molars on one side and Heliobond coating agent to molars on the opposite side of the mouth. Clinical evaluations were carried out at 1, 6, 12, 18 and 24 months after sealant and coating application. At 1, 6, 12, 18 and 24 months after sealant and coating application, total sealant retention rates were 88%, 40%, 19%, 15% and 9% for molars coated with G-Coat Plus, and 93%, 47%, 17%, 15% and 7% for those coated with Heliobond. The differences between the two coating agents were not statistically significant (p>0.05). No incidence of caries was observed in either group during the two-year evaluation period. Wilcoxon signed rank test was used to compare differences in retention rates and caries incidence by coating agent. Although retention rates of Fuji VII were relatively low and similar for both resin coating agents tested, dental caries were not observed in either group during the 24-month study period. In children with a high risk of caries and partially erupted molars, the use of a glass ionomer sealant with a resin-based coating agent should be encouraged.

[Evaluation of cermet fillings in abutment teeth in removable partial prostheses].

PubMed

Saulic, S; Tihacek-Sojic, Lj

2001-01-01

The aim of the study was to describe the clinical process of setting the purpose filling on abutment teeth, after finishing the removable partial dentures. The aim was also to investigate the use of cermet glass-ionomer cement for the purpose filling in the abutment teeth for removable partial dentures, as well as to investigate the surface of the purpose filling. For the clinical evaluation of purpose filling slightly modified criteria according to Ryg's were used in 20 patients with different type of edentulousness. Changes occurring on the surface of purpose filling have been experimentally established by the method of scanning electron microscopy on the half-grown third molars in seven patients. It could be concluded that cement glass-ionomer was not the appropriate material for the purpose fillings in abutment teeth for removable partial dentures.

Observation of conformational changes in ethylene glycol–water complexes by FTIR–ATR spectroscopy and computational studies

NASA Astrophysics Data System (ADS)

Guo, Yu-Cong; Cai, Chen; Zhang, Yun-Hong

2018-05-01

Attenuated total reflectance - Fourier transform infrared (ATR-FTIR) spectra of ethylene glycol-water (abbreviated as EG-H2O) mixtures were measured at 298 K with the ethylene glycol molar ratio ranging from 0.01 to 1400. The two bands at 1033 and 1082 cm-1 were assigned to be the C-C stretching vibration modes related to the trans- and gauche- conformation of EG. The absorbance of the two bands was found to be sensitive to the molar ratios. We made theoretical calculation for ten conformations of the EG molecules to understand the conformational transformation of EG molecules changing with EG-H2O molar ratios. The absorbance ratio (A1033/A1082) was used to determine the trans- and gauche- conformation ratio with the calculated (AνO-C-C-O-T/AνO-C-C-O-G) as standard. When the molar ratio of water and EG (xH2O/xEG) is smaller than 0.4, strong associations formed by the intermolecular hydrogen bonds were dominant in the solutions and the proportion of gauche- conformation was about 0.5. Within the region of 0.4< xH2O/xEG < 20, the intermolecular hydrogen bonds structure between EG molecules were broken by the water molecules and the structure of most EG molecules changed from trans- to gauche- conformation. The blue shift of the peaks indicated the increasing hydrogen bonding between water and EG. When xH2O/xEG is larger than 20, the monomers of molecules started to appear in the EG-H2O solution. The gauche- conformation was the dominated conformation in the dilute EG-H2O solution with proportion of 0.87. In the CH2 rocking vibration (δC-H) region, the computational results showed that the majority bands in this region were influenced by the gauche- conformation which can be divided into group G1 or G2. The transformation between the gauche- conformations of EG molecules can be studied by combining the experimental results and the computational results, The proportion of G1 for the EG-rich solution was about 0.71 while it decreased to 0.55 for the H2O-rich solution.

Ionic association and solvation of the ionic liquid 1-hexyl-3-methylimidazolium chloride in molecular solvents revealed by vapor pressure osmometry, conductometry, volumetry, and acoustic measurements.

PubMed

Sadeghi, Rahmat; Ebrahimi, Nosaibah

2011-11-17

A systematic study of osmotic coefficient, conductivity, volumetric and acoustic properties of solutions of ionic liquid 1-hexyl-3-methylimidazolium chloride ([C(6)mim][Cl]) in various molecular solvents has been made at different temperatures in order to study of ionic association and solvation behavior of [C(6)mim][Cl] in different solutions. Precise measurements on electrical conductances of solutions of [C(6)mim][Cl] in water, methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and acetonitrile at 293.15, 298.15, and 303.15 K are reported and analyzed with Barthel's low-concentration chemical model (lcCM) to obtain the limiting molar conductivities and association constants of this ionic liquid in the investigated solvents. Strong ion pairing was found for the ionic liquid in 2-propanol, 1-butanol, and 1-propanol, whereas ion association in acetonitrile, methanol and ethanol is rather weak and in water the ionic liquid is fully dissociated. In the second part of this work, the apparent molar volumes and isentropic compressibilities of [C(6)mim][Cl] in water, methanol, ethanol, acetonitrile, 1-propanol, 2-propanol, and 1-butanol are obtained at the 288.15-313.15 K temperature range at 5 K intervals at atmospheric pressure from the precise measurements of density and sound velocity. The infinite dilution apparent molar volume and isentropic compressibility values of the free ions and ion pairs of [C(6)mim][Cl] in the investigated solvents as well as the excess molar volume of the investigated solutions are determined and their variations with temperature and type of solvents are also studied. Finally, the experimental measurements of osmotic coefficient at 318.15 K for binary solutions of [C(6)mim][Cl] in water, methanol, ethanol, 2-propanol, and acetonitrile are taken using the vapor pressure osmometry (VPO) method and from which the values of the solvent activity, vapor pressure, activity coefficients, and Gibbs free energies are calculated. The results are interpreted in terms of ion association, ion-dipole interactions, and structural factors of the ionic liquid and investigated organic solvents. The ionic liquid is solvated to a different extent by the molecular solvents, and ionic association is affected significantly by ionic solvation.

Heat capacity of alkanolamine aqueous solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiu, L.F.; Li, M.H.

1999-12-01

Heat capacities of monoethanoloamine, diglycolamine, diethanolamine, di-w propanolamine, triethanolamine, N-methyldiethanolamine, 2-amino-2-methyl-l-propanol, and 2-piperidineethanol aqueous solutions were measured from 30 to 80 C with a differential scanning calorimeter (DSC). The mole fractions of alkanolamines studied are 0.2, 0.4, 0.6, and 0.8. Heat capacities of N-methyldiethanolamine aqueous solutions have been measured to verify the validity of C{sub p} measurements for alkanolamine aqueous solutions. The estimated uncertainty of the measured heat capacities is {plus{underscore}minus}3%, including the effect of up to 5% impurities in a substance. An excess molar heat capacity expression using the Redlich-Kister equation for the composition dependence is used to representmore » the measured C{sub p} of alkanolamine aqueous solutions. For a total of 374 data points, the calculation results for eight alkanolamine solutions give the overall average absolute deviations of 11.9% and 0.29% for the excess molar heat capacity and the heat capacity, respectively. The heat capacities presented in this study are, in general, of sufficient accuracy for most engineering-design calculations. Solutions of alkanolamines are industrially important mixtures used in the natural gas industry, oil refineries, petroleum chemical plants, and synthetic ammonia plants for the removal of acidic components such as CO{sub 2} and H{sub 2}S from gas streams.« less

Microleakage of stainless steel crowns placed on intact and extensively destroyed primary first molars: an in vitro study.

PubMed

Seraj, Bahman; Shahrabi, Mahdi; Motahari, Pouria; Ahmadi, Rahil; Ghadimi, Sara; Mosharafian, Shahram; Mohammadi, Kaveh; Javad Kharazifard, Mohammad

2011-01-01

The purpose of this investigation was to evaluate the effect of residual tooth structure on the microleakage of stainless steel crowns cemented with glass ionomer on primary maxillary and mandibular first molars. Thirty extracted primary molars were divided into 2 groups: group 1 included intact teeth; and group 2 included extensively carious samples. Each tooth received standard preparation, and each crown was luted with G-CEM on its specific specimen. Teeth were loaded vertically and transferred to distilled water. After thermocycling and immersing in methylene blue solution, the teeth were sectioned and examined microscopically for microleakage. Data were analyzed using Mann-Whitney U and Wilcoxon signed-rank tests. All specimens (intact and damaged teeth) had microleakage, although most of these presented only minimum microleakage. No statistically significant differences were found in the microleakage of sound and extensively carious teeth on either the buccal (P=.62) or lingual (P=.65) side. Buccal (P=.73) and lingual (P=.63) surfaces showed similar microleakage scores in primary maxillary and mandibular molars. There was no significant difference in the microleakage of sound or extensively carious teeth and primary maxillary or mandibular first molars.

Effect of low-concentration povidone iodine on postoperative complications after third molar surgery: a pilot split-mouth study.

PubMed

Mahmoud Hashemi, Hamid; Mohammadi, Farnoosh; Hasheminasab, Mahboube; Mahmoud Hashemi, Ali; Zahraei, Shohreh; Mahmoud Hashemi, Talieh

2015-01-01

Povidone iodine is used primarily as an antiseptic to decrease surgical site infection. Its hemostatic and antiedematous properties in oral surgery also have been investigated recently. A randomized controlled clinical trial was performed in 30 patients undergoing mandibular third molar removal in a split-mouth design. In the study group, a povidone iodine solution with a concentration of 0.5 mg/mL was used as the coolant and irrigant solution, whereas normal saline was used in the control group. Swelling (orotragus and mentotragus distances), trismus (maximum interincisal opening), and pain (visual analog scale score) were evaluated on postoperative days 2 and 7. In the study group, a significant decrease in swelling and trismus was observed at the 2 postoperative visits (P = .00) compared with the control group. The decrease of pain in the study group was not statistically significant at either postoperative visit (P > .05). More patients (63%) were subjectively satisfied with the side treated with povidone iodine. Povidone iodine irrigation is an inexpensive and safe method to lessen the postoperative sequelae of third molar surgery. Copyright © 2015. Published by Elsevier Inc.

Visualization of Problem Solving Related to the Quantitative Composition of Solutions in the Dynamic "GeoGebra" Environment

ERIC Educational Resources Information Center

Kostic, V. Dj.; Jovanovic, V. P. Stankov; Sekulic, T. M.; Takaci, Dj. B.

2016-01-01

Problem solving in the field of quantitative composition of solutions (QCS), expressed as mass share and molar concentration, is essential for chemistry students. Since successful chemistry education is based on different mathematical contents, it is important to be proficient in both mathematical and chemistry concepts as well as interconnections…

21 CFR 640.82 - Tests on final product.

Code of Federal Regulations, 2012 CFR

2012-04-01

... percent; 5.0 ±0.30 percent; 20.0 ±1.2 percent; and 25.0 ±1.5 percent solution of protein. (b) Protein... solution of the final product diluted to a concentration of 1 percent protein with 0.15 molar sodium... exceed 2 milliequivalents per liter. (f) Heat stability. A final container sample of Albumin (Human...

21 CFR 640.82 - Tests on final product.

Code of Federal Regulations, 2013 CFR

2013-04-01

... percent; 5.0 ±0.30 percent; 20.0 ±1.2 percent; and 25.0 ±1.5 percent solution of protein. (b) Protein... solution of the final product diluted to a concentration of 1 percent protein with 0.15 molar sodium... exceed 2 milliequivalents per liter. (f) Heat stability. A final container sample of Albumin (Human...

21 CFR 640.82 - Tests on final product.

Code of Federal Regulations, 2014 CFR

2014-04-01

... percent; 5.0 ±0.30 percent; 20.0 ±1.2 percent; and 25.0 ±1.5 percent solution of protein. (b) Protein... solution of the final product diluted to a concentration of 1 percent protein with 0.15 molar sodium... exceed 2 milliequivalents per liter. (f) Heat stability. A final container sample of Albumin (Human...

Synthesis of copper nanocolloids using a continuous flow based microreactor

NASA Astrophysics Data System (ADS)

Xu, Lei; Peng, Jinhui; Srinivasakannan, C.; Chen, Guo; Shen, Amy Q.

2015-11-01

The copper (Cu) nanocolloids were prepared by sodium borohydride (NaBH4) reduction of metal salt solutions in a T-shaped microreactor at room temperature. The influence of NaBH4 molar concentrations on copper particle's diameter, morphology, size distribution, and elemental compositions has been investigated by transmission electron microscopy (TEM) and X-ray diffraction (XRD). The ultraviolet-visible spectroscopy (UV-vis) was used to verify the chemical compounds of nanocolloids and estimate the average size of copper nanocolloids. The synthesized copper nanocolloids were uniform in size and non-oxidized. A decrease in the mean diameter of copper nanocolloids was observed with increasing NaBH4 molar concentrations. The maximum mean diameter (4.25 nm) occurred at the CuSO4/NaBH4 molar concentration ratio of 1:2.

Process for the recovery of strontium from acid solutions

DOEpatents

Horwitz, E.P.; Dietz, M.L.

1992-03-31

The invention is a process for selectively extracting strontium and technetium values from aqueous nitric acid waste solutions containing these and other fission product values. The extractant is a macrocyclic polyether in a diluent which is insoluble in water, but which will itself dissolve a small amount of water. The process will extract strontium and technetium values from nitric acid solutions which are up to 6 molar in nitric acid. 5 figs.

A systematic review of dental disease management in cancer patients.

PubMed

Hong, Catherine H L; Hu, Shijia; Haverman, Thijs; Stokman, Monique; Napeñas, Joel J; Braber, Jacolien Bos-den; Gerber, Erich; Geuke, Margot; Vardas, Emmanouil; Waltimo, Tuomas; Jensen, Siri Beier; Saunders, Deborah P

2018-01-01

This systematic review aims to update on the prevalence of odontogenic-related infections and the efficacy of dental strategies in preventing dental-related complications in cancer patients since the 2010 systematic review. A literature search was conducted in the databases MEDLINE/PubMed and EMBASE for articles published between 1 January 2009 and 30 June 2016. Each study was assessed by 2 reviewers and the body of evidence for each intervention was assigned an evidence level. After examination of the abstracts and full-text articles, 59 articles satisfied the inclusion criteria. The weighted prevalence of dental infections and pericoronitis during cancer therapy was 5.4 and 5.3%, respectively. The frequency of dental-related infections during intensive chemotherapy after complete, partial, and minimal pre-cancer dental evaluation/treatment protocols ranged from 0 to 4%. Protocols involving third molars extractions had the highest complications (40%). In view of the low prevalence of infections and the potential for complications after third molar extractions, it is suggested that partial dental evaluation/treatment protocols prior to intensive chemotherapy; whereby minor caries (within dentin), asymptomatic third molars or asymptomatic teeth without excessive probing depth (<8 mm), mobility (mobility I or II) or with periapical lesions of <5 mm were observed; is a viable option when there is insufficient time for complete dental evaluation/treatment protocols. The use of chlorhexidine, fluoride mouth rinses as well as composite resin, resin-modified glass ionomer cement (GIC), and amalgam restorations over conventional GIC in post head and neck radiation patients who are compliant fluoride users is recommended.

Controlling ZIF-67 crystals formation through various cobalt sources in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Xiangli; Jiangsu Key Laboratory of Advanced Metallic Materials, Nanjing 211189; Xing, Tiantian

2016-03-15

Zeolitic imidazolate frameworks ZIF-67 were prepared under hydrothermal (120 °C) and non-hydrothermal (room temperature) from various cobalt sources and 2-methylimidazolate (Hmim) in aqueous solution within 30 min. The particle size and morphology were found to be related to the reactivity of the cobalt salt, Hmim/Co{sup 2+} molar ratios and experimental condition. Using Co(NO{sub 3}){sub 2} as cobalt source, small-sized ZIF-67 crystals with agglomeration were formed. For CoCl{sub 2}, small-sized rhombic dodecahedron were obtained. While large-sized crystals of rhombic dodecahedron structure were obtained from CoSO{sub 4} and Co(OAc){sub 2}. Under hydrothermal condition, the size of ZIF-67 crystals tended to be moremore » uniform and the morphology were more regular comparing to non-hydrothermal condition. This study provides a simple way to control the size and morphology of ZIF-67 crystals prepared in aqueous solution. - Graphical abstract: Zeolitic imidazolate frameworks ZIF-67 were prepared under hydrothermal (120 °C) and non-hydrothermal (room temperature) from four different cobalt sources (Co(NO{sub 3}){sub 2}, CoCl{sub 2}, CoSO{sub 4} and Co(OAc){sub 2}) in aqueous solution within 30 min. The particle size and morphology were found to be related to the reactivity of the cobalt salt, Hmim/Co{sup 2+} molar ratios and experimental condition. - Highlights: • The particle size and morphology were determined by the reactivity of cobalt salt. • ZIF-67 could be prepared from CoSO{sub 4} and Co(OAc){sub 2} at Hmim/Co{sup 2+} molar ratio of 10. • Uniform and regular particles were obtained under hydrothermal condition.« less

Experimental study of the bending elasticity of charged lipid bilayers in aqueous solutions with pH5

NASA Astrophysics Data System (ADS)

Mitkova, D.; Stoyanova-Ivanova, A.; Ermakov, Yu A.; Vitkova, V.

2012-12-01

Exposure to high concentrations of contaminations due to air polluting gases, vapours and aerosols and possibly altering the normal pH in the body could lead to undesirable changes in the properties of biological cells. Here, we study experimentally the mechanical properties of synthetic phospholipid bilayers containing increasing molar fractions (up to 0.15) of charged lipid (synthetic phosphatidylserine) in aqueous solutions with controlled ionic strength and at pH 5, which is slightly lower than the physiological values of pH. Our observations in phase contrast and fluorescence testified to the coexistence of two phases in membranes for temperatures below 29°C. Micro-sized inhomogeneities in vesicle membranes were systematically observed at temperatures lower than 29°C and for molar fractions of phosphatidylserine in the bilayer higher than 0.1. For the quantitative determination of the membrane bending rigidity, we applied thermal fluctuation analysis of the shape of quasispherical lipid vesicles. As far as the liquid-crystalline state of the bilayer is a necessary condition for the application of the experimental method, only vesicles satisfying this requirement were processed for determination of their membrane bending rigidity. The value obtained for the bending modulus of bilayers with 0.15 molar content of charged lipid is about two times higher than the bending modulus of uncharged membranes in the same bathing solution. These findings are in qualitative agreement with our previous results for the bending rigidity of charged bilayers, measured by vesicle micromanipulation.

The study of new complex compounds of Ni (II) and Co (II) with N- hydroxy-succinimide and their potential applications as sensors

NASA Astrophysics Data System (ADS)

Sibiescu, Doina; Tutulea, Mihaela-Dana; Mîţă, Carmen; Stan, Corneliu; Roţca, Ioan; Vizitiu, Mihaela

2010-11-01

In this paper, the study of obtaining new coordination compounds of Ni (II) and Co(II) using as ligand, N-hydroxy-succinimide, was presented. Also, the stability constants of these compounds in aqueous medium were determined. The obtaining conditions and the stability of the new compounds were accomplished in aqueous solutions using characteristic methods for coordination compounds: pH-metry, conductometry and UV-VIS absorption spectroscopy. The combination ratios and the stability constants were determined with methods characteristic for studies in solutions. From experimental data resulted that the combination ratio of central metallic atoms with the ligand N-hydroxy-succinimide was: 1:1 and respectively 1:2. In the experiments were used salts of NiCl2.6H2O and CoCl2.6H2O. The optimal domain of pH stability of the studied compounds is limited between 5.74 - 5.86 for Co- N-hydroxy-succinimide (for molar ratio 1:1 and 1:2) and respectively 5.69 - 5.87 for Ni-N-hydroxysuccinimide( for molar ratio 1:1 and 1:2, too). It is important to mention that these compounds were used with very good results in determination of wastewaters from textile, metallurgical, chemical and food industry. Complexion reactions with this ligand are very sensitive for the cations in this paper mentioned. Therefore it is used most often with success in analytical chemistry and also it is posibil to use as sensors. The new complex compounds has electronics transitions at λ = 517 nm for both complexes Co-N-hydroxy-succinimide at molar ratio 1:1 and 1:2 and also at the same λ = 397nm for Ni-N-hydroxysuccinimide at molar ratio 1:1 and 1:2. These complexes compounds was separated and recrystallized from aqueous solution. From the spectrophotometric data it was determined the type and the nature of the electronics transitions by Dq parameters.

Anesthetic efficacy of 1.8 mL versus 3.6 mL of 4% articaine with 1:100,000 epinephrine as a primary buccal infiltration of the mandibular first molar.

PubMed

Martin, Matthew; Nusstein, John; Drum, Melissa; Reader, Al; Beck, Mike

2011-05-01

No study has compared 1.8 mL and 3.6 mL 4% articaine with 1:100,000 epinephrine in a mandibular buccal infiltration of the first molar. The authors conducted a prospective, randomized, single-blind, crossover study comparing the degree of pulpal anesthesia obtained with 1.8 mL and 3.6 mL 4% articaine with 1:100,000 epinephrine as a primary infiltration in the mandibular first molar. Eighty-six asymptomatic adult subjects randomly received a primary mandibular buccal first molar infiltration of 1.8 mL or 3.6 mL 4% articaine with 1:100,000 epinephrine in two separate appointments. The authors used an electric pulp tester to test the first molar for anesthesia in 3-minute cycles for 90 minutes after the injections. Compared with the 1.8-mL volume of 4% articaine with 1:100,000 epinephrine, the 3.6-mL volume showed a statistically higher success rate (70% vs 50%). The anesthetic efficacy of 3.6 mL 4% articaine with 1:100,000 epinephrine is better than 1.8 mL of the same anesthetic solution in a primary mandibular buccal infiltration of the first molar. However, the success rate of 70% is not high enough to support its use as a primary injection technique in the mandibular first molar. Copyright © 2011 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

PROCESS FOR REMOVING ALUMINUM COATINGS

DOEpatents

Flox, J.

1959-07-01

A process is presented for removing aluminum jackets or cans from uranium slugs. This is accomplished by immersing the aluminum coated uranium slugs in an aqueous solution of 9 to 20% sodium hydroxide and 35 to 12% sodium nitrate to selectively dissolve the aluminum coating, the amount of solution being such as to obtain a molar ratio of sodium hydroxide to aluminum of at least

Multiple extraction patterns in severe discrepancy cases.

PubMed

Anderson, B D

1975-10-01

Thirty-five cases have been collected from colleagues which illustrate that removal of additional maxillary teeth, following first bicuspid extractions, can allow the successful resolution of difficult discrepancy and anchorage cases. Charts 1 and 2 describe the amounts of space that might be expected by removal of additional upper bicuspids, upper first molars, and upper second molars. The findings on upper second molars are admittedly limited. Anchorage values as expressed by an efficiency percentage were approximately what would be expected from a study of anchorage values of the roots of teeth. The removal of upper second bicuspids has a better anchorage efficiency potential than the upper first molar, but this may be overcome somewhat by the greater size of the molar. Clear guidance cannot be given as to which teeth to remove in a specific case, but it is the observation of the author that for cases that are still in full Class II following four bicuspid space closure, upper second bicuspid removal would be more helpful from an anchorage perspective, whereas for cases that are in end-to-end molar relationship or require only a few millimeters to move into Class I, the upper first molar might be the tooth of choice. Also, the supper first molar removal allows for a more "normal" appearing arch assuming normal alignment and size of the upper second and third molars. The comparison with the nonextraction control group showed an enormous difference in the amount of incisor retraction that extractions provide when related to the maxilla. The nonextraction control group, though experiencing dramatic correction of Class II relationships, showed no incisor movement within the maxilla. Some problems which appeared in the sample were described. Removal of upper teeth in addition to the four first bicuspids can be a solution to an occasional anchorage, skeletal, growth or cooperation problem.

Control of temperature and aqueous Mg2+/Ca2+ ratio on the (trans-)formation of ikaite

NASA Astrophysics Data System (ADS)

Purgstaller, B.; Dietzel, M.; Baldermann, A.; Mavromatis, V.

2017-11-01

The calcium carbonate hexahydrate mineral ikaite (CaCO3 ṡ 6 H2O) has been documented in aquatic environments at near-freezing temperatures. An increase of the prevailing temperature in the depositional environment, results in the transformation of natural ikaite into less soluble calcium carbonate phases occasionally leaving calcite pseudomorphs in the sediments, which are considered as an indicator for primary cold water temperatures. Detailed understanding on the physicochemical parameters controlling ikaite (trans-)formation however, such as temperature and reactive solution chemical composition, are still under debate. In order to study the formation of ikaite, we conducted precipitation experiments under controlled physicochemical conditions (pH = 8.3 ± 0.1; T = 6, 12, and 18 ± 0.1 °C) at defined aqueous molar Mg/Ca ratios. The transformation of ikaite into anhydrous calcium carbonate polymorphs was investigated in solution and at air exposure. The obtained results reveal the formation of ikaite at temperatures up to 12 °C, whereas Mg-rich amorphous calcium carbonate precipitated at 18 °C. In contact with the reactive solution ikaite transformed into aragonite at aqueous molar Mg2+/Ca2+ ratios of ≥14. In contrast, ikaite separated from the Mg-rich solution and exposed to air transformed in all cases into calcite/vaterite. The herein obtained temperature limit of ≤12 for ikaite formation is significantly higher than formerly expected and most probably caused by (i) the high saturation degree of the solution with respect to ikaite and (ii) the slow dehydration of the aqueous Ca2+ ion at low temperatures. This result questions the suitability of calcite pseudomorphs (i.e. glendonites) as a proxy for near-freezing temperatures. Moreover, our findings show that the CaCO3 polymorph formed from ikaite is strongly controlled by the physicochemical conditions, such as aqueous molar Mg2+/Ca2+ ratio of the reactive fluid and H2O availability throughout the transformation process.

Postdoc Proposal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dorhout, Jacquelyn Marie

2017-11-21

The goal of this project is to determine whether variables such as the molarity of nitric acid (HNO 3), temperature, and surface characteristics of uranium materials have an effect on the fractionation of 15N between the solution and vapor phases.

Hydrogen uptake characteristics of mischmetal based alloy

NASA Astrophysics Data System (ADS)

Jain, Ankur; Jain, R. K.; Jain, I. P.

Hydrogen storage properties of Mm 39.2Ni 42.1Mn 4.9Al 1.25Co 10.2Fe 2.35 alloy have been systematically studied in the present work. An attempt is made to relate the content of hydrogen with change in resistance. It is found that the resistance of material increases with the increase in value of H/ M due to hydrogen absorption. Pressure composition (P-C-T) isotherm using water displacement method has been investigated in the temperature and pressure ranges of 308 ≤ T ≤ 338 K and 0.5 ≤ P ≤ 10 bar, respectively. The P-C isotherms show the presence of two single α and β regions one mixed α + β phase. The maximum H (wt%) was found to be around 1.53 at 308 K and around 6 bar. Since enthalpy is an index of thermochemical stability of metal hydride the thermo dynamical parameters viz., the relative partial molar enthalpy (Δ H) and relative partial molar entropy (Δ S) of dissolved hydrogen have been calculated by plotting the Van't Hoff plot. The variation of Δ H and Δ S with the hydrogen concentration confirm the phase boundaries.

The e[sup [minus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holroyd, R.A.; Schwarz, H.A.; Stradowska, E.

The rate constants for attachment of excess electrons to 1,3-butadiene (k[sub a]) and detachment from the butadiene anion (k[sub d]) in n-hexane are reported. The equilibrium constant, K[sub eq] = k[sub a]/k[sub d], increases rapidly with pressure and decreases as the temperature increases. At -7[degree]C attachment is observed at 1 bar. At high pressures the attachment rate is diffusion controlled. The activation energy for detachment is about 21 kcal/mol; detachment is facilitated by the large entropy of activation. The reaction volumes for attachment range from -181 cm[sup 3]/mol at 400 bar to-122 cm[sup 3]/mol at 1500 bar and are largelymore » attributed to the electrostriction volume of the butadiene anion ([Delta][bar V][sub el]). Values of [Delta][bar V][sub el] calculated by a model, which includes a glassy shell of solvent molecules around the ion, are in agreement with experimental reaction volumes. The analysis indicates the partial molar volume of the electron in hexane is small and probably negative. It is shown that the entropies of reaction are closely related to the partial molar volumes of reaction. 22 refs., 5 figs., 5 tabs.« less

Partial hydatidiform mole with false-negative urine human chorionic gonadatropin test in the emergency department.

PubMed

Mundangepfupfu, Tichaendepi; Waseem, Muhammad

2014-03-01

Hydatidiform mole (molar pregnancy) is a benign tumor of placental trophoblastic cells, which release human chorionic gonadotropin (hCG). Several case reports have described complete hydatidiform moles with false-negative urine qualitative hCG tests. These negative pregnancy tests have been attributed to the hook effect. We report an unusual presentation of a partial mole and review an alternative explanation for the negative hCG test. As partial moles are usually not associated with a large proliferation of trophoblastic cells, levels of hCG are commonly < 100,000 mIU/mL. The most common presentation of a hydatidiform mole is vaginal bleeding. Hydatidiform mole is associated with a risk of malignant transformation and disseminated disease. In a pregnant patient, vaginal bleeding and abdominal pain are common presentations. Molar pregnancy is an uncommon cause of abdominal pain and vaginal bleeding that should be considered. A 47-year-old female presented to the emergency department with abdominal pain and vaginal bleeding. Urine qualitative hCG was negative and serum quantitative hCG was 1,094,950 mIU/mL. Pelvic ultrasonography showed a uterine cavity containing a soft-tissue mass with multiple cystic lesions and the hydatidiform mole was extracted with suction curettage. Tissue pathology confirmed partial hydatidiform mole. In addition to the hook effect, we present another possible explanation for the false-negative test; namely the inability of some assays to detect hCG-degradation products, which may be higher in clinical samples from patients with hydatidiform mole. This case underscores the importance of knowing the limitations of the commonly used hCG assays. Copyright © 2014 Elsevier Inc. All rights reserved.

[Determination of the solubility parameter of organosolv lignin by inverse gas chromatography].

PubMed

Yu, Yachen; Li, Kunlan; Ma, Yingchong; Wei, Ligang

2013-02-01

An inverse gas chromatographic (IGC) method has been used to measure the solubility parameters (delta2) of organosolv lignin at the absolute temperatures from 333.15 K to 373.15 K. The test probe solvents were n-octane (n-C8), n-decane (n-C10), n-dodecane (n-C12), and n-tetradecane (n-C14). The specific retention volumes of the solvents (Vg0), the molar enthalpy of sorption (deltaH1S), the partial molar enthalpy of mixing at infinite dilution (deltaH1infinity), the molar enthalpy of vaporization (deltaHv), the activity coefficients at infinite dilution (Omega1- infinity), and Flory-Huggins inter action parameters (chi12infinity) between organosolv lignin and probe solvents were obtained. The results showed that the above four probes are poor solvents for organosolv lignin; at the same temperature, the chi12infinity reduced with the increase of the carbon number of probe solvents. The average solubility parameter of organosolv lignin was determined as 19.03 (J x cm(-3))1/2.

SEPARATION OF URANYL NITRATE BY EXTRACTION

DOEpatents

Stoughton, R.W.; Steahly, F.L.

1958-08-26

A process is presented for obtaining U/sup 233/ from solutions containing Pa/sup 233/. A carrier precipitate, such as MnO/sub 2/, is formed in such solutions and carries with it the Pa/sup 233/ present. This precipitate is then dissolved in nitric acid and the solution is aged to allow decay of the Pa/ sup 233/ into U/sup 233/. After a sufficient length of time the U/sup 233/ bearing solution is made 2.5 to 4.5 Molar in manganese nitrate by addition thereof, and the solution is then treated with ether to obtain uranyl nitrate by solvent extraction techniques.

Glass transition behavior of ternary disaccharide-ethylene glycol-water solutions

NASA Astrophysics Data System (ADS)

Yu, Tongxu; Zhao, Lishan; Wang, Qiang; Cao, Zexian

2017-06-01

Glass transition behavior of ternary disaccharide-ethylene glycol-water solutions, in reference to that of the binary combinations, has been investigated towards a better understanding of their cryoprotective ability. In water-deficient solutions, the disaccharides, including trehalose, sucrose and maltose, can associate with more than 100 ethylene glycol molecules to form amorphous complex, one order of magnitude larger than the corresponding hydration numbers. In water-rich solutions, a second glass transition emerges with increasing molar fraction of ethylene glycol, indicating the possible synergy of disaccharides and ethylene glycol in vitrification of the ternary aqueous solution.

Process for extracting technetium from alkaline solutions

DOEpatents

Moyer, Bruce A.; Sachleben, Richard A.; Bonnesen, Peter V.

1995-01-01

A process for extracting technetium values from an aqueous alkaline solution containing at least one alkali metal hydroxide and at least one alkali metal nitrate, the at least one alkali metal nitrate having a concentration of from about 0.1 to 6 molar. The solution is contacted with a solvent consisting of a crown ether in a diluent for a period of time sufficient to selectively extract the technetium values from the aqueous alkaline solution. The solvent containing the technetium values is separated from the aqueous alkaline solution and the technetium values are stripped from the solvent.

Assorted interactions of amino acids prevailing in aqueous vitamin C solutions probed by physicochemical and ab-initio contrivances

NASA Astrophysics Data System (ADS)

Das, Koyeli; Roy, Milan Chandra; Rajbanshi, Biplab; Roy, Mahendra Nath

2017-11-01

Qualitative and quantitative analysis of molecular interaction prevailing in tyrosine and tryptophan in aqueous solution of vitamin C have been probed by thermophysical properties. The apparent molar volume (ϕV), viscosity B-coefficient, molal refraction (RM) of tyrosine and tryptophan have been studied in aqueous vitamin C solutions at diverse temperatures via Masson equation which deduced solute-solvent and solute-solute interactions, respectively. Spectroscopic study along with physicochemical and computational techniques provides lots of interesting and highly significant insights of the model biological systems. The overall results established strong solute-solvent interactions between studied amino acids and vitamin C mixture in the ternary solutions.

The CPA Equation of State and an Activity Coefficient Model for Accurate Molar Enthalpy Calculations of Mixtures with Carbon Dioxide and Water/Brine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myint, P. C.; Hao, Y.; Firoozabadi, A.

2015-03-27

Thermodynamic property calculations of mixtures containing carbon dioxide (CO 2) and water, including brines, are essential in theoretical models of many natural and industrial processes. The properties of greatest practical interest are density, solubility, and enthalpy. Many models for density and solubility calculations have been presented in the literature, but there exists only one study, by Spycher and Pruess, that has compared theoretical molar enthalpy predictions with experimental data [1]. In this report, we recommend two different models for enthalpy calculations: the CPA equation of state by Li and Firoozabadi [2], and the CO 2 activity coefficient model by Duanmore » and Sun [3]. We show that the CPA equation of state, which has been demonstrated to provide good agreement with density and solubility data, also accurately calculates molar enthalpies of pure CO 2, pure water, and both CO 2-rich and aqueous (H 2O-rich) mixtures of the two species. It is applicable to a wider range of conditions than the Spycher and Pruess model. In aqueous sodium chloride (NaCl) mixtures, we show that Duan and Sun’s model yields accurate results for the partial molar enthalpy of CO 2. It can be combined with another model for the brine enthalpy to calculate the molar enthalpy of H 2O-CO 2-NaCl mixtures. We conclude by explaining how the CPA equation of state may be modified to further improve agreement with experiments. This generalized CPA is the basis of our future work on this topic.« less

Hippocampus-dependent spatial memory impairment due to molar tooth loss is ameliorated by an enriched environment.

PubMed

Kondo, Hiroko; Kurahashi, Minori; Mori, Daisuke; Iinuma, Mitsuo; Tamura, Yasuo; Mizutani, Kenmei; Shimpo, Kan; Sonoda, Shigeru; Azuma, Kagaku; Kubo, Kin-ya

2016-01-01

Teeth are crucial, not only for mastication, but for overall nutrition and general health, including cognitive function. Aged mice with chronic stress due to tooth loss exhibit impaired hippocampus-dependent learning and memory. Exposure to an enriched environment restores the reduced hippocampal function. Here, we explored the effects of an enriched environment on learning deficits and hippocampal morphologic changes in aged senescence-accelerated mouse strain P8 (SAMP8) mice with tooth loss. Eight-month-old male aged SAMP8 mice with molar intact or with molars removed were housed in either a standard environment or enriched environment for 3 weeks. The Morris water maze was performed for spatial memory test. The newborn cell proliferation, survival, and differentiation in the hippocampus were analyzed using 5-Bromodeoxyuridine (BrdU) immunohistochemical method. The hippocampal brain-derived neurotrophic factor (BDNF) levels were also measured. Mice with upper molars removed (molarless) exhibited a significant decline in the proliferation and survival of newborn cells in the dentate gyrus (DG) as well as in hippocampal BDNF levels. In addition, neuronal differentiation of newly generated cells was suppressed and hippocampus-dependent spatial memory was impaired. Exposure of molarless mice to an enriched environment attenuated the reductions in the hippocampal BDNF levels and neuronal differentiation, and partially improved the proliferation and survival of newborn cells, as well as the spatial memory ability. These findings indicated that an enriched environment could ameliorate the hippocampus-dependent spatial memory impairment induced by molar tooth loss. Copyright © 2015 Elsevier Ltd. All rights reserved.

Triple paternal contribution to a normal/complete molar chimeric singleton placenta.

PubMed

Ariel, I; Goldman-Wohl, D; Yagel, S; Gazit, E; Loewenthal, R

2017-05-01

A comprehensive study of unusual cases of placental pathology may provide insight into mechanisms of normal human fertilization and early embryonic development by examining the exception to the rule. A gravida three para two 39-year-old woman was monitored by ultrasound from 16 weeks of gestation for cystic placenta. A female newborn was born at 36 weeks gestation. Pathologic examination of the partially cystic placenta revealed a singleton placenta comprised of 2/3 normal placenta and 1/3 complete hydatidiform mole, largely degenerated. Immunostaining for p57 was negative in stromal cells of the molar villi. Chromogenic in-situ hybridization revealed diploidy in both normal and molar parts. A total of 16 microsatellites were studied by short tandem repeat analysis, 11 of which were informative. The analysis revealed bipaternal molar tissue of dispermic origin. The paternal monospermic contribution to the normal part was different from that in the molar part, thus resulting in tripaternal contribution to the conceptus. A chimera is a single organism composed of two or more different populations of genetically distinct cells that originated from different zygotes (tetragametic) whereas mosaic is a mixture of two cell lines in one organism originating from one zygote. The possible mechanisms leading to the formation of chimeric/mosaic placenta in our case (one of the components being complete hydatidiform mole), including twinning, fusion at an early embryonic stage and diploidization of triploids, are discussed. © The Author 2017. Published by Oxford University Press on behalf of the European Society of Human Reproduction and Embryology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Reconstructing temporal variation of fluoride uptake in eastern grey kangaroos (Macropus giganteus) from a high-fluoride area by analysis of fluoride distribution in dentine.

PubMed

Kierdorf, Horst; Rhede, Dieter; Death, Clare; Hufschmid, Jasmin; Kierdorf, Uwe

2016-04-01

Trace element profiling in the incrementally formed dentine of mammalian teeth can be applied to reconstruct temporal variation of incorporation of these elements into the tissue. Using an electron microprobe, this study analysed fluoride distribution in dentine of first and third mandibular molars of free-ranging eastern grey kangaroos inhabiting a high-fluoride area, to assess temporal variation in fluoride uptake of the animals. Fluoride content in the early-formed dentine of first molars was significantly lower than in the late-formed dentine of these teeth, and was also lower than in both, the early and the late-formed dentine of third molars. As early dentine formation in M1 takes place prior to weaning, this finding indicates a lower dentinal fluoride uptake during the pre-weaning compared to the post-weaning period. This is hypothetically attributed to the action of a partial barrier to fluoride transfer from blood to milk in lactating females and a low bioavailability of fluoride ingested together with milk. Another factor contributing to lower plasma fluoride levels in juveniles compared to adults is the rapid clearance of fluoride from blood plasma in the former due to their intense skeletal growth. The combined action of these mechanisms is considered to explain why in kangaroos from high-fluoride areas, the (early-formed) first molars are not affected by dental fluorosis while the (later-formed) third and fourth molars regularly exhibit marked to severe fluorotic lesions. Copyright © 2015 Elsevier Ltd. All rights reserved.

In vitro effect of fluoride oral hygiene tablets on artificial caries lesion formation and remineralization in human enamel

PubMed Central

Gängler, Peter; Kremniczky, Thomas; Arnold, Wolfgang H

2009-01-01

Background Aim of this in-vitro-study was to assess the remineralization potential of a tooth cleaning tablet with different fluoride content. Methods Twenty three caries free impacted third molars were examined, enamel surfaces were wax coated leaving two 3 × 4 mm windows for exposure to demineralization/remineralization cycles. The teeth were randomly assigned to 4 groups of 5 control and 6 experimental teeth. Demineralization by standardised HEC-gel, pH 4.7 at 37°C for 72 h, was alternated by rinsing in remineralization solution, pH 7.0 at 37°C for 72 h, total challenge time 432 h. The negative control group N was treated during remineralization cycles with saline; positive control group P was treated with remineralization solution; experimental group D1 was exposed to remineralization solution containing Denttabs®-tablets with 1450 ppm F; experimental group D2 was exposed to remineralization solution and Denttabs®-tablets with 4350 ppm F. Each tooth was cut into serial sections and analyzed by polarized light microscopy for assessment of the different zones of white-spot lesions in 3 representative sections. Statistical analysis was based on the Mann-Whitney-Test. Results Both control groups N(-) and P(+) exhibited characteristic white-spot lesions. The remineralization and the demineralization inhibition of the lesions increased considerably from N

Typhoon impacts on chemical weathering source provenance of a High Standing Island watershed, Taiwan

NASA Astrophysics Data System (ADS)

Meyer, Kevin J.; Carey, Anne E.; You, Chen-Feng

2017-10-01

Chemical weathering source provenance changes associated with Typhoon Mindulle (2004) were identified for the Choshui River Watershed in west-central Taiwan using radiogenic Sr isotope (87Sr/86Sr) and major ion chemistry analysis of water samples collected before, during, and following the storm event. Storm water sampling over 72 h was conducted in 3 h intervals, allowing for novel insight into weathering regime changes in response to intense rainfall events. Chemical weathering sources were determined to be bulk silicate and disseminated carbonate minerals at the surface and silicate contributions from deep thermal waters. Loss on ignition analysis of collected rock samples indicate disseminated carbonate can compose over 25% by weight of surface mineralogy, but typically makes up ∼2-3% of watershed rock. 87Sr/86Sr and major element molar ratios indicate that Typhoon Mindulle caused a weathering regime switch from normal flow incorporating a deep thermal signature to that of a system dominated by surface weathering. The data suggest release of silicate solute rich soil pore waters during storm events, creating a greater relative contribution of silicate weathering to the solute load during periods of increased precipitation and runoff. Partial depletion of this soil solute reservoir and possible erosion enhanced carbonate weathering lead to increased importance of carbonates to the weathering regime as the storm continues. Major ion data indicate that complex mica weathering (muscovite, biotite, illite, chlorite) may represent an important silicate weathering pathway in the watershed. Deep thermal waters represent an important contribution to river solutes during normal non-storm flow conditions. Sulfuric acid sourced from pyrite weathering is likely a major weathering agent in the Choshui River watershed.

Partial Pressures of Te2 and Thermodynamic Properties of Ga-Te System

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Curreri, Peter A. (Technical Monitor)

2001-01-01

The partial pressures of Te2 in equilibrium with Ga(1-x)Te(x) samples were measured by optical absorption technique from 450 to 1100 C for compositions, x, between 0.333 and 0.612. To establish the relationship between the partial pressure of Te, and the measured optical absorbance, the calibration runs of a pure Te sample were also conducted to determine the Beer's Law constants. The partial pressures of Te2 in equilibrium with the GaTe(s) and Ga2Te3(s)compounds, or the so-called three-phase curves, were established. These partial pressure data imply the existence of the Ga3Te4(s) compound. From the partial pressures of Te2 over the Ga-Te melts, partial molar enthalpy and entropy of mixing for Te were derived and they agree reasonable well with the published data. The activities of Te in the Ga-Te melts were also derived from the measured partial pressures of Te2. These data agree well with most of the previous results. The possible reason for the high activity of Te measured for x less than 0.60 is discussed.

The determination of density and molecular weight distributions of lipoproteins by sedimentation equilibrium.

PubMed

Jeffrey, P D; Nichol, L W; Smith, G D

1975-01-25

A method is presented by which an experimental record of total concentration as a function of radial distance, obtained in a sedimentation equilibrium experiment conducted with a noninteracting mixture in the absence of a density gradient, may be analyzed to obtain the unimodal distributions of molecular weight and of partial molar volume when these vary concomitantly and continuously. Particular attention is given to the caracterization of classes of lipoproteins exhibiting Gaussian distributions of these quantities, although the analysis is applicable to other types of unimodal distribution. Equations are also formulated permitting the definition of the corresponding distributions of partial specific volume and of density. The analysis procedure is based on a method (employing Laplace transforms) developed previously, but differs from it in that it avoids the necessity of differentiating experimental results, which introduces error. The method offers certain advantages over other procedures used to characterize and compare lipoprotein samples (exhibiting unimodal distributions) with regard to the duration of the experiment, economy of the sample, and, particularly, the ability to define in principle all of the relevant distributions from one sedimentation equilibrium experiment and an external measurement of the weight average partial specific volume. These points and the steps in the analysis procedure are illustrated with experimental results obtained in the sedimentation equilibrium of a sample of human serum low density lipoprotein. The experimental parameters (such as solution density, column height, and angular velocity) used in the conduction of these experiments were selected on the basis of computer-simulated examples, which are also presented. These provide a guide for other workers interested in characterizing lipoproteins of this class.

METHOD FOR DISSOLVING ZIRCONIUM-URANIUM COMPOSITIONS

DOEpatents

Gens, T.A.

1961-07-18

A method is descrioed for treating a zirconium-- uranium composition to form a stable solution from which uranium and other values may be extracted by contacting the composition with at least a 4 molar aqueous solution of ammonium fluoride at a temperature of about 100 deg C, adding a peroxide, in incremental amounts, to the heated solution throughout the period of dissolution until all of the uranium is converted to soluble uranyl salt, adding nitric acid to the resultant solution to form a solvent extraction feed solution to convert the uranyl salt to a solvent extractable state, and thereafter recovering the uranium and other desired values from the feed solution by solvent extraction.

Analytical description of concentration dependence of surface tension in multicomponent systems

NASA Astrophysics Data System (ADS)

R, Dadashev; R, Kutuev; D, Elimkhanov

2008-02-01

From the basic fundamental thermodynamic expressions the equation of isotherms of the surface tension of a ternary system is received. Various assumptions concerning the concentration dependence of molar areas are usually made when the equation is derived. The dependence of the molar areas is calculated as an additive function of the structure of a volumetric phase or the structure of a surface layer. To define the concentration dependence of the molar areas we used a stricter thermodynamic expression offered by Butler. In the received equation the dependence of molar areas on the structure of the solution is taken into account. Therefore, the equation can be applied for the calculation of surface tension over a wide concentration range of the components. Unlike the known expressions, the equation includes the surface tension properties of lateral binary systems, which makes the accuracy of the calculated values considerably higher. Thus, among the advantages of the offered equation we can point out the mathematical simplicity of the received equation and the fact that the equation includes physical parameters the experimental definition of which does not present any special difficulties.

Bupivacaine 0.5 % versus articaine 4 % for the removal of lower third molars. A crossover randomized controlled trial

PubMed Central

Sancho-Puchades, Manuel; Vílchez-Pérez, Miguel A.; Paredes-García, Jordi; Berini-Aytés, Leonardo; Gay-Escoda, Cosme

2012-01-01

Objective: To compare the anesthetic action of 0.5% bupivacaine in relation to 4% articaine, both with 1:200,000 epinephrine, in the surgical removal of lower third molars. As a secondary objective hemodynamic changes using both anesthetics were analyzed. Study Design: Triple-blind crossover randomized clinical trial. Eighteen patients underwent bilateral removal of impacted lower third molars using 0.5% bupivacaine or 4% articaine in two different appointments. Preoperative, intraoperative and postoperative variables were recorded. Differences were assessed with McNemar tests and repeated measures ANOVA tests. Results: Both solutions exhibited similar latency times and intraoperative efficacy. Statistical significant lower pain levels were observed with bupivacaine between the fifth (p=0.011) and the ninth (p=0.007) postoperative hours. Bupivacaine provided significantly longer lasting soft tissue anesthesia (p<0.05). Systolic blood pressure and heart rate values were significantly higher with articaine. Conclusions: Bupivacaine could be a valid alternative to articaine especially due to its early postoperative pain prevention ability. Key words:Bupivacaine, articaine, third molar, anesthesia, postoperative pain. PMID:22143739

Endovascular embolization for the management of inferior alveolar artery bleeding after a third molar extraction: A case report.

PubMed

Bianchi, Bernardo; Varazzani, Anea; Ferri, Anea; Menozzi, Roberto; Sesenna, Enrico

2016-03-01

Removal of third molars is a common surgical procedure with low complication rates. Localized alveolar osteitis, infection, bleeding, and paresthesia are the four most common postoperative complications of third molar extraction reported in the literature. Postoperative severe hemorrhages are rare and are usually related to inferior alveolar artery damage. Although most bleeding is usually managed effectively by local compression or packing of the socket, even life-threatening complications may occur. Endovascular embolization has been rarely reported as treatment for such a complication and represents an ideal solution, with a low complication rate and excellent control of bleeding. The authors report a case of potentially life-threatening hemorrhage continuing 4 days after extraction of the mandibular right third molar, resulting in significant anemia (Hb 6.6 g/dL) and treated successfully with endovascular embolization of the inferior alveolar artery. The authors consider it important for general practitioners to know this treatment and how to manage this rare complication in the correct way, saving time if satisfactory hemostasis cannot be reached with common procedures.

Effect of co-existing copper and calcium on the removal of As(V) by reused aluminum oxides.

PubMed

Yang, J K; Park, Y J; Kim, K H; Lee, H Y; Min, K C; Lee, S M

2013-01-01

Among the various heavy metals, arsenic is frequently found in abandoned mine drainage and the environmental fate of arsenic in real aqueous solutions can be highly dependent on the presence of co-existing ions. In this study, removal of arsenate through adsorption on the reused aluminum oxide or through precipitation was investigated in a single and in a binary system as a function of pH and concentration. Different removal behaviors of arsenate were observed in the presence of different cations as well as a variation of the molar ratios of arsenate to cations. Co-operative effects on arsenate removal by precipitation in solution occurred with an increase of copper concentration, while a decrease of arsenate removal resulted in increasing calcium concentration. It was observed that the arsenate removal in the presence of calcium would be highly dependent on the molar ratios of both elements.

Low-Temperature Heat Capacities and Standard Molar Enthalpy of Formation of Potassium Benzoate C7H5O2K(s)

NASA Astrophysics Data System (ADS)

Yang, Wei-Wei; di, You-Ying; Yin, Zhen-Fen; Kong, Yu-Xia; Tan, Zhi-Cheng

2009-04-01

Potassium benzoate C7H5O2K (CAS Registry No. 582-25-2) was synthesized by the method of liquid phase reaction. Chemical and elemental analyses, FTIR, and X-ray powder diffraction (XRD) techniques were applied to characterize the composition and structure of the compound. Low-temperature heat capacities of the compound were measured by a precision automated adiabatic calorimeter over the temperature range from 78 K to 398 K. A polynomial equation of the heat capacities as a function of temperature was fitted by the least-squares method. Smoothed heat capacities and thermodynamic functions of the compound were calculated based on the fitted polynomial. In accordance with Hess’s law, a reasonable thermochemical cycle was designed, and 100 mL of 1 mol · dm-3 NaOH solution was chosen as the calorimetric solvent. The standard molar enthalpies of dissolution for the reactants and products of the supposed reaction in the selected solvent were measured by an isoperibol solution-reaction calorimeter. Finally, the standard molar enthalpy of formation of the title compound C7H5O2K (s) was derived to be -(610.94 ± 0.77) kJ · mol-1.

Standard Gibbs energy of formation of Mo 3Te 4 by emf measurements

NASA Astrophysics Data System (ADS)

Mallika, C.; Sreedharan, O. M.

1990-03-01

The emf of the galvanic cells Pt, Mo, MoO 2¦8 YSZ¦'FeO', Fe, Pt (I) and Pt, Fe,'FeO' ¦8 YSZ¦MoO 2, Mo 3Te 4, MoTe 2(α), C, Pt (II) were measured over the temperature ranges 837 to 1151 K and 775 to 1196 K, respectively, using 8 mass% yttria-stabilized zirconia (8 YSZ) as the solid electrolyte. From the emf values, the partial molar Gibbs energy of solution of molybdenum in Mo 3Te 4/MoTe 2(α), Δ ḠMo was found to be Δ ḠMo ± 1.19 ( kJ/mol) = -025.08 + 0.00420T(K) . Using the literature data for the Gibbs energy of formation of MoTe 2(α). the expression ΔG° f( Mo3Te4, s) ± 5.97 (kj/mol) = -253.58 + 0.09214 T( K) was derived for the range 775 to 1196 K. A third-law analysis yielded a value of -209 ± 10 kJ/mol for ΔH° f.298o of Mo 3Te 4(s).

Morphoregulation of teeth: modulating the number, size, shape and differentiation by tuning Bmp activity

PubMed Central

Plikus, Maksim V.; Zeichner-David, Maggie; Mayer, Julie-Ann; Reyna, Julia; Bringas, Pablo; Thewissen, J. G. M.; Snead, Malcolm L.; Chai, Yang; Chuong, Cheng-Ming

2015-01-01

SUMMARY During development and evolution, the morphology of ectodermal organs can be modulated so that an organism can adapt to different environments. We have proposed that morphoregulation can be achieved by simply tilting the balance of molecular activity. We test the principles by analyzing the effects of partial downregulation of Bmp signaling in oral and dental epithelia of the keratin 14-Noggin transgenic mouse. We observed a wide spectrum of tooth phenotypes. The dental formula changed from 1.0.0.3/1.0.0.3 to 1.0.0.2(1)/1.0.0.0. All mandibular and M3 maxillary molars were selectively lost because of the developmental block at the early bud stage. First and second maxillary molars were reduced in size, exhibited altered crown patterns, and failed to form multiple roots. In these mice, incisors were not transformed into molars. Histogenesis and differentiation of ameloblasts and odontoblasts in molars and incisors were abnormal. Lack of enamel caused misocclusion of incisors, leading to deformation and enlargement in size. Therefore, subtle differences in the level, distribution, and timing of signaling molecules can have major morphoregulatory consequences. Modulation of Bmp signaling exemplifies morphoregulation hypothesis: simple alteration of key signaling pathways can be used to transform a prototypical conical-shaped tooth into one with complex morphology. The involvement of related pathways and the implication of morphoregulation in tooth evolution are discussed. PMID:16174037

Solvation thermodynamics of L-cystine, L-tyrosine, and L-leucine in aqueous-electrolyte media

NASA Astrophysics Data System (ADS)

Roy, Sanjay; Guin, Partha Sarathi; Mahali, Kalachand; Dolui, Bijoy Krishna

2017-12-01

Solubilities of L-cystine, L-tyrosine, and L-leucine in aqueous NaCl media at 298.15 K have been studied. Indispensable and related solvent parameters such as molar mass, molar volume, etc., were also determined. The results are used to evaluate the standard transfer Gibbs free energy, cavity forming enthalpy of transfer, cavity forming transfer Gibbs free energy and dipole-dipole interaction effects during the course of solvation. Various weak interactions involving solute-solvent or solvent-solvent molecules were characterized in order to find their role on the solvation of these amino acids.

Boundary Approximation Methods for Sloving Elliptic Problems on Unbounded Domains

NASA Astrophysics Data System (ADS)

Li, Zi-Cai; Mathon, Rudolf

1990-08-01

Boundary approximation methods with partial solutions are presented for solving a complicated problem on an unbounded domain, with both a crack singularity and a corner singularity. Also an analysis of partial solutions near the singular points is provided. These methods are easy to apply, have good stability properties, and lead to highly accurate solutions. Hence, boundary approximation methods with partial solutions are recommended for the treatment of elliptic problems on unbounded domains provided that piecewise solution expansions, in particular, asymptotic solutions near the singularities and infinity, can be found.

Chitosan /Zeolite Y/Nano ZrO2 nanocomposite as an adsorbent for the removal of nitrate from the aqueous solution.

PubMed

Teimouri, Abbas; Nasab, Shima Ghanavati; Vahdatpoor, Niaz; Habibollahi, Saeed; Salavati, Hossein; Chermahini, Alireza Najafi

2016-12-01

In the present study, a series of chitosan/Zeolite Y/Nano Zirconium oxide (CTS/ZY/Nano ZrO 2 ) nanocomposites were made by controlling the molar ratio of chitosan (CTS) to Zeolite Y/Nano Zirconium oxide in order to remove nitrate (NO 3 - ) ions in the aqueous solution. The nanocomposite adsorbents were characterized by XRD, FTIR, BET, SEM and TEM. The influence of different molar ratios of CTS to ZY/Nano ZrO 2 , the initial pH value of the nitrate solution, contact time, temperature, the initial concentration of nitrate and adsorbent dose was studied. The adsorption isotherms and kinetics were also analyzed. It was attempted to describe the sorption processes by the Langmuir equation and the theoretical adsorption capacity (Q 0 ) was found to be 23.58mg nitrate per g of the adsorbent. The optimal conditions for nitrate removal were found to be: molar ratio of CTS/ZY/Nano ZrO 2 : 5:1; pH: 3; 0.02g of adsorbent and temperature: 35°C, for 60min. The adsorption capacities of CTS, ZY, Nano ZrO 2 , CTS/Nano ZrO 2 , CTS/ZY and CTS/ZY/Nano ZrO 2 nanocomposites for nitrate removal were compared, showing that the adsorption ability of CTS/ZY/Nano ZrO 2 nanocomposite was higher than the average values of those of CTS (1.95mg/g for nitrate removal), ZY, Nano ZrO 2 , CTS/Nano ZrO 2, and CTS/ZY. Copyright © 2016. Published by Elsevier B.V.

Self-compacting geopolymer concrete-a review

NASA Astrophysics Data System (ADS)

Ukesh Praveen, P.; Srinivasan, K.

2017-11-01

In this construction world, Geopolymer concrete is a special concrete which doesn’t requires the Ordinary Portland Cement and also reduces the emission of carbon-dioxide. The Geopolymer Concrete is made up of industrial by-products (which contains more Silica and Alumina) and activated with the help of Alkaline solution (combination of sodium hydroxide & sodium silicate or potassium hydroxide & potassium silicate). The high viscosity nature of Geopolymer Concrete had the ability to fail due to lack of compaction. In improvising the issue, Self Compacting Geopolymer Concrete has been introduced. The SCGC doesn’t require any additional compaction it will flow and compacted by its own weight. This concrete is made up of industrial by-products like Fly ash, GGBFS and Silica Fume and activated with alkaline solution. The earlier research was mostly on Fly ash based SCGC. In few research works Fly ash was partially replaced with GGBS and Silica Fume. They evaluated the compressive strength of concrete with varying molarities of NaOH; curing time and curing temperature. The flexural behaviour of the concrete also examined. The Fly ash based SCGC was got high compressive strength in heat curing as well as low compressive strength in ambient curing. The presence of GGBS improves the strength in ambient curing. For aiming the high strength in ambient curing Fly ash will be completely replace and examine with different mineral admixtures.

On the Solution of Elliptic Partial Differential Equations on Regions with Corners

DTIC Science & Technology

2015-07-09

In this report we investigate the solution of boundary value problems on polygonal domains for elliptic partial differential equations . We observe...that when the problems are formulated as the boundary integral equations of classical potential theory, the solutions are representable by series of...efficient numerical algorithms. The results are illustrated by a number of numerical examples. On the solution of elliptic partial differential equations on

Oxidative Alteration of Ferrous Smectites and Implications for the Redox Evolution of Early Mars

NASA Astrophysics Data System (ADS)

Chemtob, Steven M.; Nickerson, Ryan D.; Morris, Richard V.; Agresti, David G.; Catalano, Jeffrey G.

2017-12-01

Surface conditions on early Mars were likely anoxic, similar to early Earth, but the timing of the evolution to oxic conditions characteristic of contemporary Mars is unresolved. Ferrous trioctahedral smectites are the thermodynamically predicted products of anoxic basalt weathering, but orbital analyses of Noachian-aged terrains find primarily Fe3+-bearing clay minerals. Rover-based detection of Fe2+-bearing trioctahedral smectites at Gale Crater suggests that ferrous smectites are the unoxidized progenitors of orbitally detected ferric smectites. To assess this pathway, we conducted ambient-temperature oxidative alteration experiments on four synthetic ferrous smectites having molar Fe/(Mg + Fe) from 1.00 to 0.33. Smectite suspension in air-saturated solutions produced incomplete oxidation (24-38% Fe3+/ΣFe). Additional smectite oxidation occurred upon reexposure to air-saturated solutions after anoxic hydrothermal recrystallization, which accelerated cation and charge redistribution in the octahedral sheet. Oxidation was accompanied by contraction of the octahedral sheet (d(060) decreased from 1.53-1.56 Å to 1.52 Å), consistent with a shift toward dioctahedral structure. Ferrous smectite oxidation by aqueous hydrogen peroxide solutions resulted in nearly complete Fe2+ oxidation but also led to partial Fe3+ ejection from the structure, producing nanoparticulate hematite. Reflectance spectra of oxidized smectites were characterized by (Fe3+,Mg)2-OH bands at 2.28-2.30 μm, consistent with oxidative formation of dioctahedral nontronite. Accordingly, ferrous smectites are plausible precursors to observed ferric smectites on Mars, and their presence in late-Noachian sedimentary units suggests that anoxic conditions may have persisted on Mars beyond the Noachian.

Study on Colloid Vibration Current in Aqueous Solution of Binary Surfactant Mixtures: Effects of Counterions and Hydrophobic Chains.

PubMed

Takata, Youichi; Hyono, Atsushi; Ohshima, Hiroyuki

2016-11-01

In order to elucidate an electroacoustic phenomenon of mixed micelles in an aqueous solution, we measured the colloid vibration current (CVI) in aqueous solutions of binary surfactant mixtures. Based on the thermodynamic treatment of critical micelle concentration (cmc) values determined by conductivity measurements, it was expected that dodecyltrimethylammonium bromide (DTAB) and dodecyltrimethylammonium chloride (DTAC) molecules would mix ideally in the micelle. However, the micelle composition as evaluated from the CVI measurement, based on the linear dependence of the CVI value on the micelle composition, differed from the aforementioned ideality. Considering these observations, we concluded that the CVI measurement was more sensitive to the counterion distribution near the micelle surface, whereas the thermodynamically determined micelle composition included the counterions more loosely bound in the diffuse double layer due to the electroneutrality condition included in its assumption. On the other hand, the phase diagram illustrating micelle formation in the lithium dodecyl sulfate (LiDS) - lithium perfluorooctane sulfonate (LiFOS) mixture system showed a heteroazeotropic point arising from the stronger interactions between homologous surfactants than between heterologous ones. Although the concentration dependence of CVI values was expected to drastically change at a heteroazeotropic point due to the enormous variation in the density of the micelle core, the results showed a monotonous change, which suggests that the density of the micelle core varies continuously. By taking the partial molar volume of fluorocarbon compounds in the hydrocarbon compounds into account, the density of the micelle core was affected by the size of the micelle as well as its constituents.

Molar mass fractionation in aqueous two-phase polymer solutions of dextran and poly(ethylene glycol).

PubMed

Zhao, Ziliang; Li, Qi; Ji, Xiangling; Dimova, Rumiana; Lipowsky, Reinhard; Liu, Yonggang

2016-06-24

Dextran and poly(ethylene glycol) (PEG) in phase separated aqueous two-phase systems (ATPSs) of these two polymers, with a broad molar mass distribution for dextran and a narrow molar mass distribution for PEG, were separated and quantified by gel permeation chromatography (GPC). Tie lines constructed by GPC method are in excellent agreement with those established by the previously reported approach based on density measurements of the phases. The fractionation of dextran during phase separation of ATPS leads to the redistribution of dextran of different chain lengths between the two phases. The degree of fractionation for dextran decays exponentially as a function of chain length. The average separation parameters, for both dextran and PEG, show a crossover from mean field behavior to Ising model behavior, as the critical point is approached. Copyright © 2016 Elsevier B.V. All rights reserved.

Optimal moving grids for time-dependent partial differential equations

NASA Technical Reports Server (NTRS)

Wathen, A. J.

1989-01-01

Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of partial differential equation solutions in the least squares norm.

Method for extracting lanthanides and actinides from acid solutions by modification of Purex solvent

DOEpatents

Horwitz, E.P.; Kalina, D.G.

1984-05-21

A process has been developed for the extraction of multivalent lanthanide and actinide values from acidic waste solutions, and for the separation of these values from fission product and other values, which utilizes a new series of neutral bi-functional extractants, the alkyl(phenyl)-N, N-dialkylcarbamoylmethylphosphine oxides, in combination with a phase modifier to form an extraction solution. The addition of the extractant to the Purex process extractant, tri-n-butylphosphate in normal paraffin hydrocarbon diluent, will permit the extraction of multivalent lanthanide and actinide values from 0.1 to 12.0 molar acid solutions.

Antimicrobial Photodynamic Therapy as an Adjunct for Clinical Partial Removal of Deciduous Carious Tissue: A Minimally Invasive Approach.

PubMed

Ornellas, Pâmela O; Antunes, Leonardo S; Motta, Paula C; Mendonça, Caroline; Póvoa, Helvécio; Fontes, Karla; Iorio, Natalia; Antunes, Lívia A A

2018-06-20

This study aimed to evaluate the use of antimicrobial photodynamic therapy (aPDT) as an adjunct for minimally invasive treatment (partial removal of carious tissue - PRCT) of deciduous carious tissue evaluating its efficacy in reducing microorganisms. For that, a clinical study was design including children with deciduous molars with active deep caries lesions (DCL). PRCT was performed and remaining dentin was treated with 100 μg/mL methylene blue solution (5 min) and than irradiated with a low power laser emitting red light (InGaAIP - indium gallium aluminum phosphide; λ = 660nm; 100mW; 300 J/cm²; 90s; 9J). The colony forming units (CFU) count after PRCT and after PRCT + aPDT/mg of dentin were compared for total microorganisms, including Candida spp., the mutans streptococci group, Streptococcus spp. and Lactobacillus spp. The dentin was classified (color, consistency and humidity). The microbial reduction varied from 69.88% to 86.29% and was significantly observed for total microorganisms, mutans streptococci, Streptococcus spp. and Lactobacillus spp (p<0.001). The dentin type did not influence reduction of microorganisms (p>0.05). The aPDT presents a promising future for clinical use as an adjunct for the reduction of microorganisms in PRCT of DCL in all kinds of dentin. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

The Utilization of Sugars and Other Substances by Drosophila,

DTIC Science & Technology

1948-03-01

many compounds, including sugars, polysaccharides , polyhydric alcohols, aliphatic acids, etc. 2. In equivalent solutions, ’the order of usefulness of...span’between flies fed on disaccharides and their constituent monosaccharides . 4’. Doubtful sugars can usually be resolved into toxic, reprl- lent...The molaritie.s of the sugar solutions were varied so as to equate the monosaccharides and disaccharides. The longevity of flies fed on di- and

Regenerative Endodontic Treatment of an Immature Necrotic Molar with Arrested Root Development by Using Recombinant Human Platelet-derived Growth Factor: A Case Report.

PubMed

Zhujiang, Annie; Kim, Sahng G

2016-01-01

Regenerative endodontic treatment has provided a treatment option that aims to allow root maturation. The present report describes the regenerative endodontic treatment of a necrotic, immature molar by using recombinant human platelet-derived growth factor (rhPDGF-BB) and shows the continued root maturation in the tooth with arrested root development. A regenerative endodontic procedure that used a growth factor was performed for a necrotic molar with arrested root formation in a 20-year-old patient. Thorough disinfection by using mechanical instrumentation and copious irrigation of antimicrobial agents as well as intracanal medication with calcium hydroxide was performed throughout the first 2 appointments. At the third appointment, the root canals were irrigated with an antimicrobial solution and 17% EDTA, and bleeding was evoked by passing sterile paper points beyond the apex in each canal. Small pieces of a collagen membrane saturated with rhPDGF-BB solution from GEM 21S were packed into each canal. Mineral trioxide aggregate was placed, and Cavit and composite resin were used to restore the tooth. Complete root maturation and resolution of a periapical radiolucency were observed at the 15-month follow-up. The present report presents a regenerative endodontic procedure that uses rhPDGF-BB for a necrotic molar with arrested root development. The finding of continued root development in the present case suggests that regenerative endodontic treatment may be able to resume the root maturation process in teeth with arrested root formation. Further clinical studies are required to investigate the efficacy of rhPDGF-BB in regenerative endodontic treatment. Copyright © 2016 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Oxygen stoichiometry, phase stability, and thermodynamic behavior of the lead-doped and lead-free Bi-2212 systems

NASA Astrophysics Data System (ADS)

Tetenbaum, M.; Hash, M.; Tani, B. S.; Maroni, V. A.

1996-02-01

Electromotive-force (EMF) measurements of oxygen fugacities as a function of stoichiometry have been made on lead-doped and lead-free Bi 2- zPb zSr 2Ca 1Cu 2O x superconducting ceramics in the temperature range ≈ 700-815°C by means of an oxygen-titration techique that employs an yttria-stabilized zirconia electrolyte. Equations for the variation of oxygen partial pressure with composition and temperature have been derived from our EMF measurements. Thermodynamic assessments of the partial molar quantities Δ overlineH(O 2) and Δ overlineS(O 2) for lead-doped Bi-2212 and lead-free Bi-2212 indicate that the solid-state decomposition of these bismuth cuprates at low oxygen partial pressure can be represented by the diphasic CuOCu 2O system.

Some aspects of the thermodynamic behaviour of the lead-doped Bi-2223 system

NASA Astrophysics Data System (ADS)

Tetenbaum, M.; Maroni, V. A.

1996-02-01

A thermodynamic assessment of lead-doped Bi-2223 with emphasis on compositions and oxygen partial pressures within the homogeneity region prior to solid-state decomposition is presented. Equations for the variation of oxygen partial pressure with composition and temperature have been derived from our EMF measurements. Long-term metastability was indicated during cycling over a temperature range of ∼ 700-815°C of a lead-doped Bi-2223 sample having an oxygen-deficient stoichiometry of 9.64 prior to solid-state decomposition corresponding to the diphasic CuOCu 2O system. A trend of increasing negative values of the partial molar enthalpy Δ overlineH( O 2) and entropy Δ overlineS( O2 with increasing oxygen deficiency of the condensed phase indicated an increase in ordering of the cuprate structure prior to solid-state decomposition.

The convergence of the order sequence and the solution function sequence on fractional partial differential equation

NASA Astrophysics Data System (ADS)

Rusyaman, E.; Parmikanti, K.; Chaerani, D.; Asefan; Irianingsih, I.

2018-03-01

One of the application of fractional ordinary differential equation is related to the viscoelasticity, i.e., a correlation between the viscosity of fluids and the elasticity of solids. If the solution function develops into function with two or more variables, then its differential equation must be changed into fractional partial differential equation. As the preliminary study for two variables viscoelasticity problem, this paper discusses about convergence analysis of function sequence which is the solution of the homogenous fractional partial differential equation. The method used to solve the problem is Homotopy Analysis Method. The results show that if given two real number sequences (αn) and (βn) which converge to α and β respectively, then the solution function sequences of fractional partial differential equation with order (αn, βn) will also converge to the solution function of fractional partial differential equation with order (α, β).

Cutaneous Sinus Tract from Mandibular Second Molar with C-shaped Canal System and Improper Former Root Canal Treatment: A Case Report.

PubMed

Gharechahi, Maryam; Dastmalchi, Parisa

2016-01-01

Here, we report the diagnosis and treatment of an extraoral cutaneous sinus tract originating in a mandibular second molar with a C-shaped root canal system. The patient was referred to our department by a dermatologist after a series of unsuccessful treatments, including antibiotics. Diffuse radiolucency on a preoperative radiograph revealed that earlier root canal treatment had been only partially successful. Consequently, we performed retreatment of the root canal comprising removal of the former restoration and gutta-percha, cleaning and shaping, and passive irrigation with sodium hypochlorite. The patient responded well, and the cutaneous lesion completely resolved uneventfully within 1 month postoperatively. Preoperative recognition and thorough knowledge of the root canal anatomy and conventional methods of obturation are necessary in performing successful endodontic treatment.

Sulfidation treatment of copper-containing plating sludge towards copper resource recovery.

PubMed

Kuchar, D; Fukuta, T; Onyango, M S; Matsuda, H

2006-11-02

The present study is concerned with the sulfidation treatment of copper-containing plating sludge towards copper resource recovery by flotation of copper sulfide from treated sludge. The sulfidation treatment was carried out by contacting simulated or real copper plating sludge with Na(2)S solution for a period of 5 min to 24 h. The initial molar ratio of S(2-) to Cu(2+) (S(2-) to Me(2+) in the case of real sludge) was adjusted to 1.00, 1.25 or 1.50, while the solid to liquid ratio was set at 1:50. As a result, it was found that copper compounds were converted to various copper sulfides within the first 5 min. In the case of simulated copper sludge, CuS was identified as the main sulfidation product at the molar ratio of S(2-) to Cu(2+) of 1.00, while Cu(7)S(4) (Roxbyite) was mainly found at the molar ratios of S(2-) to Cu(2+) of 1.50 and 1.25. Based on the measurements of oxidation-reduction potential, the formation of either CuS or Cu(7)S(4) at different S(2-) to Cu(2+) molar ratios was attributed to the changes in the oxidation-reduction potential. By contrast, in the case of sulfidation treatment of real copper sludge, CuS was predominantly formed, irrespective of S(2-) to Me(2+) molar ratio.

The assessment of surface roughness and microleakage of eroded tooth-colored dental restorative materials

PubMed Central

Hussein, Thulfiqar Ali; Bakar, Wan Zaripah Wan; Ghani, Zuryati Ab; Mohamad, Dasmawati

2014-01-01

Objectives: To investigate the effect of acidic solution on surface roughness and microleakage of tooth-colored restorative materials. Materials and Methods: A 160 box-shaped cavities were prepared on the buccal surfaces of 160 human molars, and assigned to four groups: Group A restored with Ketac™ Molar Easymix, Group B with Fuji II™ LC, Group C with Ketac™ N100, and Group D with Filtek™ Z250, and subdivided into study and control groups (n = 20). Study groups were immersed in lemon juice (pH = 2.79) for 24 h, whilst controlgroups in deionized distilled water. All samples were immersed in 2% methylene blue dye, sectioned into two equal halves for surface roughness, and microleakage tests. Data were analyzed using Mann–Whitney and Kruskal–Wallis tests at P < 0.05. Results: There was a significant difference in surface roughness of Ketac™ Molar, Fuji II™ LC, and Ketac™ N100. No significant difference was found in microleakage of Ketac™ Molar and Fuji II™ LC; however, there were significant differences in the gingival margin of Ketac™ N100, and the occlusal margin of Filtek™ Z250. Conclusions: All glass ionomer cements were eroded after exposure to the acidic drink. Filtek™ Z250 and Ketac™ Molar Easymix showed more microleakage. All materials showed more microleakage at the gingival margins. PMID:25506139

Vaporization and thermodynamics of forsterite-rich olivine and some implications for silicate atmospheres of hot rocky exoplanets

NASA Astrophysics Data System (ADS)

Costa, Gustavo C. C.; Jacobson, Nathan S.; Fegley, Bruce, Jr.

2017-06-01

We describe an experimental and theoretical study of olivine [Mg2SiO4 (Fo)-Fe2SiO4 (Fa)] vaporization. The vaporization behavior and thermodynamic properties of a fosterite-rich olivine (Fo95Fa5) have been explored by high-temperature Knudsen effusion mass spectrometry (KEMS) from 1750 to 2250 K. The gases observed (in order of decreasing partial pressure) are Fe, SiO, Mg, O2 and O. We measured the solidus temperature (∼2050 K), partial pressures of individual gases, the total vapor pressure, and thermodynamic activities and partial molar enthalpies of MgO, 'FeO', and SiO2 for the Fo95Fa5 olivine. The results are compared to other measurements and models of the olivine system. Our experimental data show olivine vaporizes incongruently. We discuss this system both as a psuedo-binary of Fo-Fa and a psuedo-ternary of MgO-'FeO'-SiO2. Iron/magnesium molar ratios in the sample before (∼0.05) and after (∼0.04) vaporization are consistent with the small positive deviations from ideality of fayalite (γ ∼ 1.17) in olivine of the composition studied (e.g., Nafziger and Muan, 1967). Our data for olivine + melt confirm prior theoretical models predicting fractional vaporization of Fe relative to Mg from molten silicates (Fegley and Cameron, 1987; Schaefer and Fegley, 2009; Ito et al., 2015). If loss of silicate atmospheres occurs from hot rocky exoplanets with magma oceans the residual planet may be enriched in magnesium relative to iron.

Fully transparent, non-volatile bipolar resistive memory based on flexible copolyimide films

NASA Astrophysics Data System (ADS)

Yu, Hwan-Chul; Kim, Moon Young; Hong, Minki; Nam, Kiyong; Choi, Ju-Young; Lee, Kwang-Hun; Baeck, Kyoung Koo; Kim, Kyoung-Kook; Cho, Soohaeng; Chung, Chan-Moon

2017-01-01

Partially aliphatic homopolyimides and copolyimides were prepared from rel-(1'R,3S,5'S)-spiro[furan-3(2H),6'-[3]oxabicyclo[3.2.1]octane]-2,2',4',5(4H)-tetrone (DAn), 2,6-diaminoanthracene (AnDA), and 4,4'-oxydianiline (ODA) by varying the molar ratio of AnDA and ODA. We utilized these polyimide films as the resistive switching layer in transparent memory devices. While WORM memory behavior was obtained with the PI-A100-O0-based device (molar feed ratio of DAn : AnDA : ODA = 1 : 1 : 0), the PI-A70-O30-based device (molar feed ratio of DAn : AnDA : ODA = 1 : 0.7 : 0.3) exhibited bipolar resistive switching behavior with stable retention for 104 s. This result implies that the memory properties can be controlled by changing the polyimide composition. The two devices prepared from PI-A100-O0 and PI-A70-O30 showed over 90% transmittance in the visible wavelength range from 400 to 800 nm. The behavior of the memory devices is considered to be governed by trap-controlled, space-charge limited conduction (SCLC) and local filament formation. [Figure not available: see fulltext.

Effect of Sodium Hydroxide Molarity on Physical, Mechanical and Thermal Conductivity of Metakaolin Geopolymers

NASA Astrophysics Data System (ADS)

Ain Jaya, Nur; Yun-Ming, Liew; Bakri Abdullah, Mohd Mustafa Al; Cheng-Yong, Heah; Hussin, Kamarudin

2018-03-01

In the present work, the effect of different sodium hydroxide (NaOH) molarity (6M, 8M, 10M, 12M and 14M) on the physical, mechanical and thermal conductivity of metakaolin geopolymers (MkGPs) was investigated. Geopolymers were prepared by activating the metakaolin with a mixture of NaOH with sodium silicate (Na2SiO3). The products obtained were characterized after 28 days of curing. The density, porosity, compressive strength and thermal conductivity (TC) were determined. In general, the NaOH molarity has a significant effect on the compressive strength of the MkGPs. The highest compressive strength was 14.6 MPa achieved with 10M of NaOH solution. The thermal conductivity of MkGPs measured in this work was low in the range between 0.71-0.97 W/mK. NaOH molarity had a significant effect on compressive strength but a marginal effect on thermal conductivity of MkGPs. The thermal conductivity was mainly affected by the bulk density and thus the total porosity. The results showed that the geopolymer can be considered to be used as the thermal insulating material.

Determination of Activities of Niobium in Cu-Nb Melts Containing Dilute Nb

NASA Astrophysics Data System (ADS)

Wang, Daya; Yan, Baijun; Sichen, Du

2015-04-01

The activity coefficients of niobium in Cu-Nb melts were measured by equilibrating solid NbO2 with liquid copper under controlled oxygen potentials in the temperature range of 1773 K to 1898 K (1500 °C to 1625 °C). Either CO-CO2 gas mixture or H2-CO2 gas mixture was employed to obtain the desired oxygen partial pressures. Cu-Nb system was found to follow Henry's law in the composition range studied. The temperature dependence of Henry's constant in the Cu-Nb melts could be expressed as follows: The partial molar excess Gibbs energy change of niobium in Cu-Nb melts can be expressed as follows:

Modeling the effects of pH and ionic strength on swelling of anionic polyelectrolyte gels

NASA Astrophysics Data System (ADS)

Drozdov, A. D.; deClaville Christiansen, J.

2015-07-01

A constitutive model is developed for the elastic response of an anionic polyelectrolyte gel under swelling in water with an arbitrary pH and an arbitrary molar fraction of dissolved monovalent salt. A gel is treated as a three-phase medium consisting of a solid phase (polymer network), solvent (water), and solute (mobile ions). Transport of solvent and solute is thought of as their diffusion through the polymer network accelerated by an electric field formed by mobile and fixed ions and accompanied by chemical reactions (dissociation of functional groups attached to polymer chains and formation of ion pairs between bound charges and mobile counter-ions). Constitutive equations are derived by means of the free energy imbalance inequality for an arbitrary three-dimensional deformation with finite strains. These relations are applied to analyze equilibrium swelling diagrams on poly(acrylic acid) gel, poly(methacrylic acid) gel, and three composite hydrogels under water uptake in a bath (i) with a fixed molar fraction of salt and varied pH, and (ii) with a fixed pH and varied molar fraction of salt. To validate the ability of the model to predict observations quantitatively, material constants are found by matching swelling curves under one type of experimental conditions and results of simulation are compared with experimental data in the other type of tests.

THE MOVEMENT OF WATER IN TISSUES REMOVED FROM THE BODY AND ITS RELATION TO MOVEMENT OF WATER DURING LIFE

PubMed Central

Opie, Eugene L.

1949-01-01

During the initial period following immersion of parenchymatous cells of liver, kidney, or pancreas in various fluids immediately after their removal from the body water exchange is like that which occurs when water passes by osmosis through a semipermeable membrane; intake of water is proportional to the square root of the elapsed time and when liver tissue is immersed in solutions of sodium chloride movement of water is approximately proportional to the concentration of the solution. Solutions of sodium chloride isotonic for parenchymatous cells of liver have twice the molar concentration of sodium chloride in the blood serum; for those of the kidney slightly less than twice and for those of the pancreas three times this concentration. When interstitial tissue of thymus, omentum, or pancreas is immersed in water, it undergoes edema-like swelling caused by hydration of the colloids of the fibrous tissue; quantitative water exchange in an initial period accords with water movement by osmosis and is proportional to the square root of the elapsed time. Solutions of sodium chloride isotonic for fibrous tissue of the omentum have slightly greater molar concentration than the sodium chloride in the blood serum and for that of the thymus approximately the same as that of blood serum. Sodium chloride produces changes in fibrous tissue which increase with increasing concentration its power to hold water; the dense fibrous tissue of the corium of the skin and of the wall of the aorta takes up water in both weak an strong solutions of sodium chloride. The initial movement of water induced in tissues in the period immediately following removal from the body is dependent upon forces which are active during life but soon impaired by injury to the tissues. The molar concentration of the contents of secreting cells is greater than that of the blood serum and of the fluid surrounding them. These conditions are favorable to the passage of water from the tissue spaces to the cells. PMID:18107971

Electrochemical Induced Calcium Phosphate Precipitation: Importance of Local pH

PubMed Central

2017-01-01

Phosphorus (P) is an essential nutrient for living organisms and cannot be replaced or substituted. In this paper, we present a simple yet efficient membrane free electrochemical system for P removal and recovery as calcium phosphate (CaP). This method relies on in situ formation of hydroxide ions by electro mediated water reduction at a titanium cathode surface. The in situ raised pH at the cathode provides a local environment where CaP will become highly supersaturated. Therefore, homogeneous and heterogeneous nucleation of CaP occurs near and at the cathode surface. Because of the local high pH, the P removal behavior is not sensitive to bulk solution pH and therefore, efficient P removal was observed in three studied bulk solutions with pH of 4.0 (56.1%), 8.2 (57.4%), and 10.0 (48.4%) after 24 h of reaction time. While P removal efficiencies are not generally affected by bulk solution pH, the chemical-physical properties of CaP solids collected on the cathode are still related to bulk solution pH, as confirmed by structure characterizations. High initial solution pH promotes the formation of more crystalline products with relatively high Ca/P molar ratio. The Ca/P molar ratio increases from 1.30 (pH 4.0) to 1.38 (pH 8.2) and further increases to 1.55 (pH 10.0). The formation of CaP precipitates was a typical crystallization process, with an amorphous phase formed at the initial stage which then transforms to the most stable crystal phase, hydroxyapatite, which is inferred from the increased Ca/P molar ratio from 1.38 (day 1) to the theoretical 1.76 (day 11) and by the formation of needle-like crystals. Finally, we demonstrated the efficiency of this system for real wastewater. This, together with the fact that the electrochemical method can work at low bulk pH, without dosing chemicals and a need for a separation process, highlights the potential application of the electrochemical method for P removal and recovery. PMID:28872838

Solid solution barium–strontium chlorides with tunable ammonia desorption properties and superior storage capacity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bialy, Agata; Jensen, Peter B.; Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark, Fysikvej 311, DK-2800 Kgs. Lyngby

Metal halide ammines are very attractive materials for ammonia absorption and storage—applications where the practically accessible or usable gravimetric and volumetric storage densities are of critical importance. Here we present, that by combining advanced computational materials prediction with spray drying and in situ thermogravimetric and structural characterization, we synthesize a range of new, stable barium-strontium chloride solid solutions with superior ammonia storage densities. By tuning the barium/strontium ratio, different crystallographic phases and compositions can be obtained with different ammonia ab- and desorption properties. In particular it is shown, that in the molar range of 35–50% barium and 65–50% strontium, stablemore » materials can be produced with a practically usable ammonia density (both volumetric and gravimetric) that is higher than any of the pure metal halides, and with a practically accessible volumetric ammonia densities in excess of 99% of liquid ammonia. - Graphical abstract: Thermal desorption curves of ammonia from Ba{sub x}Sr{sub (1−x)}Cl{sub 2} mixtures with x equal to 0.125, 0.25 and 0.5 and atomic structure of Sr(NH{sub 3}){sub 8}Cl{sub 2}. - Highlights: • Solid solutions of strontium and barium chloride were synthesized by spray drying. • Adjusting molar ratios led to different crystallographic phases and compositions. • Different molar ratios led to different ammonia ab-/desorption properties. • 35–50 mol% BaCl{sub 2} in SrCl{sub 2} yields higher ammonia density than any other metal halide. • DFT calculations can be used to predict properties of the mixtures.« less

Infiltration of Nanoparticles into Porous Binder Jet Printed Parts

DOE PAGES

Elliott, Amelia; AlSalihi, Sarah; Merriman, Abbey L.; ...

2016-01-01

The densification of parts that are produced by binder jetting Additive Manufacturing (AM; a.k.a. “3D Printing”) is an essential step in making them mechanically useful. By increasing the packing factor of the powder bed by incorporating nanoparticles into the binder has potential to alleviate the amount of shrinkage needed for full densification of binder jet parts. We present preliminary data on the use of 316L Stainless Steel Nanoparticles (SSN) to densify 316L stainless steel binder jet parts. Aqueous solutions of Diethylene Glycol (DEG) or Ethylene Glycol (EG) were prepared at different DEG/water and EG/water molar ratios; pH of the solutionsmore » was adjusted by the use of 0.10 M sodium hydroxide. Nanoparticles were suspended in a resulted solution at a volume percentage of SSN/solution at 0.5%. The suspension was then sonicated for thirty minutes. One milliliter of the suspension was added stepwise to a sintered, printed disk with the dimensions: (d = 10 mm, h = 3 mm) in the presence of a small magnet. The 3D part was then sintered again. Moreover, the increase in the mass of the 3D part was used as indication of the amount of nanoparticles that diffused in the 3D part. This mass percent increase was studied as a function of pH of the suspension and as function DEG/water molar ratio. Unlike EG, data show that change in pH affects the mass percent when the suspension was made with DEG. Finally, optical analysis of the discs’ cross sections revealed trends metallic densities similar to trends in the data for mass increase with changing pH and water molar ratio.« less

Infiltration of Nanoparticles into Porous Binder Jet Printed Parts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elliott, Amelia; AlSalihi, Sarah; Merriman, Abbey L.

The densification of parts that are produced by binder jetting Additive Manufacturing (AM; a.k.a. “3D Printing”) is an essential step in making them mechanically useful. By increasing the packing factor of the powder bed by incorporating nanoparticles into the binder has potential to alleviate the amount of shrinkage needed for full densification of binder jet parts. We present preliminary data on the use of 316L Stainless Steel Nanoparticles (SSN) to densify 316L stainless steel binder jet parts. Aqueous solutions of Diethylene Glycol (DEG) or Ethylene Glycol (EG) were prepared at different DEG/water and EG/water molar ratios; pH of the solutionsmore » was adjusted by the use of 0.10 M sodium hydroxide. Nanoparticles were suspended in a resulted solution at a volume percentage of SSN/solution at 0.5%. The suspension was then sonicated for thirty minutes. One milliliter of the suspension was added stepwise to a sintered, printed disk with the dimensions: (d = 10 mm, h = 3 mm) in the presence of a small magnet. The 3D part was then sintered again. Moreover, the increase in the mass of the 3D part was used as indication of the amount of nanoparticles that diffused in the 3D part. This mass percent increase was studied as a function of pH of the suspension and as function DEG/water molar ratio. Unlike EG, data show that change in pH affects the mass percent when the suspension was made with DEG. Finally, optical analysis of the discs’ cross sections revealed trends metallic densities similar to trends in the data for mass increase with changing pH and water molar ratio.« less

Chemical and spectral behavior of nitric acid in aqueous sulfuric acid solutions: Absorption spectrum and molar absorption coefficient of nitronium ion

NASA Astrophysics Data System (ADS)

Ershov, Boris G.; Panich, Nadezhda M.

2018-01-01

The chemical species formed from nitric acid in aqueous solutions of sulfuric acid (up to 18.0 mol L- 1) were studied by optical spectroscopy method. The concentration region of nitronium ion formation was identified and NO2+ ion absorption spectrum was measured (λmax ≤ 190 nm and ε190 = 1040 ± 50 mol- 1 L cm- 1).

Spatial complexity of solutions of higher order partial differential equations

NASA Astrophysics Data System (ADS)

Kukavica, Igor

2004-03-01

We address spatial oscillation properties of solutions of higher order parabolic partial differential equations. In the case of the Kuramoto-Sivashinsky equation ut + uxxxx + uxx + u ux = 0, we prove that for solutions u on the global attractor, the quantity card {x epsi [0, L]:u(x, t) = lgr}, where L > 0 is the spatial period, can be bounded by a polynomial function of L for all \\lambda\\in{\\Bbb R} . A similar property is proven for a general higher order partial differential equation u_t+(-1)^{s}\\partial_x^{2s}u+ \\sum_{k=0}^{2s-1}v_k(x,t)\\partial_x^k u =0 .

Graphene oxide based CdSe photocatalysts: Synthesis, characterization and comparative photocatalytic efficiency of rhodamine B and industrial dye

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Trisha; Lee, Jeong-Ho; Meng, Ze-Da

Highlights: ► CdSe–graphene is synthesized by hydrothermal method. ► Three molar solutions of CdSe were used making three different composites. ► RhB and Texbrite MST-L were used as sample dye solutions. ► Texbrite MST-L is photo degraded in visible light. ► UV-spectroscopic analysis was done to measure degradation. - Abstract: CdSe–graphene composites were prepared using simple “hydrothermal method” where the graphene surface was modified using different molar solutions of cadmium selenide (CdSe) in aqueous media. The characterization of CdSe–graphene composites were studied by X-ray diffraction (XRD), energy dispersive X-ray (EDX), scanning electron microscope (SEM), and with transmission electron microscope (TEM).more » The catalytic activities of CdSe-composites were evaluated by degradation of rhodamine B (RhB) and commercial industrial dye “Texbrite MST-L (TXT-MST)” with fixed concentration. The degradation was observed by the decrease in the absorbance peak studied by UV spectrophotometer. The decrease in the dye concentration indicated catalytic degradation effect by CdSe–graphene composites.« less

Articaine (4%) with epinephrine (1:100,000 or 1:200,000) in intraosseous injections in symptomatic irreversible pulpitis of mandibular molars: anesthetic efficacy and cardiovascular effects.

PubMed

Pereira, Leandro Augusto Pinto; Groppo, Francisco Carlos; Bergamaschi, Cristiane de Cássia; Meechan, John Gerard; Ramacciato, Juliana Cama; Motta, Rogério Heládio Lopes; Ranali, José

2013-08-01

The aim of this study was to compare the cardiovascular effects and the anesthetic efficacy of intraosseous injections of 4% articaine with 1:100,000 epinephrine (EPI100) or 4% articaine with 1:200,000 epinephrine (EPI200). In this prospective, randomized, double-blind study, 0.9 mL EPI100 and EPI200 solutions were administered for endodontic treatment of mandibular molars with symptomatic irreversible pulpitis in 60 patients. The anesthetic success and pain during anesthesia were evaluated by visual analog scale. The cardiovascular parameters evaluated were heart rate, diastolic/systolic blood pressure, pulse oximetry, and electrocardiogram changes. Both solutions provided high anesthetic efficacy (96.8% and 93.1% for EPI100 and EPI200, respectively; P > .05), and the cardiovascular parameters showed minimal incidences of significant differences throughout the clinical procedure. The epinephrine concentration did not affect the efficacy of 4% articaine, and both solutions produced a high success level of pulpal anesthesia. Intraosseous delivery by slow speed of injection did not induce significant clinical changes in cardiovascular parameters. Copyright © 2013 Elsevier Inc. All rights reserved.

Characterizing the hydration state of L-threonine in solution using terahertz time-domain attenuated total reflection spectroscopy

NASA Astrophysics Data System (ADS)

Huang, Huachuan; Liu, Qiao; Zhu, Liguo; Li, Zeren

2018-01-01

The hydration of biomolecules is closely related to the dynamic process of their functional expression, therefore, characterizing hydration phenomena is a subject of keen interest. However, direct measurements on the global hydration state of biomolecules couldn't have been acquired using traditional techniques such as thermodynamics, ultrasound, microwave spectroscopy or viscosity, etc. In order to realize global hydration characterization of amino acid such as L-threonine, terahertz time-domain attenuated total reflectance spectroscopy (THz-TDS-ATR) was adopted in this paper. By measuring the complex permittivity of L-threonine solutions with various concentrations in the THz region, the hydration state and its concentration dependence were obtained, indicating that the number of hydrous water decreased with the increase of concentration. The hydration number was evaluated to be 17.8 when the molar concentration of L-threonine was 0.34 mol/L, and dropped to 13.2 when the molar concentration increased to 0.84 mol/L, when global hydration was taken into account. According to the proposed direct measurements, it is believed that the THz-TDS-ATR technique is a powerful tool for studying the picosecond molecular dynamics of amino acid solutions.

Unusual properties of aqueous solutions of L-proline: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Civera, Monica; Sironi, Maurizio; Fornili, Sandro L.

2005-11-01

Aqueous solutions of the bioprotectant proline are simulated for solute molar fractions ranging from 2.0 × 10 -3 to 2.3 × 10 -1. Statistical analyses show that proline affects the water structure more strongly than glycine betaine and trimethylamine- N-oxide, two of the most effective bioprotectants widely diffuse in nature, and as strongly as tert-butyl alcohol, a protein denaturant which at high concentration self-aggregates. No evidence is found, however, that proline self-aggregates as it has been previously suggested to explain experimental findings on concentrated proline solutions. Nevertheless, the behavior of the diffusion coefficients of proline and water vs. solute concentration qualitatively agrees with such results.

AN OSMOTIC SYSTEM WITHIN THE CYTOPLASM OF CELLS

PubMed Central

Opie, Eugene L.

1948-01-01

The cytoplasm of cells of the liver and of the kidney is in large part occupied by bodies which respond to the water content of these cells and are modified by dissolved substances in the surrounding fluid or by physical change such as freezing. These bodies, in part mitochondria but designated more broadly cytochondria, constitute an osmotic system within the cytoplasm of cells. When the specific gravity of liver or kidney tissue is used as an index of changes in the water content of tissue, swelling of cytochondria in general follows the intake of water but this relation may be modified by a variety of conditions. When liver that has been frozen and thawed is immersed in water, cytochondria become swollen though the containing cells diminish in size. Solutions of sodium and of potassium chloride isotonic with blood plasma cause delayed swelling of cells and cytochondria, greater with the potassium salt; solutions of calcium chloride of equal molar concentration cause immediate swelling of cells and cytochondria. The basophile material of the cytoplasm (ribonucleic acid and related substances) and the material that gives to mitochondria their characteristic stain are removed by immersion in water but their disappearance is retarded by isotonic solutions of sodium or of potassium chloride and further delayed by hypertonic solutions. When the intensity of staining reactions is diminished by the partial loss of basophile substance or of the distinctive mitochondrial material, these are found at the surfaces of the cytoplasmic bodies, held perhaps by adsorption. When water, isotonic solutions of sodium chloride, or Ringer's solution comes into contact with immersed liver, they remove basophile and mitochondrial material from a superficial zone and substances with similar staining reactions appear in the cytoplasm of cells at a deeper level. Osmotic changes in the cytoplasmic bodies may be reversible. When liver tissue which has been for a short time immersed in water is transferred to a solution that is approximately isotonic in relation to blood plasma, swollen cytochondria return in part or completely to their former size; but with continued immersion in water, this reversibility becomes increasingly less complete. PMID:18912893

RECOVERY OF PROTACTINIUM

DOEpatents

Kraus, K.A.; Moore, G.E.

1959-02-01

A process is presented for the separation of protactinium values from an aqueous solution containing Pa and Th values comprising establishing in the solution a HCl concentration of from 4 to 11 molar, contacting the resulting solution with an anion-exchange adsorbent, such as a polystyrene divinyl benzene polymer with quatenary amines as the active exchange group, to effect the adsorption of Pa values upon the adsorbent while leaving Th values in the solution, and then washlng the separated Pa bearing adsorbent with an aqueous solution of HCl of less than 4M to exclusively elute Pa values from the adsorbent. If hexavalent U values are contained in the original solution thcy are adsorbed on the resin together with Pa. A separation is offected chromatographically by percolating the resin with aqueous HCl.

Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

NASA Astrophysics Data System (ADS)

Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

2018-05-01

Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

CONCENTRATION OF Pu USING AN IODATE PRECIPITATE

DOEpatents

Fries, B.A.

1960-02-23

A method is given for separating plutonium from lanthanum in a lanthanum fluoride carrier precipitation process for the recovery of plutonium values from an aqueous solution. The carrier precipitation process includes the steps of forming a lanthanum fluoride precipi- . tate, thereby carrying plutonium out of solution, metathesizing the fluoride precipitate to a hydroxide precipitate, and then dissolving the hydroxide precipitate in nitric acid. In accordance with the invention, the nitric acid solution, which contains plutonium and lanthanum, is made 0.05 to 0.15 molar in potassium iodate. thereby precipitating plutonium as plutonous iodate and the plutonous iodate is separated from the lanthanum- containing supernatant solution.

Transient Dupuit Interface Flow with partially penetrating features

NASA Astrophysics Data System (ADS)

Bakker, Mark

1998-11-01

A comprehensive potential is presented for Dupuit interface flow in coastal aquifers where both the fresh water and salt water are moving. The resulting potential flow problem may be solved, for incompressible confined aquifers, using analytic functions. The vertical velocity of the interface may then be computed analytically and the change of the position of the interface may be simulated by numerical integration through time, starting with a known (or estimated) initial position. The upconing of the interface below a partially penetrating ditch or well may be studied if Dupuit solutions for such features are available. A new Dupuit solution is derived for a ditch that penetrates the aquifer partially from above; a Dupuit solution for a partially penetrating well may be obtained following a similar derivation. The new Dupuit solution is combined with the interface solution to simulate the upconing of an initially horizontal interface below a series of partially penetrating ditches; the interface converges to the known steady state position.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carreras, Alejo C., E-mail: acarreras@famaf.unc.edu.ar; Cangiano, María de los A.; Ojeda, Manuel W.

The influence of the amount of complexing agent added to the starting solution on the physicochemical properties of Cu–Ni nanostructured alloys obtained through a chemical route, was studied. For this purpose, three Cu–Ni nanoalloy samples were synthesized by a previously developed procedure, starting from solutions with citric acid to metal molar ratios (C/Me) of 0.73, 1.00 and 1.50. The synthesis technique consisted in preparing a precursor via the citrate-gel method, and carrying out subsequent thermal treatments in controlled atmospheres. Sample characterization was performed by scanning electron microscopy, X-ray microanalysis, X-ray diffraction, transmission electron microscopy, X-ray nanoanalysis and electron diffraction. Inmore » the three cases, copper and nickel formed a solid solution with a Cu/Ni atomic ratio close to 50/50, and free of impurities inside the crystal structure. The citric acid content of the starting solution proved to have an important influence on the morphology, size distribution, porosity, and crystallinity of the Cu–Ni alloy microparticles obtained, but a lesser influence on their chemical composition. The molar ratio C/Me = 1.00 resulted in the alloy with the Cu/Ni atomic ratio closest to 50/50. - Highlights: • We synthesize Cu–Ni nanoalloys by a chemical route based on the citrate-gel method. • We study the influence of the complexing agent content of the starting solution. • We characterize the samples by electron microscopy and X-ray techniques. • Citric acid influences the shape, size, porosity and crystallinity of the alloys.« less

Transdermal penetration of vasoconstrictors--present understanding and assessment of the human epidermal flux and retention of free bases and ion-pairs.

PubMed

Cross, Sheree E; Thompson, Melanie J; Roberts, Michael S

2003-02-01

As reductions in dermal clearance increase the residence time of solutes in the skin and underlying tissues we compared the topical penetration of potentially useful vasoconstrictors (VCs) through human epidermis as both free bases and ion-pairs with salicylic acid (SA). We determined the in vitro epidermal flux of ephedrine, naphazoline, oxymetazoline, phenylephrine, and xylometazoline applied as saturated solutions in propylene glycol:water (1:1) and of ephedrine, naphazoline and tetrahydrozoline as 10% solutions of 1:1 molar ratio ion-pairs with SA in liquid paraffin. As free bases, ephedrine had the highest maximal flux, Jmax = 77.4 +/- 11.7 microg/cm2/h, being 4-fold higher than tetrahydrozoline and xylometazoline, 6-fold higher than phenylephrine, 10-fold higher than naphazoline and 100-fold higher than oxymetazoline. Stepwise regression of solute physicochemical properties identified melting point as the most significant predictor of flux. As ion-pairs with SA, ephedrine and naphazoline had similar fluxes (11.5 +/- 2.3 and 12.0 +/- 1.6 microg/cm2/h respectively), whereas tetrahydrozoline was approximately 3-fold slower. Corresponding fluxes of SA from the ion-pairs were 18.6 +/- 0.6, 7.8+/- 0.8 and 1.1 +/- 0.1 respectively. Transdermal transport of VC's is discussed. Epidermal retention of VCs and SA did not correspond to their molar ratio on application and confirmed that following partitioning into the stratum corneum, ion-pairs separate and further penetration is governed by individual solute characteristics.

Concatenons as the solutions for non-linear partial differential equations

NASA Astrophysics Data System (ADS)

Kudryashov, N. A.; Volkov, A. K.

2017-07-01

New class of solutions for nonlinear partial differential equations is introduced. We call them the concaten solutions. As an example we consider equations for the description of wave processes in the Fermi-Pasta-Ulam mass chain and construct the concatenon solutions for these equation. Stability of the concatenon-type solutions is investigated numerically. Interaction between the concatenon and solitons is discussed.

The efficacy of supplemental intraosseous anesthesia after insufficient mandibular block.

PubMed

Prohić, Samir; Sulejmanagić, Halid; Secić, Sadeta

2005-02-01

It is a well-known scientific fact that only a small percentage of infiltration of inferior alveolar nerve is clinically proven to be efficient. The objective of this study was to determine the anesthetic efficacy of supplemental intraosseous injection, used after the insufficient classical mandibular block that didn't provide deep pulp anesthesia of mandibular molar planed for extraction. The experimental teeth consisted of 98 mandibular molars with clinical indication for extraction. Based on the history of disease, we indicated the extraction of the tooth. After that each tooth was tested with a electric pulp tester P1. We tested the pulp vitality and precisely determined the level of vitality. After that, each patient received classical mandibular block, and the pulp vitality was tested again. If the pulp tester indicated negative vitality for the certain mandibular molar, and the patient didn't complain about pain or discomfort during the extraction, the molar was extracted and the result was added to anesthetic success rate for the classical mandibular block. If, five minutes after receiving the mandibular block, the pulp tester indicated positive vitality (parameters of vitality) or the patient complained about pain or discomfort (parameters of pain and discomfort), we used the Stabident intraosseous anesthesia system. Three minutes after the application of supplemental intraosseous injection the molar was tested with the pulp tester again. The anesthetic solution used in both anesthetic techniques is lidocaine with 1:100.000 epinephrine. The results of this study indicate that the anesthetic efficacy of the mandibular block is 74.5%, and that supplemental intraosseous anesthesia, applied after the insufficient mandibular block, provides pulpal anesthesia in 94.9% of mandibular molars. The difference between anesthetic efficacy of the classical mandibular block and anesthetic efficacy of the supplemental intraosseous anesthesia, applied after the insufficient mandibular block, is obvious.

Characterization of polymeric substance classes in cereal-based beverages using asymmetrical flow field-flow fractionation with a multi-detection system.

PubMed

Krebs, Georg; Becker, Thomas; Gastl, Martina

2017-09-01

Cereal-based beverages contain a complex mixture of various polymeric macromolecules including polysaccharides, peptides, and polyphenols. The molar mass of polymers and their degradation products affect different technological and especially sensory parameters of beverages. Asymmetrical flow field-flow fractionation (AF4) coupled with multi-angle light scattering (MALS) and refractive index detection (dRI) or UV detection (UV) is a technique for structure and molar mass distribution analysis of macromolecules commonly used for pure compound solutions. The objective of this study was to develop a systematic approach for identifying the polymer classes in an AF4//MALS/dRI/UV fractogram of the complex matrix in beer, a yeast-fermented cereal-based beverage. Assignment of fractogram fractions to polymer substance classes was achieved by targeted precipitations, enzymatic hydrolysis, and alignments with purified polymer standards. Corresponding effects on dRI and UV signals were evaluated according to the detector's sensitivities. Using these techniques, the AF4 fractogram of beer was classified into different fractions: (1) the low molar mass fraction was assigned to proteinaceous molecules with different degrees of glycosylation, (2) the middle molar mass fraction was attributed to protein-polyphenol complexes with a coelution of non-starch polysaccharides, and (3) the high molar mass fraction was identified as a mixture of the cell wall polysaccharides (i.e., β-glucan and arabinoxylan) with a low content of polysaccharide-protein association. In addition, dextrins derived from incomplete starch hydrolysis were identified in all fractions and over the complete molar mass range. The ability to assess the components of an AF4 fractogram is beneficial for the targeted design and evaluation of polymers in fermented cereal-based beverages and for controlling and monitoring quality parameters.

Copper Oxide Thin Films through Solution Based Methods for Electrical Energy Conversion and Storage

NASA Astrophysics Data System (ADS)

Zhu, Changqiong

Copper oxides (Cu2O and CuO), composed of non-toxic and earth abundant elements, are promising materials for electrical energy generation and storage devices. Solution based techniques for creating thin films of these materials, such as electrodeposition, are important to understand and develop because of their potential for realizing substantial energy savings compared to traditional fabrication methods. Cuprous oxide (Cu2O), with its direct band gap, is a p-type semiconductor that is well suited for creating solution-processed photovoltaic devices (solar cells); several key advancements made toward this application are the primary focus of this thesis. Electrodeposition of single-phase, crystalline Cu2O thin films is demonstrated using previously unexplored, acidic lactate/Cu2+ solutions, which has provided additional understanding of the impacts of growth solution chemistry on film formation. The influence of pH on the resulting Cu2O thin film properties is revealed by using the same ligand (sodium lactate) at various solution pH values. Cu2O films grown from acidic lactate solutions can exhibit a distinctive flowerlike, dendritic morphology, in contrast to the faceted, dense films obtained using alkaline lactate solutions. Relative speciation distributions of the various metal complex ions present under different growth conditions are calculated using reported equilibrium association constants and experimentally supported by UV-Visible absorption spectroscopy. Dependence of thin film morphology on the lactate/Cu2+ molar ratio and applied potential is described. Cu2O/eutectic gallium-indium Schottky junction devices are formed and devices are tested under monochromatic green LED illumination. Further surface examination of the Cu2O films using X-ray photoelectron spectroscopy (XPS) reveals the fact that films grown from acidic lactate solution with a small lactate/Cu2+ molar ratio, which exhibit improved photovoltaic performance compared to films grown from basic lactate solution with a large lactate/Cu2+ molar ratio, are sodium-free. This finding stands in contrast to the observation that films grown in basic solution contain a significant amount of sodium impurity at their top surfaces. Therefore, it is concluded that the sodium impurities present in films grown from basic lactate solutions are detrimental to overall photovoltaic device performance by introducing interface traps and recombination centers for charge carriers, which suggests that removing these impurities may be a promising strategy for improving Cu2O based solar cells. It has been found that impurities at the surface of electrodeposited p-Cu2O films can be efficiently removed through the use of concentrated aqueous ammonia solution as a wet etching agent. The performance of Cu 2O homojunction photovoltaic devices incorporating etched p-Cu 2O as the bottom layer is higher compared to devices with as-deposited p-Cu2O layers due to an improvement of the homojunction interface quality. Reducing the density of defect states that act as carrier recombination centers is found to lead to larger open circuit voltages. Zinc-doped cuprous oxide (Zn:Cu2O) thin films have also been prepared via single step electrodeposition from an aqueous solution containing sodium perchlorate. The Zn/Cu molar ratio in the Cu2O films can be tuned by adjusting the magnitude of the applied potential and the sodium perchlorate concentration. Electrical characterization reveals that zinc dopants increase the Fermi level in Zn:Cu2O films, enabling a three-fold improvement in the power conversion efficiency of a fully electrodeposited Cu2O homojunction photovoltaic device. Complementary to the development of Cu2O based photovoltaic devices, the use of solution deposited cupric oxide (CuO) thin films for capacitive energy storage has also been investigated. A seed layer-assisted chemical bath deposition (SCBD) method has been developed to create high quality CuO thin films on transparent conductive electrode (ITO)/glass substrates. A CuO seed layer is formed by the electrodeposition of Cu2O on ITO electrode for 10 s, followed by a brief (15 min) heating step to convert the Cu 2O to CuO. The seed layer is found to be essential for the growth of micrometer-thick, adherent CuO thin films on ITO-coated glass, as no films were observed to form on substrates without a seed layer. The addition of sodium lactate to the SCBD solution can be used to tune the morphology and relative crystallinity of the CuO films. A highly crystalline CuO film has been deposited from a solution without sodium lactate, while a largely amorphous CuO film was realized using lactate/Cu2+ molar ratio equal to 1.0. The CuO film with greater amorphous character exhibited a significantly larger specific capacitance as a redox active electrode compared to the crystalline film (2700 mF/g vs. 96 mF/g).

Method of recovering hazardous waste from phenolic resin filters

DOEpatents

Meikrantz, David H.; Bourne, Gary L.; McFee, John N.; Burdge, Bradley G.; McConnell, Jr., John W.

1991-01-01

The invention is a process for the recovery of hazardous wastes such as heavy metals and radioactive elements from phenolic resin filter by a circulating a solution of 8 to 16 molar nitric acid at a temperature of 110 to 190 degrees F. through the filter. The hot solution dissolves the filter material and releases the hazardous material so that it can be recovered or treated for long term storage in an environmentally safe manner.

Computer-assisted intraosseous anaesthesia for molar and incisor hypomineralisation teeth. A preliminary study.

PubMed

Cabasse, C; Marie-Cousin, A; Huet, A; Sixou, J L

2015-03-01

Anesthetizing MIH (Molar and Incisor Hypomineralisation) teeth is one of the major challenges in paediatric dentistry. Computer-assisted IO injection (CAIO) of 4% articaine with 1:200,000 epinephrine (Alphacaine, Septodont) has been shown to be an efficient way to anesthetize teeth in children. The aim of this study was to assess the efficacy of this method with MIH teeth. This preliminary study was performed using the Quick Sleeper system (Dental Hi Tec, Cholet, France) that allows computer-controlled rotation of the needle to penetrate the bone and computer-controlled injection of the anaesthetic solution. Patients (39) of the department of Paediatric Dentistry were included allowing 46 sessions (including 32 mandibular first permanent molars) to be assessed. CAIO showed efficacy in 93.5% (43/46) of cases. Failures (3) were due to impossibility to reach the spongy bone (1) and to achieve anaesthesia (2). This prospective study confirms that CAIO anaesthesia is a promising method to anesthetize teeth with MIH that could therefore be routinely used by trained practitioners.

Macromolecular geometries determined with field-flow fractionation and their impact on the overlap concentration.

PubMed

Rojas, Cinthia Carola; Wahlund, Karl-Gustav; Bergenståhl, Björn; Nilsson, Lars

2008-06-01

In this paper we aim to understand the size/conformation relationship in waxy barley starch, a polydisperse and ultrahigh molar mass biomacromolecule. Characterizations are performed with asymmetrical flow field-flow fractionation (AsFlFFF). Furthermore, we study the effect of homogenization on the molar mass, rms radius (r rms) and hydrodynamic radius (r h). For the untreated sample, the macromolecules are elongated objects with low apparent density. As a result of homogenization, molar mass, and r rms decrease, while r h remains unaffected. The process also induces an increase, and scaling with size, of apparent density as well as changes in conformation, represented qualitatively by r rms/ r h. Finally, results from AsFlFFF are compared with viscosimetry and discussed in terms of concentration and close-packing in relation to macromolecular shape and conformation. Hence, the results show that AsFlFFF and our novel methodology enable the determination of several physical properties with high relevance for the solution behavior of polydisperse macromolecules.

A retrospective study of a modified 1-minute formocresol pulpotomy technique part 1: clinical and radiographic findings.

PubMed

Kurji, Zahra A; Sigal, Michael J; Andrews, Paul; Titley, Keith

2011-01-01

The purpose of this study was to assess the clinical and radiographic outcomes of a 1-minute application of full-strength Buckley's formocresol with concurrent hemostasis using the medicated cotton pledget in human primary teeth. Using a retrospective chart review, clinical and radiographic data were available for 557 primary molars in 320 patients. Descriptive statistics and survival analysis were used to assess outcomes. Overall clinical success, radiographic success, and cumulative 5-year survival rates were approximately 99%, 90%, and 87%, respectively. Internal root resorption (∼5%) and pulp canal obliteration (∼2%) were the most frequently observed radiographic failures. Thirty-nine teeth were extracted due to clinical and or radiographic failure. Mandibular molars were 6 times more prone to radiographic failure than maxillary molars. Success rates for the modified technique are comparable to techniques that use the 5-minute diluted or full-strength solutions reported in the literature. This 1-minute full-strength formocresol technique is an acceptable alternative to published traditional techniques.

A Comparison of Different Volumes of Articaine for Inferior Alveolar Nerve Block for Molar Teeth with Symptomatic Irreversible Pulpitis.

PubMed

Abazarpoor, Ramin; Parirokh, Masoud; Nakhaee, Nouzar; Abbott, Paul V

2015-09-01

Achieving anesthesia in mandibular molar teeth with irreversible pulpitis is very difficult. The aim of this study was to compare the efficacy of 1.8 mL and 3.6 mL articaine for an inferior alveolar nerve block (IANB) when treating molars with symptomatic irreversible pulpitis. In a randomized, double-blind clinical trial, 82 first mandibular molar teeth with symptomatic irreversible pulpitis randomly received conventional IANB injection either with 1 (1.8 mL) or 2 cartridges (3.6 mL) of 4% articaine with 1:100,000 epinephrine. The patients recorded their pain before and during access cavity preparation as well as during root canal instrumentation using a Heft-Parker visual analog scale. No or mild pain was considered as successful anesthesia. Data were analyzed by t and chi-square tests. Eighty patients were eligible to participate in this study, which showed that 3.6 mL articaine provided a significantly higher success rate (77.5%) of IANBs compared with 1.8 mL of the same anesthetic solution (27.5%) although neither group had 100% successful anesthesia (P < .001). Increasing the volume of articaine provided a significantly higher success rate of IANBs in mandibular first molar teeth with symptomatic irreversible pulpitis, but it did not result in 100% anesthetic success. Copyright © 2015 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

A novel crystallization technique of hydroxyapatite utilizing contact reaction of minute droplet with atmospheric plasmas: Effects of the liquid source composition on the produced crystal properties

NASA Astrophysics Data System (ADS)

Wada, Y.; Kobayashi, T.; Matsumoto, M.; Onoe, K.

2017-10-01

To develop the technique for the control of the crystal composition and properties such as size distribution and morphology utilizing the contact reaction field around the minute droplets in atmospheric pressure plasma, fine spherical particles of hydroxyapatite ((Ca10(PO4)6(OH)2); HAp) were synthesized by a new plasma crystallization method. In this work, to elucidate the effects of the production region and crystal properties of hydroxyapatite for the liquid source composition, Ca2+ concentration and the Ca/P molar ratio in minute droplets were varied. The following results were obtained: (1) fine spherical HAp particles can be produced by the introduction of minute droplets with the initial Ca2+ concentration ((CCa)0) of 0.50 mol/l and the Ca/P molar ratio of 1.67. (2) When the (CCa)0 is set in the range higher than 1.00 mol/l at the constant Ca/P molar ratio of 1.67, fine spherical particles of β-TCP and HAp mixture are crystallized. (3) For the Ca/P molar ratio below 1.67, α-TCP and HAp co-precipitated. (4) The composition of the produced particles depends on both the reactant concentration and Ca/P molar ratio in the HAp source solution. (5) The dependence of the reactant concentration on the average size of the produced HAp particles is large compared with droplet size.

The Kirkwood-Buff theory of solutions and the local composition of liquid mixtures.

PubMed

Shulgin, Ivan L; Ruckenstein, Eli

2006-06-29

The present paper is devoted to the local composition of liquid mixtures calculated in the framework of the Kirkwood-Buff theory of solutions. A new method is suggested to calculate the excess (or deficit) number of various molecules around a selected (central) molecule in binary and multicomponent liquid mixtures in terms of measurable macroscopic thermodynamic quantities, such as the derivatives of the chemical potentials with respect to concentrations, the isothermal compressibility, and the partial molar volumes. This method accounts for an inaccessible volume due to the presence of a central molecule and is applied to binary and ternary mixtures. For the ideal binary mixture it is shown that because of the difference in the volumes of the pure components there is an excess (or deficit) number of different molecules around a central molecule. The excess (or deficit) becomes zero when the components of the ideal binary mixture have the same volume. The new method is also applied to methanol + water and 2-propanol + water mixtures. In the case of the 2-propanol + water mixture, the new method, in contrast to the other ones, indicates that clusters dominated by 2-propanol disappear at high alcohol mole fractions, in agreement with experimental observations. Finally, it is shown that the application of the new procedure to the ternary mixture water/protein/cosolvent at infinite dilution of the protein led to almost the same results as the methods involving a reference state.

Liquid chromatographic characterization of PMR-15 resin and prepreg

NASA Technical Reports Server (NTRS)

Reed, K. E.

1980-01-01

A liquid chromatographic method has been developed capable of providing a chemical fingerprint of PMR-15 resin solutions and prepreg. The amounts of two of the monomers can be quantified so their experimentally determined molar ratio can be compared to the formulated one. Only the monomers were detected in fresh resin solution, whereas several additional components, resulting from an association or reaction between the norbornenyl endcap and the amine, were detected in a resin solution aged for three days. Two commercial prepregs exhibited fingerprints similar to that of laboratory material, but three others contained additional components corresponding to higher esters and nadimides.

Liquid-liquid equilibrium in the- n-heptane- n-perfluorohexane system

NASA Astrophysics Data System (ADS)

Khairulin, R. A.; Stankus, S. V.; Gruzdev, V. A.; Bityutskii, V. A.

2009-01-01

The shape of the liquid-liquid coexistence curve in the C7H16-C6F14 system in the molar concentration-temperature coordinates close to the critical solution point was studied by narrow-beam gamma-raying of two-phase samples. The molar volumes of the coexisting liquid phases and critical point coordinates (critical temperature T c = 316.266 ± 0.03 K and critical concentration x c = 39.0 ± 0.4 mol % C6F14) were determined. The critical index β of the coexistence curve was found to be 0.322 ± 0.005. The diameter of the coexistence curve did not obey the classic “rectilinear diameter rule.”

Synthesis and Characterization of Mg-doped ZnO Nanorods for Biomedical Applications

NASA Astrophysics Data System (ADS)

Gemar, H.; Das, N. C.; Wanekaya, A.; Delong, R.; Ghosh, K.

2013-03-01

Nanomaterials research has become a major attraction in the field of advanced materials research in the area of Physics, Chemistry, and Materials Science. Bio-compatible and chemically stable metal nanoparticles have biomedical applications that includes drug delivery, cell and DNA separation, gene cloning, magnetic resonance imaging (MRI). This research is aimed at the fabrication and characterization of Mg-doped ZnO nanorods. Hydrothermal synthesis of undoped ZnO and Mg-doped ZnO nanorods is carried out using aqueous solutions of Zn(NO3)2 .6H2O, MgSO4, and using NH4OH as hydrolytic catalyst. Nanomaterials of different sizes and shapes were synthesized by varying the process parameters such as molarity (0.15M, 0.3M, 0.5M) and pH (8-11) of the precursors, growth temperature (130°C), and annealing time during the hydrothermal Process. Structural, morphological, and optical properties are studied using various techniques such as XRD, SEM, UV-vis and PL spectroscopy. Detailed structural, and optical properties will be discussed in this presentation. This work is partially supported by National Cancer Institute (1 R15 CA139390-01).

Synthesis and anticoagulant activity of the quaternary ammonium chitosan sulfates.

PubMed

Fan, Lihong; Wu, Penghui; Zhang, Jinrong; Gao, Song; Wang, Libo; Li, Mingjia; Sha, Mingming; Xie, Weiguo; Nie, Min

2012-01-01

Quaternary ammonium chitosan sulfates with diverse degrees of substitution (DS) ascribed to sulfate groups between 0.52 and 1.55 were synthesized by reacting quaternary ammonium chitosan with an uncommon sulfating agent (N(SO(3)Na)(3)) that was prepared from sodium bisulfite (NaHSO(3)) through reaction with sodium nitrite (NaNO(2)) in the aqueous system homogeneous. The structures of the derivatives were characterized by FTIR, (1)H NMR and (13)C NMR. The factors affecting DS of quaternary ammonium chitosan sulfates which included the molar ratio of NaNO(2) to quaternary ammonium chitosan, sulfated temperature, sulfated time and pH of sulfated reaction solution were investigated in detail. Its anticoagulation activity in vitro was determined by an activated partial thromboplastin time (APTT) assay, a thrombin time (TT) assay and a prothrombin time (PT) assay. Results of anticoagulation assays showed quaternary ammonium chitosan sulfates significantly prolonged APTT and TT, but not PT, and demonstrated that the introduction of sulfate groups into the quaternary ammonium chitosan structure improved its anticoagulant activity obviously. The study showed its anticoagulant properties strongly depended on its DS, concentration and molecular weight. Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

Partial purification and characterization of a Ca(2+)-dependent protein kinase from the green alga, Dunaliella salina

NASA Technical Reports Server (NTRS)

Roux, S. J.

1990-01-01

A calcium-dependent protein kinase was partially purified and characterized from the green alga Dunaliella salina. The enzyme was activated at free Ca2+ concentrations above 10(-7) molar. and half-maximal activation was at about 3 x 10(-7) molar. The optimum pH for its Ca(2+)-dependent activity was 7.5. The addition of various phospholipids and diolein had no effects on enzyme activity and did not alter the sensitivity of the enzyme toward Ca2+. The enzyme was inhibited by calmodulin antagonists, N-(6-aminohexyl)-1-naphthalene sulfonamide and N-(6-aminohexyl)-5-chloro-1-naphthalene sulfonamide in a dose-dependent manner while the protein kinase C inhibitor, sphingosine, had little effect on enzyme activity up to 800 micromolar. Immunoassay showed some calmodulin was present in the kinase preparations. However, it is unlikely the kinase was calmodulin regulated, since it still showed stimulation by Ca2+ in gel assays after being electrophoretically separated from calmodulin by two different methods. This gel method of detection of the enzyme indicated that a protein band with an apparent molecular weight of 40,000 showed protein kinase activity at each one of the several steps in the purification procedure. Gel assay analysis also showed that after native gel isoelectric focusing the partially purified kinase preparations had two bands with calcium-dependent activity, at isoelectric points 6.7 and 7.1. By molecular weight, by isoelectric point, and by a comparative immunoassay, the Dunaliella kinase appears to differ from at least some of the calcium-dependent, but calmodulin and phospholipid independent kinases described from higher plants.

Anomalous diffusion associated with nonlinear fractional derivative fokker-planck-like equation: exact time-dependent solutions

PubMed

Bologna; Tsallis; Grigolini

2000-08-01

We consider the d=1 nonlinear Fokker-Planck-like equation with fractional derivatives ( partial differential/ partial differentialt)P(x,t)=D( partial differential(gamma)/ partial differentialx(gamma))[P(x,t)](nu). Exact time-dependent solutions are found for nu=(2-gamma)/(1+gamma)(-infinity

Radial flow to a partially penetrating well with storage in an anisotropic confined aquifer

NASA Astrophysics Data System (ADS)

Mishra, Phoolendra Kumar; Vesselinov, Velimir V.; Neuman, Shlomo P.

2012-07-01

SummaryDrawdowns generated by extracting water from large diameter (e.g. water supply) well are affected by wellbore storage. We present an analytical solution in Laplace transformed space for drawdown in a uniform anisotropic aquifer caused by withdrawing water at a constant rate from partially penetrating well with storage. The solution is back transformed into the time domain numerically. When the pumping well is fully penetrating our solution reduces to that of Papadopulos and Cooper (1967); Hantush (1964) when the pumping well has no wellbore storage; Theis (1935) when both conditions are fulfilled and Yang (2006) when the pumping well is partially penetrating, has finite radius but lacks storage. Newly developed solution is then used to explore graphically the effects of partial penetration, wellbore storage and anisotropy on time evolutions of drawdown in the pumping well and in observation wells. We concluded after validating the developed analytical solution using synthetic pumping test.

Increasing the sensitivity of the Jaffe reaction for creatinine

NASA Technical Reports Server (NTRS)

Tom, H. Y.

1973-01-01

Study of analytical procedure has revealed that linearity of creatinine calibration curve can be extended by using 0.03 molar picric acid solution made up in 70 percent ethanol instead of water. Three to five times more creatinine concentration can be encompassed within linear portion of calibration curve.

The Mole Concept

ERIC Educational Resources Information Center

Duncan, I. M.; Johnstone, A. H.

1973-01-01

Reports a study of difficulties encountered by 14.5- to 15.0- year-old children in learning the mole concept with a programed instruction. Concludes that three respective disturbing factors were embedded in manipulation of molarity of solutions, balancing equations, and misapprehension that one mole of a compound always reacts with one mole of…

Molecular Volumes and the Stokes-Einstein Equation

ERIC Educational Resources Information Center

Edward, John T.

1970-01-01

Examines the limitations of the Stokes-Einstein equation as it applies to small solute molecules. Discusses molecular volume determinations by atomic increments, molecular models, molar volumes of solids and liquids, and molal volumes. Presents an empirical correction factor for the equation which applies to molecular radii as small as 2 angstrom…

Thermodynamics of Sodium Dodecyl Sulfate (SDS) Micellization: An Undergraduate Laboratory Experiment

ERIC Educational Resources Information Center

Marcolongo, Juan P.; Mirenda, Martin

2011-01-01

An undergraduate laboratory experiment is presented that allows a thermodynamic characterization of micelle formation of sodium dodecyl sulfate (SDS) in aqueous solutions. The critical micelle concentration (CMC) and the degree of micelle ionization (alpha) are obtained at different temperatures by conductimetry. The molar standard free energy…

Evaluation of Buccal Infiltration with Articaine and Inferior Alveolar Nerve Block with Lignocaine for Pulp Therapy in Mandibular Primary Molars.

PubMed

Chopra, Radhika; Marwaha, Mohita; Bansal, Kalpana; Mittal, Meenu

2016-01-01

Failure of inferior alveolar nerve block in achieving profound anesthesia of the pulp due to various reasons has led to the introduction of more potent local anesthetic agents like articaine. This study was conducted to compare the efficacy of buccal infiltration with articaine in achieving pulpal anesthesia of primary molars as compared to inferior alveolar nerve block with lignocaine. 30 patients (4-8 years) with indication of pulp therapy in at least two mandibular primary molars were selected. Patients were randomly assigned to receive nerve block with lignocaine or infiltration with articaine on first appointment and the other solution on second appointment. All the pulpotomies and pulpectomies were performed by a pediatric dentist. Two researchers standing at a distance of 1.5 m recorded the Pain Scores and Sound, Eye, Motor (SEM) scores. After the completion of procedure, the patient was asked to record the Facial Image score and Heft-Parker Visual Analogue Score (HP-VAS). Pain Score recorded at the time of injection showed significantly more movements with block as compared to infiltration (p<0.001). SEM scores at time of pulp extirpation were also higher for block than infiltration (p<0.001). Articaine infiltration has the potential to replace inferior alveolar nerve block for primary mandibular molars.

Effect of occlusal calculus utilized as a potential "biological sealant" in special needs patients with gastric feeding tubes: a qualitative in vitro contrast to pit and fissure sealant restorations.

PubMed

Owens, Barry M; Sharp, Harry K; Fourmy, Emily E; Phebus, Jeffrey G

2016-01-01

The aim of this case report and in vitro investigation was to evaluate the marginal microleakage of intact occlusal calculus of primary molars extracted from a special needs patient who received nutrition via a gastric feeding tube. An adolescent with a history of developmental disturbance presented for routine dental care in a hospital facility. Prophylaxis was performed, and 2 mandibular permanent molars were restored. Five primary molars were extracted due to mobility and delayed retention. Heavy deposits of intact calculus were present on the occlusal surfaces of the primary teeth. The extracted teeth were immersed in methylene blue dye solution, invested in acrylic resin, sectioned into blocks, and photographed at 20× and 40× magnification. Previously photographed calculus-free molars with pit and fissure sealants were reviewed and served as contrasting "restorations." The occlusal calculus on the primary teeth extracted from the patient absorbed the dye, while the comparison teeth containing pit and fissure sealants exhibited varying degrees of marginal dye penetration (microleakage). No marginal microleakage was noted in the calculus specimens, indicating that this substrate may serve as a "natural" occlusal surface sealant and that its removal from occlusal surfaces during routine oral prophylaxis may be unnecessary.

Thermodynamic and kinetic characterization of polycyclic aromatic hydrocarbons in reversed-phase liquid chromatography.

PubMed

Howerton, Samuel B; McGuffin, Victoria L

2003-07-15

The retention of six polycyclic aromatic hydrocarbons (PAHs) was characterized by reversed-phase liquid chromatography. The PAHs were detected by laser-induced fluorescence at four points along an optically transparent capillary column. The profiles were characterized in space and time using an exponentially modified Gaussian equation. The resulting parameters were used to calculate the retention factors, as well as the concomitant changes in molar enthalpy and molar volume, for each PAH on monomeric (2.7 micromol/m2) and polymeric (5.4 micromol/m2) octadecylsilica. The changes in molar enthalpy become more exothermic as ring number increases and as annelation structure becomes less condensed. The changes in molar volume become more negative as ring number increases for the planar PAHs, but are positive for the nonplanar solutes. In addition, the rate constants, as well as the concomitant activation enthalpy and activation volume, are calculated for the first time. The kinetic data demonstrate that many of the PAHs exhibit very fast transitions between the mobile and stationary phases. The transition state is very high in energy, and the activation enthalpies and volumes become greater as ring number increases and as annelation structure becomes less condensed. The changes in thermodynamic and kinetic behavior are much more pronounced for the polymeric phase than for the monomeric phase.

Molecular representation of molar domain (volume), evolution equations, and linear constitutive relations for volume transport.

PubMed

Eu, Byung Chan

2008-09-07

In the traditional theories of irreversible thermodynamics and fluid mechanics, the specific volume and molar volume have been interchangeably used for pure fluids, but in this work we show that they should be distinguished from each other and given distinctive statistical mechanical representations. In this paper, we present a general formula for the statistical mechanical representation of molecular domain (volume or space) by using the Voronoi volume and its mean value that may be regarded as molar domain (volume) and also the statistical mechanical representation of volume flux. By using their statistical mechanical formulas, the evolution equations of volume transport are derived from the generalized Boltzmann equation of fluids. Approximate solutions of the evolution equations of volume transport provides kinetic theory formulas for the molecular domain, the constitutive equations for molar domain (volume) and volume flux, and the dissipation of energy associated with volume transport. Together with the constitutive equation for the mean velocity of the fluid obtained in a previous paper, the evolution equations for volume transport not only shed a fresh light on, and insight into, irreversible phenomena in fluids but also can be applied to study fluid flow problems in a manner hitherto unavailable in fluid dynamics and irreversible thermodynamics. Their roles in the generalized hydrodynamics will be considered in the sequel.

Rare Complication in Third Maxillary Molar Extraction: Dislocation in Infratemporal Fossa.

PubMed

Battisti, Andrea; Priore, Paolo; Giovannetti, Filippo; Barbera, Giorgio; D'Alessandro, Francesco; Valentini, Valentino

2017-10-01

Removal of impacted third maxillary molar is frequently carried out without difficulties and low rate of intraoperative complications. The rare and particularly challenger to manage it is the third molar dislocation into the infratemporal fossa (IF). In this clinical report, the authors present their solution to manage and resolve this particular complication. A 28-year-old woman was referred to the emergency rescue unit of the authors' hospital by her dentistry, after the attempt to extract the left impacted maxillary third molar. During the procedure the tooth accidentally dislodged and was lost sight of it. The patient had significant mouth-opening limitation, omolateral mid face swelling and pain. Computer tomography was immediately performed to determine the exact position of the tooth, showing the dental element dislocated into the IF. Considering all of possible complications the best surgical option must guarantee a direct approach and a constant eye contact of the tooth, even in case of further displacement during the procedure, and allow early surgery. The authors used an endoscopic transoral approach through the preexisted access and solved all the issues reducing morbidity. Removing tooth from the IF could be burdened by serious risk of bleeding and/or nerve injury. The endoscopic approach provides direct view of the IF reducing morbidity.

Hydrothermal synthesis of zeolite T from kaolin using two different structure-directing agents

NASA Astrophysics Data System (ADS)

Arshad, Sazmal E.; Lutfor Rahman, M.; Sarkar, Shaheen M.; Yusslee, Eddy F.; Patuwan, Siti Z.

2018-01-01

Zeolite T was synthesized from the molar chemical composition of 1SiO2:0.04Al2O3:0.26Na2O:0.09K2O:14H2O in the form of a homogenous milky solution in the presence of the two different structure-directing agents TMAOH and TEAOH respectively. Modification of the composition of silica was undertaken using metakaolin from calcined kaolin at 750 °C for 4 h, while the molar composition of each different SDA was variated from 0.05, 0.10, 0.15, 0.20 and 0.25. The homogenous mixture was left at room temperature for 24 h before undergoing hydrothermal synthesis at 100 °C for 168 h. The synthesized samples were filtered and aged at 120 °C for 2 h and each sample was calcined at high temperatures (545 °C for TMAOH and 520 °C for TEAOH) for template removal before characterization using XRD and SEM. Crystallization of the zeolite T in its major form only took place at a molar ratio of 0.10 of TMAOH, while TEAOH showed the species evolution of zeolite T into zeolite L and W for other molar ratios.

Ultrafast, efficient separations of large-sized dsDNA in a blended polymer matrix by microfluidic chip electrophoresis: A Design of Experiments approach

PubMed Central

Sun, Mingyun; Lin, Jennifer S.

2012-01-01

Double-stranded (ds) DNA fragments over a wide size range were successfully separated in blended polymer matrices by microfluidic chip electrophoresis. Novel blended polymer matrices composed of two types of polymers with three different molar masses were developed to provide improved separations of large dsDNA without negatively impacting the separation of small dsDNA. Hydroxyethyl celluloses (HECs) with average molar masses of ~27 kDa and ~1 MDa were blended with a second class of polymer, high-molar mass (~7 MDa) linear polyacrylamide (LPA). Fast and highly efficient separations of commercially available DNA ladders were achieved on a borosilicate glass microchip. A distinct separation of a 1 Kb DNA extension ladder (200 bp to 40,000 bp) was completed in 2 minutes. An orthogonal Design of Experiments (DOE) was used to optimize experimental parameters for DNA separations over a wide size range. We find that the two dominant factors are the applied electric field strength and the inclusion of a high concentration of low-molar mass polymer in the matrix solution. These two factors exerted different effects on the separations of small dsDNA fragments below 1 kbp, medium dsDNA fragments between 1 kbp and 10 kbp, and large dsDNA fragments above 10 kbp. PMID:22009451

Effects of fiber-glass-reinforced composite restorations on fracture resistance and failure mode of endodontically treated molars.

PubMed

Nicola, Scotti; Alberto, Forniglia; Riccardo, Michelotto Tempesta; Allegra, Comba; Massimo, Saratti Carlo; Damiano, Pasqualini; Mario, Alovisi; Elio, Berutti

2016-10-01

The study evaluated the fracture resistance and fracture patterns of endodontically treated mandibular first molars restored with glass-fiber-reinforced direct composite restorations. In total, 60 extracted intact first molars were treated endodontically; a mesio-occluso-distal (MOD) cavity was prepared and specimens were then divided into six groups: sound teeth (G1), no restoration (G2), direct composite restoration (G3), fiber-post-supported direct composite restoration (G4), direct composite reinforced with horizontal mesio-distal glass-fibers (G5), and buccal-palatal glass-fibers (G6). Specimens were subjected to 5000 thermocycles and 20,000 cycles of 45° oblique loading force at 1.3Hz and 50N; they were then loaded until fracture. The maximum fracture loads were recorded in Newtons (N) and data were analyzed with one-way ANOVA and post-hoc Tukey tests (p<0.05). Fractured specimens were analyzed with a scanning electron microscope (SEM). The mean static loads (in Newtons) were: G1, 831.83; G2, 282.86; G3, 364.18; G4, 502.93; G5, 499.26; and G6, 582.22. Fracture resistance did not differ among G4, G5, and G6, but was significantly higher than G3 (p=0.001). All specimens fractured in a catastrophic way. In G6, glass fibers inducted a partial deflection of the fracture, although they were not able to stop crack propagation. For the direct restoration of endodontically treated molars, reinforcement of composite resins with glass-fibers or fiber posts can enhance fracture resistance. The SEM analysis showed a low ability of horizontal glass-fibers to deviate the fracture, but this effect was not sufficient to lead to more favorable fracture patterns above the cement-enamel junction (CEJ). The fracture resistance of endodontically treated molars restored with direct composite restorations seems to be increased by reinforcement with fibers, even if it is insufficient to restore sound molar fracture resistance and cannot avoid vertical fractures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nanofiltration properties of PTMSP in binary organic solvents mixtures

NASA Astrophysics Data System (ADS)

Yushkin, A. A.; Kossov, A. A.; Volkov, V. V.

2016-09-01

In this study, the stability and nanofiltration performance of poly[1-(trimethylsilyl)- 1-propyne] (PTMSP) in ethanol solutions of butylaldehyde, 1-decanal, 1-hexene, 1-decene was evaluated. It was found that PTMSP was insoluble in all aldehyde solutions, but it was soluble at olefin concentration of 80% or higher. Nanofiltration experiments demonstrate that binary mixtures of 1-decanal and ethanol viscosity are not the parameter affecting on membrane permeability and rejection of solute as well as swelling degree. In the case of decanol/ethanol solutions both solution viscosity and molar volume demonstrate the best fit of experimental data. It was shown that with the decrease of ethanol content in the feed, the rejection of anionic solute Remazol Brilliant Blue R (MW 626) increases from 94 up to 97%.

Optimal moving grids for time-dependent partial differential equations

NASA Technical Reports Server (NTRS)

Wathen, A. J.

1992-01-01

Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of PDE solutions in the least-squares norm are reported.

Effects of Two Different Anesthetic Solutions on Injection Pain, Efficacy, and Duration of Soft-Tissue Anesthesia with Inferior Alveolar Nerve Block for Primary Molars.

PubMed

Elbay, Ülkü Şermet; Elbay, Mesut; Kaya, Emine; Yıldırım, Sinem

The purpose of the study was to compare the efficacy, injection pain, duration of soft tissue anesthesia, and postoperative complications of two different anesthetics (2% lidocaine with 1:80,000 epinephrine and 3% plain mepivacaine) in pediatric patients in inferior alveolar nerve block (IANB) administered by a computer-controlled delivery system (CCDS). The study was conducted as a randomized, controlled-crossover, double-blind clinical trial with 60 children requiring bilateral pulpotomy or extraction of primary mandibular molars. A CCDS was used to deliver 3% mepivacaine to 1 primary tooth and 2% lidocaine to the contralateral tooth with an IANB technique. Severity of pain and efficacy of anesthesia were evaluated using the Face, Legs, Activity, Cry, Consolability Scale, and comfort and side effects were assessed using a questionnaire. Data were analyzed using the Mann-Whitney U, Wilcoxon t, and Fisher exact tests. Patients receiving 2% lidocaine experienced significantly less pain during injection than those receiving 3% mepivacaine, and no significant differences were found in the pain scores during treatments or in postoperative complications between the two anesthetics. The mean durations of anesthesia for 3% mepivacaine and 2% lidocaine were 139.68 minutes and 149.10 minutes, respectively. Plain mepivacaine and 2% lidocaine were similarly effective in pulpotomy and the extraction of primary mandibular molars. Although the use of 3% mepivacaine provided a shorter duration of anesthesia than 2% lidocaine, both solutions showed similar results in terms of postoperative complications.

Melt densities in the CaO-FeO-Fe 2O 3-SiO 2 system and the compositional dependence of the partial molar volume of ferric iron in silicate melts

NASA Astrophysics Data System (ADS)

Dingwell, Donald B.; Brearley, Mark

1988-12-01

The densities of 10 melts in the CaO-FeO-Fe 2O 3-SiO 2 system were determined in equilibrium with air, in the temperature range of 1200 to 1550°C, using the double-bob Archimedean technique. Melt compositions range from 6 to 58 wt% SiO 2, 14 to 76 wt% Fe 2O 3 and 10 to 46 wt% CaO. The ferric-ferrous ratios of glasses drop-quenched from loop fusion equilibration experiments were determined by 57Fe Mössbauer spectroscopy. Melt densities range from 2.689 to 3.618 gm/cm 3 with a mean standard deviation from replicate experiments of 0.15%. Least-squares regressions of molar volume versus molar composition have been performed and the root mean squared deviation shows that a linear combination of partial molar volumes for the oxide components (CaO, FeO, Fe 2O 3 and SiO 2) cannot describe the data set within experimental error. Instead, the inclusion of excess terms in CaFe 3+ and CaSi (product terms using the oxides) is required to yield a fit that describes the experimental data within error. The nonlinear compositional-dependence of the molar volumes of melts in this system can be explained by structural considerations of the roles of Ca and Fe 3+. The volume behavior of melts in this system is significantly different from that in the Na 2O-FeO-Fe 2O 3-SiO 2 system, consistent with the proposal that a proportion of Fe 3+ in melts in the CaO-FeO-Fe 2O 3-SiO 2 system is not tetrahedrally-coordinated by oxygen, which is supported by differences in 57Fe Mössbauer spectra of glasses. Specifically, this study confirms that the 57Fe Mössbauer spectra exhibit an area asymmetry and higher values of isomer shift of the ferric doublet that vary systematically with composition and temperature (this study; Dingwell and Virgo, 1987, 1988). These observations are consistent with a number of other lines of evidence ( e.g., homogeneous redox equilibria, Dickenson and Hess, 1986; viscosity, Dingwell and Virgo, 1987,1988). Two species of ferric iron, varying in proportions with temperature, composition and redox state, are sufficient to describe the above observations. The presence of more than one coordination geometry for Fe 3+ in low pressure silicate melts has several implications for igneous petrogenesis. The possible effects on compressibility, the pressure dependence of the redox ratio, and redox enthalpy are briefly noted.

Tooth loss in well-maintained patients with chronic periodontitis during long-term supportive therapy in Brazil.

PubMed

Chambrone, Luiz A; Chambrone, Leandro

2006-10-01

The objective of this retrospective study was to assess the reasons for tooth loss in a sample of patients who underwent periodontal therapy and supportive periodontal therapy (SPT) in a Brazilian private periodontal practice. A sample of 120 subjects who had been treated and maintained for 10 years or longer was selected from patients attending a periodontal practice. All patients followed a similar treatment: basic procedures, re-evaluation and periodontal surgery where indicated. Reasons for tooth loss were categorized as periodontal, caries, endodontal, root fractures and extraction of retained or partially erupted third molars. Of the 2927 teeth present at the completion of active periodontal treatment, 53 (1.8%) were lost due to periodontal disease, 16 (0.5%) for root fracture, six (0.2%) to caries, five (0.2%) for endodontic reasons and 31 (1.0%) were lost to extraction of retained or partially erupted third molars. Logistic regression analysis was performed to investigate the association between five independent variables with tooth loss due to periodontitis. Only age (> 60 years) and smoking were statistically significant (p < 0.05). The findings of this survey were consistent with previous studies. Older subjects and smokers were more susceptible to periodontal tooth loss. In addition, patients with generalized chronic periodontitis were treated and maintained for long-term periods with low rates of tooth loss.

Heterogeneous uptake of ammonia and dimethylamine into sulfuric and oxalic acid particles

NASA Astrophysics Data System (ADS)

Sauerwein, Meike; Keung Chan, Chak

2017-05-01

Heterogeneous uptake is one of the major mechanisms governing the amounts of short-chain alkylamines and ammonia (NH3) in atmospheric particles. Molar ratios of aminium to ammonium ions detected in ambient aerosols often exceed typical gas phase ratios. The present study investigated the simultaneous uptake of dimethylamine (DMA) and NH3 into sulfuric and oxalic acid particles at gaseous DMA / NH3 molar ratios of 0.1 and 0.5 at 10, 50 and 70 % relative humidity (RH). Single-gas uptake and co-uptake were conducted under identical conditions and compared. Results show that the particulate dimethyl-aminium/ammonium molar ratios (DMAH / NH4) changed substantially during the uptake process, which was severely influenced by the extent of neutralisation and the particle phase state. In general, DMA uptake and NH3 uptake into concentrated H2SO4 droplets were initially similarly efficient, yielding DMAH / NH4 ratios that were similar to DMA / NH3 ratios. As the co-uptake continued, the DMAH / NH4 gradually dropped due to a preferential uptake of NH3 into partially neutralised acidic droplets. At 50 % RH, once the sulfate droplets were neutralised, the stronger base DMA displaced some of the ammonium absorbed earlier, leading to DMAH / NH4 ratios up to four times higher than the corresponding gas phase ratios. However, at 10 % RH, crystallisation of partially neutralised sulfate particles prevented further DMA uptake, while NH3 uptake continued and displaced DMAH+, forming almost pure ammonium sulfate. Displacement of DMAH+ by NH3 has also been observed in neutralised, solid oxalate particles. The results can explain why DMAH / NH4 ratios in ambient liquid aerosols can be larger than DMA / NH3, despite an excess of NH3 in the gas phase. An uptake of DMA to aerosols consisting of crystalline ammonium salts, however, is unlikely, even at comparable DMA and NH3 gas phase concentrations.

The management of an endodontically abscessed tooth: patient health state utility, decision-tree and economic analysis

PubMed Central

Balevi, Ben; Shepperd, Sasha

2007-01-01

Background A frequent encounter in clinical practice is the middle-aged adult patient complaining of a toothache caused by the spread of a carious infection into the tooth's endodontic complex. Decisions about the range of treatment options (conventional crown with a post and core technique (CC), a single tooth implant (STI), a conventional dental bridge (CDB), and a partial removable denture (RPD)) have to balance the prognosis, utility and cost. Little is know about the utility patients attach to the different treatment options for an endontically abscessed mandibular molar and maxillary incisor. We measured patients' dental-health-state utilities and ranking preferences of the treatment options for these dental problems. Methods Forty school teachers ranked their preferences for conventional crown with a post and core technique, a single tooth implant, a conventional dental bridge, and a partial removable denture using a standard gamble and willingness to pay. Data previously reported on treatment prognosis and direct "out-of-pocket" costs were used in a decision-tree and economic analysis Results The Standard Gamble utilities for the restoration of a mandibular 1st molar with either the conventional crown (CC), single-tooth-implant (STI), conventional dental bridge (CDB) or removable-partial-denture (RPD) were 74.47 [± 6.91], 78.60 [± 5.19], 76.22 [± 5.78], 64.80 [± 8.1] respectively (p < 0.05). Their respective Willingness-to-Pay ($CDN) were 1,782.05 [± 361.42], 1,871.79 [± 349.44], 1,605.13 [± 348.10], 1,351.28 [± 368.62] (p < 0.05). The standard gamble utilities for the restoration of a maxillary central incisor with a CC, STI, CDB and RPD were 88.50 [± 6.12], 90.68 [± 3.41], 89.78 [± 3.81] and 91.10 [± 3.57] respectively (p > 0.05). Their respective willingness-to-pay ($CDN) were: 1,782.05 [± 361.42], 1,871.79 [± 349.44], 1,605.13 [± 348.10] and 1,351.28 [± 368.62]. A statistical difference was found between the utility of treating a maxillary central incisor and mandibular 1st-molar (p < 0.05). The expected-utility-value for a 5-year prosthetic survival was highest for the CDB and the STI treatment of an abscessed mandibular molar (74.75 and 71.47 respectively) and maxillary incisor (86.24 and 84.91 respectively). This held up to a sensitivity analysis when the success of root canal therapy and the risk of damage to the adjacent tooth were varied. The RPD for both the molar and incisor was the favored treatment based on a cost-utility (3.85 and 2.74 CND$ per year of tooth saved respectively) and cost-benefit analysis (0.92 to 0.60 CND$ of cost per $ of benefit, respectively) for a prosthetic clinical survival of 5-years. Conclusion The position of the abscessed tooth and the amount of insurance coverage influences the utility and rank assigned by patients to the different treatment options. STI and CDB have optimal EUVs for a 5-year survival outcome, and RPD has significantly lower cost providing the better cost:benefit ratio. PMID:18053267

Method for extracting lanthanides and actinides from acid solutions by modification of purex solvent

DOEpatents

Horwitz, E. Philip; Kalina, Dale G.

1986-01-01

A process for the recovery of actinide and lanthanide values from aqueous solutions with an extraction solution containing an organic extractant having the formula: ##STR1## where .phi. is phenyl, R.sup.1 is a straight or branched alkyl or alkoxyalkyl containing from 6 to 12 carbon atoms and R.sup.2 is an alkyl containing from 3 to 6 carbon atoms and phase modifiers in a water-immiscible hydrocarbon diluent. The addition of the extractant to the Purex process extractant, tri-n-butylphosphate in normal paraffin hydrocarbon diluent, will permit the extraction of multivalent lanthanide and actinide values from 0.1 to 12.0 molar acid solutions.

A glycoconjugate of Haemophilus influenzae Type b capsular polysaccharide with tetanus toxoid protein: hydrodynamic properties mainly influenced by the carbohydrate.

PubMed

Abdelhameed, Ali Saber; Adams, Gary G; Morris, Gordon A; Almutairi, Fahad M; Duvivier, Pierre; Conrath, Karel; Harding, Stephen E

2016-02-26

Three important physical properties which may affect the performance of glycoconjugate vaccines against serious disease are molar mass (molecular weight), heterogeneity (polydispersity), and conformational flexibility in solution. The dilute solution behaviour of native and activated capsular polyribosylribitol (PRP) polysaccharides extracted from Haemophilus influenzae type b (Hib), and the corresponding glycoconjugate made by conjugating this with the tetanus toxoid (TT) protein have been characterized and compared using a combination of sedimentation equilibrium and sedimentation velocity in the analytical ultracentrifuge with viscometry. The weight average molar mass of the activated material was considerably reduced (Mw ~ 0.24 × 10(6) g.mol(-1)) compared to the native (Mw ~ 1.2 × 10(6) g.mol(-1)). Conjugation with the TT protein yielded large polydisperse structures (of Mw ~ 7.4 × 10(6) g.mol(-1)), but which retained the high degree of flexibility of the native and activated polysaccharide, with frictional ratio, intrinsic viscosity, sedimentation conformation zoning behaviour and persistence length all commensurate with highly flexible coil behaviour and unlike the previously characterised tetanus toxoid protein (slightly extended and hydrodynamically compact structure with an aspect ratio of ~3). This non-protein like behaviour clearly indicates that it is the carbohydrate component which mainly influences the physical behaviour of the glycoconjugate in solution.

Characterization of dissolved organic matter during reactive transport: A column experiment with spectroscopic detection

NASA Astrophysics Data System (ADS)

Vazquez, A.; Hernández, S.; Rasmussen, C.; Chorover, J.

2010-12-01

Al and Fe oxy-hydroxide minerals have been implicated in dissolved organic matter (DOM) stabilization. DOM solutions from a Pinus ponderosa forest floor (PPDOM) were used to irrigate polypropylene columns, 3.2 cm long by 0.9 cm diameter (total volume 2.0 cm3), that were packed with quartz sand (QS), gibbsite-quartz sand (Al-QS), and goethite-quartz sand (Fe-QS) mixtures. To investigate the mobilization and fractionation of DOM during reactive transport, effluent solutions were characterized by UV-Vis absorbance and excitation-emission matrix (EEM) fluorescence spectroscopies. Magnitude of PPDOM sorption followed the trend Al-QS > Fe-QS > QS during the initial transport. Effluent pH values suggest that ligand exchange is a primary mechanism for PPDOM sorption onto oxy-hydroxide minerals. Low molar absorptivity values were observed in effluent solutions of early pore volumes, indicating preferential mobilization of compounds with low aromatic character. Compounds traditionally characterized by EEM spectroscopy as being more highly humified were favorably absorbed onto the gibbsite and goethite surfaces. Humification index values (HIX) were also correlated with DOM aromaticity. HIX results suggest that the presence of low mass fractions of oxy-hydroxide minerals affect the preferential uptake of high molar mass constituents of PPDOM during reactive transport.

Oxygen stoichiometry, phase stability, and thermodynamic behavior of the lead-doped Bi-2223 and Ag/Bi-2223 systems

NASA Astrophysics Data System (ADS)

Tetenbaum, M.; Hash, M.; Tani, B. S.; Luo, J. S.; Maroni, V. A.

1995-02-01

Electromotive-force (EMF) measurements of oxygen fugacities as a function of stoichiometry have been made in the lead-doped Bi-2223 superconducting system in the temperature range 700-815°C by means of an oxygen titration technique that employs an yttria-stabilized zirconia electrolyte. The results of our studies indicate that processing or annealing lead-doped Bi-2223 at temperatures ranging from 750 to 815°C and at oxygen partial pressures ranging from ∼ 0.02 to 0.2 atm should preserve Bi-2223 as essentially single-phase material. Thermodynamic assessments of the partial molar quantities ΔS¯( O2) andΔH¯( O2) indicate that the plateau regions in the plot of oxygen partial pressure versus oxygen stoichiometry ( x) can be represented by the diphasic CuOCu 2O system. In accord with the EMF measurements, it was found that lead-doped Bi-2223 in a silver sheath is stable at 815°C for oxygen partial pressures between 0.02 and 0.13 atm.

Thermodynamic and nonstoichiometric behavior of the lead-doped Bi-2223 system

NASA Astrophysics Data System (ADS)

Tetenbaum, M.; Hash, M.; Tani, B. S.; Luo, J. S.; Maroni, V. A.

1994-12-01

Electromotive force (EMF) measurements of oxygen fugacities as a function of stoichiometry have been made in the lead-doped Bi-2223 superconducting system in the temperature range 700-815°C by means of an oxygen titration technique. The results of our studies indicate that processing or annealing lead-doped Bi-2223 at temperatures ranging from 700 to 815°C and at oxygen partial pressures ranging from ∼0.02 to 0.2 atm should tend to preserve Bi-2223 as essentially single-phase material. Thermodynamic assessments of partial molar quantities indicate that the plateau regions can be represented by the diphasic CuOCu 2O system. In accord with the EMF measurements, it was found that lead-doped Bi-2223 in a silver sheath is stable at 815°C for oxygen partial pressures between 0.02 and 0.13 atm. Long-duration post anneals of silver-clad Bi-2223 filaments at 825°C and an oxygen partial pressure of 0.075 atm eliminated Bi-2212 intergrowths with a concomitant increase in the superconducting transition sharpness.

High crystalline Cu2ZnSnS4 semiconductor prepared from low toxicity ethanol-based precursors

NASA Astrophysics Data System (ADS)

Munir, Badrul; Prastyo, Bayu Eko; Nurjaya, Dwi Marta; Muslih, Ersan Yudhapratama; Alfauzan, Sahri Karim

2017-01-01

At this moment, we present a new, cost-effective, and environmentally friendly method of preparing a high crystalline Cu2ZnSnS4 (CZTS) absorber layer for thin film solar cells using ethanol-based solutions. Ethanolamine (ETA) and 2-mercaptopropionic acid (MPA) were studied as a stabilizer and to improve wetting ability of the precursors during the deposition process. Cu2ZnSnS4 precursors are deposited onto soda lime glass using spin coater in different molar of cations in the precursor. The effects of a precursor system, ethanol-ETA-MPA, and ethanol-MPA, on the structure, morphology, composition and optical properties of CZTS thin films have been investigated in details. X-ray diffraction and energy-dispersive X-ray spectroscopy analyses confirmed the successful fabrication of high crystalline Cu2ZnSnS4 kesterite phase. The crystallinity of CZTS is continue increasing before reaching 2.2 molar cations of the ethanol-MPA precursors. The crystallinity of ethanol-ETA-MPA precursors remains similar in the experiment using 1.2 molar and 1.6 molars. The highest crystallinity was achieved using 2 molar cations of the ethanol-MPA precursor. Its band gap energy is found to be around 1.4 eV. The SEM micrographs of CZTS film shows the average grain size around 1.5 µm and some porosity which indicated the room of improvement. The high-crystallinity CZTS achieved in the present study brings a low-cost absorber semiconductor one step closer to practical use.

Anesthetic efficacy of the intraosseous injection of 2% lidocaine (1:100,000 epinephrine) and 3% mepivacaine in mandibular first molars.

PubMed

Replogle, K; Reader, A; Nist, R; Beck, M; Weaver, J; Meyers, W J

1997-01-01

This study compared the anesthetic efficacy of a primary intraosseous injection of 2% lidocaine with 1:100,000 epinephrine and 3% mepivacaine in human mandibular first molars. Injection pain and healing postoperatively were also assessed for the intraosseous injection. With the use of a repeated-measures design, 42 subjects randomly received intraosseous injections of 1.8 ml of 2% lidocaine with 1:100,000 epinephrine or 1.8 ml of 3% mepivacaine in a double-blind manner at two successive appointments. The first molar and adjacent teeth were blindly tested with an electric pulp tester at 2-minute cycles for 60 minutes. Anesthetic success was defined as no subject response to the maximum output of the pulp tester (80 reading) for two consecutive readings. Anesthetic success occurred in 74% of the first molars with 2% lidocaine with 1:100,000 epinephrine and in 45% with 3% mepivacaine. The difference was statistically significant (p < 0.05). Overall, onset was rapid for the intraosseous injections, the duration of pulpal anesthesia steadily declined over the 60 minutes, the majority of the subjects had no pain or mild pain with perforation and solution deposition, and 5% of the subjects had delayed healing at the perforation sites. The results of this study indicate that the primary intraosseous injection of 2% lidocaine with 1:100,000 epinephrine is more successful and results in a longer duration of pulpal anesthesia as compared with 3% mepivacaine in noninflamed mandibular first molars. Most subjects reported no or mild pain during perforation and injection.

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]).

PubMed

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. Sci. 2008, 322, 28].

A Device to Demonstrate the Principles of Photometry and Three Experiments for Its Use.

ERIC Educational Resources Information Center

Delumyea, R. Del

1987-01-01

Describes how to construct a simple photometer. Outlines experiments in which this device can be used to demonstrate basic electronic principles, the use of Beer's Law to determine the concentration of an analyte in solution, and the effect of molar absorptivity on the sensitivity of photometric procedures. (TW)

Enhancing the recovery of oilseed rape seed oil bodies (oleosomes) using bicarbonate-based soaking and grinding media.

PubMed

De Chirico, Simone; di Bari, Vincenzo; Foster, Tim; Gray, David

2018-02-15

An aqueous process for the recovery of oil bodies from rapeseed using sodium bicarbonate-based soaking and grinding media (pH 9.5) was investigated. The effect of the ratio between seed and mass of media during grinding and molarity of the medium used on oil body integrity, purity and storage stability have been studied. The grinding of seeds in solution at a ratio of 1:7 (w/w) significantly improved the quality of oil body suspension to a size more in-line with that seen in vivo (average D 4,3 of 1.19µm). The purity and the composition of the recovered oil bodies depends on the molarity of medium used; the use of a sodium bicarbonate solution (pH 9.5, 0.1M) in the grinding and washing steps produced oil body preparations with the same purity as that resulting from washing a crude preparation with 9M urea. The resultant emulsion had improved physical stability over a storage period of one month. Copyright © 2017. Published by Elsevier Ltd.

Electrical conductivity of electrolytes applicable to natural waters from 0 to 100 degrees C

USGS Publications Warehouse

McCleskey, R. Blaine

2011-01-01

The electrical conductivities of 34 electrolyte solutions found in natural waters ranging from (10-4 to 1) mol•kg-1 in concentration and from (5 to 90) °C have been determined. High-quality electrical conductivity data for numerous electrolytes exist in the scientific literature, but the data do not span the concentration or temperature ranges of many electrolytes in natural waters. Methods for calculating the electrical conductivities of natural waters have incorporated these data from the literature, and as a result these methods cannot be used to reliably calculate the electrical conductivity over a large enough range of temperature and concentration. For the single-electrolyte solutions, empirical equations were developed that relate electrical conductivity to temperature and molality. For the 942 molar conductivity determinations for single electrolytes from this study, the mean relative difference between the calculated and measured values was 0.1 %. The calculated molar conductivity was compared to literature data, and the mean relative difference for 1978 measurements was 0.2 %. These data provide an improved basis for calculating electrical conductivity for most natural waters.

Povidone-iodine: an anti-oedematous agent?

PubMed

Arakeri, Gururaj; Brennan, Peter A

2011-02-01

Polyvinylpyrrolidone-iodine (PVP-I) is a well-known antiseptic, widely used in various preparations and concentrations in all surgical fields. It is also used as an irrigant for open wounds and in some centres for irrigating sockets after tooth extraction. One of the authors (GA) incidentally discovered an anti-oedematous effect of PVP-I after using it in low concentration as an irrigant/coolant during the surgical removal of lower third molars. A prospective randomized clinical trial was subsequently performed on 50 patients (25 control, 25 treatment group) undergoing removal of impacted lower third molars. In the treatment group a 0.5% PVP-I solution at a concentration of 0.5mg/ml (we call it as "Arakeri's iodine solution") resulted in a significant reduction in postoperative swelling compared with the control group (P<0.01). This effect of PVP-I was suspected due to its inhibitory effect on leukotriene B4 and leukocyte extravasation (chemotaxis). Further evaluation of the effects of PVP-I as an irrigant in oral and maxillofacial surgery is needed. Copyright © 2010 International Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

Dielectric and physiochemical study of binary mixture of nitrobenzene with toluene

NASA Astrophysics Data System (ADS)

Mohod, Ajay G.; Deshmukh, S. D.; Pattebahadur, K. L.; Undre, P. B.; Patil, S. S.; Khirade, P. W.

2018-05-01

This paper presents the study of binary mixture of Nitrobenzene (NB) with Toluene (TOL) for eleven different concentrations at room temperature. The determined Dielectric Constant (ɛ0) Density (ρ) and Refractive index (nD) values of binary mixture are used to calculate the excess properties i.e. Excess Dielectric Constant (ɛ0E), Excess Molar Volume (VmE), Excess Refractive Index (nDE) and Excess Molar Refraction (RmE) of mixture over the entire composition range and fitted to the Redlich-Kister equation. The Kirkwood Correlation Factor (geff) and other parameters were used to discuss the information about the orientation of dipoles and the solute-solvent interaction of binary mixture at molecular level over the entire range of concentration.

[The clinical effect of root amputation in the treatment of periodontal/alveolar abscess].

PubMed

Tan, Baochun; Wu, Wenlei; Sun, Weibin; Xiao, Jianping

2012-06-01

To study the clinical effect of root amputation in the treatment of periodontal/alveolar abscess teeth with one severe lesion root. 30 periodontal/alveolar abscess teeth with one severe lesion root were chosen in the study. After root canal treatment, supragingival scaling, subgingival scaling and root planning, occlusal adjustment were done. Then the teeth were treated by root amputation. The clinical effect was evaluated 3 months, 6 months and 1 year after surgery. One year after surgery, 27 of 30 teeth were successful, 1 mandibular molar occurred root fracture, 1 mandibular molar was removed because of tooth loosening secondary to periodontal damage. 1 patient lost. Root amputation is an effective solution of periodontal/alveolar abscess.

Lump solutions to nonlinear partial differential equations via Hirota bilinear forms

NASA Astrophysics Data System (ADS)

Ma, Wen-Xiu; Zhou, Yuan

2018-02-01

Lump solutions are analytical rational function solutions localized in all directions in space. We analyze a class of lump solutions, generated from quadratic functions, to nonlinear partial differential equations. The basis of success is the Hirota bilinear formulation and the primary object is the class of positive multivariate quadratic functions. A complete determination of quadratic functions positive in space and time is given, and positive quadratic functions are characterized as sums of squares of linear functions. Necessary and sufficient conditions for positive quadratic functions to solve Hirota bilinear equations are presented, and such polynomial solutions yield lump solutions to nonlinear partial differential equations under the dependent variable transformations u = 2(ln ⁡ f) x and u = 2(ln ⁡ f) xx, where x is one spatial variable. Applications are made for a few generalized KP and BKP equations.

Computer simulation of the carbon activity in austenite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murch, G.E.; Thorn, R.J.

1979-02-01

Carbon activity in austenite is described in terms of an Ising-like f.c.c. lattice gas model in which carbon interstitials repel only at the distance of nearest neighbors. A Monte Carlo simulation method in the petit canonical ensemble is employed to calculate directly the carbon activity as a function of composition and temperature. The computed activities are in satisfactory agreement with the experimental data, similarly for the decompostion of the activity to the partial molar enthalpy and entropy.

Intermolecular interactions in aqueous solutions of gallic acid at 296-306 K according to spectrofluorimetry and densimetry data

NASA Astrophysics Data System (ADS)

Grigoryan, K. R.; Sargsyan, L. S.

2015-12-01

Features of intermolecular interactions in aqueous solutions of gallic acid (GA) are studied by means of densimetry and fluorescence spectroscopy (intrinsic fluorescence, 2D spectra, and excitation/ emission matrix fluorescence spectra, 3D) at 296.15, 301.15, and 306.15 K in the concentration range of 5.88 × 10-4-5.88 × 10-2 mol L-1. It is shown by analyzing the concentration and temperature dependences of the apparent molar volumes and fluorescence parameters of GA that the equilibrium between nonassociated and associated species in the solution and the hydration of these species undergo changes.

Adaptive Grid Generation for Numerical Solution of Partial Differential Equations.

DTIC Science & Technology

1983-12-01

numerical solution of fluid dynamics problems is presented. However, the method is applicable to the numer- ical evaluation of any partial differential...emphasis is being placed on numerical solution of the governing differential equations by finite difference methods . In the past two decades, considerable...original equations presented in that paper. The solution of the second problem is more difficult. 2 The method of Thompson et al. provides control for

Anesthetic efficacy and heart rate effects of the intraosseous injection of 1.5% etidocaine (1:200,000 epinephrine) after an inferior alveolar nerve block.

PubMed

Stabile, P; Reader, A; Gallatin, E; Beck, M; Weaver, J

2000-04-01

The purpose of this study was to determine the anesthetic efficacy and heart rate effects of an intraosseous (IO) injection of 1.5% etidocaine with 1:200,000 epinephrine after an inferior alveolar nerve block. In a repeated-measures designed study, 48 subjects randomly received 2 combinations of injections at 2 separate appointments. The combinations were an inferior alveolar nerve (IAN) block (with 3% mepivacaine) + IO injection with 1.8 mL of 1.5% etidocaine hydrochloride containing 1:200,000 epinephrine, and an IAN + mock IO injection. The first molar was blindly tested with a pulp tester at 2-minute cycles for 60 minutes after the injection. Anesthesia was considered successful when 2 consecutive 80 readings (no subject response) were obtained. Heart rate (pulse rate) was measured with a pulse oximeter. Lip numbness occurred in 100% of the subjects with both the techniques. For the first molar, anesthetic success for the IAN + mock IO and the IAN + IO etidocaine hydrochloride groups, respectively, were 81% and 100%. The differences were significant (P <.05) when the IAN + IO etidocaine hydrochloride technique was compared with the IAN + mock IO. A mean increase in heart rate of 32 beats/min occurred in 90% of the subjects with the IO injection of the etidocaine hydrochloride solution. In 89% of these subjects, the heart rate returned to within 5 beats of baseline values 4 minutes or less after solution deposition. The IO injection of 1.8 mL of 1.5% etidocaine hydrochloride with 1:200,000 epinephrine, when used to augment an inferior alveolar nerve block, significantly increased anesthetic success in the first molar. The majority of subjects receiving the IO injection of the etidocaine hydrochloride solution had a transient increase in heart rate.

Solubility of oxygen in a seawater medium in equilibrium with a high-pressure oxy-helium atmosphere.

PubMed

Taylor, C D

1979-06-01

The molar oxygen concentration in a seawater medium in equilibrium with a high-pressure oxygen-helium atmosphere was measured directly in pressurized subsamples, using a modified version of the Winkler oxygen analysis. At a partial pressure of oxygen of 1 atm or less, its concentration in the aqueous phase was adequately described by Henry's Law at total pressures up to 600 atm. This phenomenon, which permits a straightforward determination of dissolved oxygen within hyperbaric systems, resulted from pressure-induced compensatory alterations in the Henry's Law variables rather than from a true obedience to the Ideal Gas Law. If the partial pressure of a gas contributes significantly to the hydrostatic pressure, Henry's Law is no longer adequate for determining its solubility within the compressed medium.

Investigation on molecular interactions of binary mixtures of isobutanol with 1-alkanols (C1 - C6) at different temperatures. Application of the Peng-Robinson-Stryjek-Vera (PSRV) equation of state (EOS)

NASA Astrophysics Data System (ADS)

Khanlarzadeh, K.; Iloukhani, H.; Soleimani, M.

2017-07-01

Densities were measured for binary mixtures of isobutanol with 1-alkanols, namely: methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol and 1-hexanol at the temperatures of (288.15, 298.15 and 308.15) K and ambient pressure. Excess molar volumes, VmE , thermal expansion coefficients α, excess thermal expansion coefficients αE, and isothermal coefficients of pressure excess molar enthalpy, (∂HmE / ∂ P) T , x , were derived from the experimental data and the computed results were fitted to the Redlich-Kister equation. The Peng-Robinson-Stryjek-Vera (PRSV) equation of state was applied, in combination with simple mixing rules to predict the excess molar volume. The VmE results were positive for the mixtures of isobutanol with methanol, ethanol, 1-propanol, 1-butanol, and negative for isobutanol with 1-pentanol and 1-hexanol over the whole composition range. The results showed very small deviations from the behavior of ideal solutions in these mixtures and were analyzed to discuss the nature and strength of intermolecular interactions.

Modification of Cellulose with Succinic Anhydride in TBAA/DMSO Mixed Solvent under Catalyst-Free Conditions

PubMed Central

Xin, Ping-Ping; Huang, Yao-Bing; Hse, Chung-Yun; Cheng, Huai N.; Huang, Chaobo; Pan, Hui

2017-01-01

Homogeneous modification of cellulose with succinic anhydride was performed using tetrabutylammonium acetate (TBAA)/dimethyl sulfoxide (DMSO) mixed solvent. The molar ratio of succinic anhydride (SA) to free hydroxyl groups in the anhydroglucose units (AGU), TBAA dosage, reaction temperature, and reaction time were investigated. The highest degree of substitution (DS) value of 1.191 was obtained in a 10 wt% TBAA/DMSO mixed solvent at 60 °C for 60 min, and the molar ratio of SA/AGU was 6/1. The molar ratio of SA/AGU and the TBAA dosage showed a significant influence on the reaction. The succinoylated cellulose was characterized by ATR-FTIR, TGA, XRD, solid state CP/MAS 13C NMR spectroscopy (CP/MAS 13C NMR), and SEM. Moreover, the modified cellulose was applied for the adsorption of Cu2+ and Cd2+, and both the DS values of modified cellulose and pH of the heavy metal ion solutions affected the adsorption capacity of succinylated cellulose. The highest capacity for Cu2+ and Cd2+ adsorption was 42.05 mg/g and 49.0 mg/g, respectively. PMID:28772885

Modification of Cellulose with Succinic Anhydride in TBAA/DMSO Mixed Solvent under Catalyst-Free Conditions.

PubMed

Xin, Ping-Ping; Huang, Yao-Bing; Hse, Chung-Yun; Cheng, Huai N; Huang, Chaobo; Pan, Hui

2017-05-12

Homogeneous modification of cellulose with succinic anhydride was performed using tetrabutylammonium acetate (TBAA)/dimethyl sulfoxide (DMSO) mixed solvent. The molar ratio of succinic anhydride (SA) to free hydroxyl groups in the anhydroglucose units (AGU), TBAA dosage, reaction temperature, and reaction time were investigated. The highest degree of substitution (DS) value of 1.191 was obtained in a 10 wt% TBAA/DMSO mixed solvent at 60 °C for 60 min, and the molar ratio of SA/AGU was 6/1. The molar ratio of SA/AGU and the TBAA dosage showed a significant influence on the reaction. The succinoylated cellulose was characterized by ATR-FTIR, TGA, XRD, solid state CP/MAS 13 C NMR spectroscopy (CP/MAS 13 C NMR), and SEM. Moreover, the modified cellulose was applied for the adsorption of Cu 2+ and Cd 2+ , and both the DS values of modified cellulose and pH of the heavy metal ion solutions affected the adsorption capacity of succinylated cellulose. The highest capacity for Cu 2+ and Cd 2+ adsorption was 42.05 mg/g and 49.0 mg/g, respectively.

A histological and micro-CT investigation in to the effect of NGF and EGF on the periodontal, alveolar bone, root and pulpal healing of replanted molars in a rat model - a pilot study

PubMed Central

2014-01-01

Background This study aims to investigate, utilising micro-computed tomography (micro-CT) and histology, whether the topical application of nerve growth factor (NGF) and/or epidermal growth factor (EGF) can enhance periodontal, alveolar bone, root and pulpal tissue regeneration while minimising the risk of pulpal necrosis, root resorption and ankylosis of replanted molars in a rat model. Methods Twelve four-week-old male Sprague-Dawley rats were divided into four groups: sham, collagen, EGF and NGF. The maxillary right first molar was elevated and replanted with or without a collagen membrane impregnated with either the growth factors EGF or NGF, or a saline solution. Four weeks after replantation, the animals were sacrificed and the posterior maxilla was assessed using histological and micro-CT analysis. The maxillary left first molar served as the control for the corresponding right first molar. Results Micro-CT analysis revealed a tendency for all replanted molars to have reduced root length, root volume, alveolar bone height and inter-radicular alveolar bone volume. It appears that the use of the collagen membrane had a negative effect while no positive effect was noted with the incorporation of EGF or NGF. Histologically, the incorporation of the collagen membrane was found to negatively affect pulpal, root, periodontal and alveolar bone healing with pulpal inflammation and hard tissue formation, extensive root resorption and alveolar bone fragmentation. The incorporation of EGF and NGF did not improve root, periodontal or alveolar bone healing. However, EGF was found to improve pulp vascularisation while NGF-improved pulpal architecture and cell organisation, although not to the level of the control group. Conclusions Results indicate a possible benefit on pulpal vascularisation and pulpal cell organisation following the incorporation of EGF and NGF, respectively, into the alveolar socket of replanted molars in the rat model. No potential benefit of EGF and NGF was detected in periodontal or root healing, while the use of a collagen membrane carrier was found to have a negative effect on the healing response. PMID:24393534

Solving vertical and horizontal well hydraulics problems analytically in Cartesian coordinates with vertical and horizontal anisotropies

NASA Astrophysics Data System (ADS)

Batu, Vedat

2012-01-01

SummaryA new generalized three-dimensional analytical solution is developed for a partially-penetrating vertical rectangular parallelepiped well screen in a confined aquifer by solving the three-dimensional transient ground water flow differential equation in x- y- z Cartesian coordinates system for drawdown by taking into account the three principal hydraulic conductivities ( Kx, Ky, and Kz) along the x- y- z coordinate directions. The fully penetrating screen case becomes equivalent to the single vertical fracture case of Gringarten and Ramey (1973). It is shown that the new solution and Gringarten and Ramey solution (1973) match very well. Similarly, it is shown that this new solution for a horizontally tiny fully penetrating parallelepiped rectangular parallelepiped screen case match very well with Theis (1935) solution. Moreover, it is also shown that the horizontally tiny partially-penetrating parallelepiped rectangular well screen case of this new solution match very well with Hantush (1964) solution. This new analytical solution can also cover a partially-penetrating horizontal well by representing its screen interval with vertically tiny rectangular parallelepiped. Also the solution takes into account both the vertical anisotropy ( azx = Kz/ Kx) as well as the horizontal anisotropy ( ayx = Ky/ Kx) and has potential application areas to analyze pumping test drawdown data from partially-penetrating vertical and horizontal wells by representing them as tiny rectangular parallelepiped as well as line sources. The solution has also potential application areas for a partially-penetrating parallelepiped rectangular vertical fracture. With this new solution, the horizontal anisotropy ( ayx = Ky/ Kx) in addition to the vertical anisotropy ( azx = Kz/ Kx) can also be determined using observed drawdown data. Most importantly, with this solution, to the knowledge of the author, it has been shown the first time in the literature that some well-known well hydraulics problems can also be solved in Cartesian coordinates with some additional advantages other than the conventional cylindrical coordinates method.

Method for extracting lanthanides and actinides from acid solutions by modification of Purex solvent

DOEpatents

Horwitz, E.P.; Kalina, D.G.

1986-03-04

A process is described for the recovery of actinide and lanthanide values from aqueous solutions with an extraction solution containing an organic extractant having the formula as shown in a diagram where [phi] is phenyl, R[sup 1] is a straight or branched alkyl or alkoxyalkyl containing from 6 to 12 carbon atoms and R[sup 2] is an alkyl containing from 3 to 6 carbon atoms and phase modifiers in a water-immiscible hydrocarbon diluent. The addition of the extractant to the Purex process extractant, tri-n-butylphosphate in normal paraffin hydrocarbon diluent, will permit the extraction of multivalent lanthanide and actinide values from 0.1 to 12.0 molar acid solutions. 6 figs.

PROCESS FOR SEPARATING AMERICIUM AND CURIUM FROM RARE EARTH ELEMENTS

DOEpatents

Baybarz, R.D.; Lloyd, M.H.

1963-02-26

This invention relates to methods of separating americium and curium values from rare earth values. In accordance with the invention americium, curium, and rare earth values are sorbed on an anion exchange resin. A major portion of the rare earth values are selectively stripped from the resin with a concentrated aqueous solution of lithium chloride, and americium, curium, and a minor portion of rare earth values are then stripped from the resin with a dilute aqueous solution of lithium chloride. The americium and curium values are further purified by increasing the concentration of lithium chloride in the solution to at least 8 molar and selectively extracting rare earth values from the resulting solution with a monoalkylphosphoric acid. (AEC)

LOW TEMPERATURE PROCESS FOR THE REMOVAL AND RECOVERY OF CHLORIDES AND NITRATES FROM AQUEOUS NITRATE SOLUTIONS

DOEpatents

Savolainen, J.E.

1963-01-29

A method is described for reducing the chloride content of a solution derived from the dissolution of a stainless steel clad nuclear fuel element with an aqua regia dissolution medium. The solutlon is adjusted to a nitric acid concentration in the range 5 to 10 M and is countercurrently contacted at room temperature with a gaseous oxide of nitrogen selected from NO, NO/sub 2/, N/sub 2/ O/sub 3/, and N/sub 2/O/sub 4/. Chlo ride is recovered from the contacted solution as nitrosyl chloride. After reduction of the chloride content, the solution is then contacted with gaseous NO to reduce the nitric acid molarity to a desired level. (AEC)

Improvement of the physicochemical properties of Co-amorphous naproxen-indomethacin by naproxen-sodium.

PubMed

Beyer, Andreas; Grohganz, Holger; Löbmann, Korbinian; Rades, Thomas; Leopold, Claudia S

2017-06-30

Improvement of the physicochemical properties of amorphous active pharmaceutical ingredients (APIs) applying the concept of co-amorphisation is a promising alternative to the use of polymer glass solutions. In co-amorphous systems, the physical stability and the dissolution rate of the involved components may be improved in comparison to the respective single amorphous phases. However, for the co-amorphous naproxen-indomethacin model system it has been reported that recrystallization could not be prevented for more than 112days regardless of the applied preparation method and blend ratio In the present study, it was thus tested if the physicochemical properties of co-amorphous naproxen-indomethacin could be optimized by incorporation of the naproxen sodium into the system. Three different co-amorphous systems in nine different molar ratios were prepared by quench-cooling: naproxen-indomethacin (NI), naproxen-sodium-naproxen-indomethacin (NSNI) and naproxen-sodium-indomethacin (NSI). The samples were analyzed by XRPD, FTIR, DSC and by intrinsic dissolution experiments to investigate the influence of naproxen-sodium on the resulting physicochemical properties of the systems. With the three systems, fully amorphous samples with single glass transition temperatures could be prepared with naproxen molar fractions up to 0.7. The NSI and NSNI systems showed up to about 40°C higher Tgs than the NI system. Furthermore, no recrystallization occurred during 270d of storage with the NSI and NSNI samples that were initially amorphous. Moreover, with the NSI system, the intrinsic dissolution rate of naproxen and indomethacin was improved by a factor of 2 compared to the unmodified NI system. In conclusion, the physical stability as well as the dissolution rate was significantly improved if partial or full exchange of naproxen by its sodium salt was performed, which may present a general optimization method to improve co-amorphous systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Successive Negative Contrast after Partial Reinforcement in the Consummatory Behavior of Rats

ERIC Educational Resources Information Center

Pellegrini, Santiago; Muzio, Ruben N.; Mustaca, Alba E.; Papini, Mauricio R.

2004-01-01

Rats given access to a 32% sucrose solution later reject a 4% solution significantly more than controls that have only received the 4% solution. In Experiment 1, this consummatory successive negative contrast (cSNC) effect was attenuated by previous exposure to 50% partial reinforcement. Furthermore, recovery from cSNC was also facilitated by…

The Effect of Si and Al Concentration Ratios on the Removal of U(VI) under Hanford Site 200 Area Conditions-12115

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katsenovich, Yelena; Gonzalez, Nathan; Moreno-Pastor, Carol

2012-07-01

Injection of reactive gases, such as NH{sub 3}, is an innovative technique to mitigate uranium contamination in soil for a vadose zone (VZ) contaminated with radionuclides. A series of experiments were conducted to examine the effect of the concentration ratio of silicon to aluminum in the presence of various bicarbonate concentrations on the coprecipitation process of U(VI). The concentration of Al in all tests remained unchanged at 2.8 mM. Experiments showed that the removal efficiency of uranium was not significantly affected by the different bicarbonate and U(VI) concentrations tested. For the lower Si:Al molar ratios of 2:1 and 18:1, themore » removal efficiency of uranium was relatively low (≤ 8%). For the Si:Al molar ratio of 35:1, the removal efficiency of uranium was increased to an average of ∼82% for all bicarbonate concentrations tested. At higher Si:Al molar ratios (53:1 and above), a relatively high removal efficiency of U(VI), approximately 85% and higher, was observed. These results demonstrate that the U(VI) removal efficiency is more affected by the Si:Al molar ratio than by the bicarbonate concentration in solution. The results of this experiment are promising for the potential implementation of NH{sub 3} gas injection for the remediation of U(VI) -contaminated VZ. (authors)« less

Problems of comparing blood glucose molality and molarity determined with an Omni, an EML 105 and an Ebio analyser.

PubMed

Haeckel, Rainer; Hänecke, Petra

2003-07-01

The comparability between glucose concentrations measured in various sample systems is still a matter of debate. Decision limits are usually determined in venous plasma and then converted to either blood or to the aqueous compartment (activity). The conversion factors recommended have not yet been generally accepted. In the present study, glucose concentrations were determined in blood and plasma with an Ebio analyser (molarity) and in the aqueous compartment with both an EML 105 and an Omni (molality). All analytical results were referred to the same aqueous standard solution. The Ebio results agreed with reference method values in control materials. Concentrations determined in the various sample systems from patients (molarity) correlated well with the molality values measured either with the EML or the Omni. However, the mean values of the EML were not consistent with those derived theoretically by considering the different water content. With the Omni, only molality values in whole blood appeared plausible, but not in plasma, although the two sample systems should provide identical molality values. The EML results were almost identical in whole blood and plasma. Theoretically, glucose molality would be the ideal diagnostic quantity. However, no diagnostic advantage of molality determined in whole blood with the Omni vs. molarity values could be detected in a group of 40 non-diabetic and 27 diabetic subjects.

Asymmetrical design for non-relaxed near-UV AlGaN/GaN distributed Bragg reflectors

NASA Astrophysics Data System (ADS)

Moudakir, T.; Abid, M.; Doan, B.-T.; Demarly, E.; Gautier, S.; Orsal, G.; Jacquet, J.; Ougazzaden, A.; Genty, F.

2010-10-01

Towards the development of high efficient GaN-based Vertical Cavity devices, the fabrication of cracks-free high reflective semiconductor mirrors is still an issue. For near-UV operating devices, one of the best solution is the use of AlGaN/GaN materials family. With a relatively high Al molar fraction in AlGaN, a large enough index contrast can be achieved to fabricate high reflectivity mirrors. However, the lattice mismatch between AlGaN and GaN increases with the Al molar fraction and induces a lot of cracks in the structure which affect its optical and electrical properties. Moreover, for a regrowth of an active layer on the top of the mirror, it is necessary to suppress crack generations to achieve a smooth surface. In this work, asymmetrical designs were investigated for the modeling of fully-strained AlGaN/GaN distributed Bragg Reflectors with crack-free surfaces. First, the critical thickness of MOVPE-grown AlGaN on GaN-on-sapphire templates was experimentally determined and modeled. Then, several AlGaN/GaN mirrors with various Al molar fractions and asymmetry factors were simulated demonstrating that non relaxed DBRs could be obtained with adequate parameters. Finally, it has also been shown that there is a best suited Al molar fraction in AlGaN for each DBR centering wavelength.

Effectiveness of Morinda citrifolia juice as an intracanal irrigant in deciduous molars: An in vivo study

PubMed Central

Chandwani, Manisha; Mittal, Rakesh; Chandak, Shweta; Pimpale, Jitesh

2017-01-01

Background: The purpose of this study was to evaluate the microbial reduction in deciduous molars using Morinda citrifolia juice (MCJ) as irrigating solution. Materials and Methods: This was a randomized comparative study including 60 deciduous molars chosen among the patients belonging to the age group of 6–9 years based on the inclusion or exclusion criteria. The selected teeth were divided randomly into two groups based on irrigation solution used, that was, Group I (1% NaOCl) and Group II (MCJ). The microbial samples were collected both pre- and post-irrigation and were transferred for microbial assay. Paired t-test was used for intragroup analysis of pre- and post-operative mean reduction of bacterial colony forming unit (CFU)/ml, whereas Independent t-test was used to assess the intergroup, pre- and post-operative mean reduction of bacterial CFU/ml. Results: In the intragroup comparison, both of the groups showed statistically significant (P < 0.001) reduction in the mean CFU/ml; however, it did not show statistically significant reduction when intergroup comparison was carried out between the two groups. Both the study materials had clinically revealed decrease in the microbial count postirrigation. Conclusion: Both the irrigants, 1% NaOCl and MCJ, were significantly effective in the reduction of mean CFUs/ml postoperatively. The results of this study have confirmed the antibacterial effectiveness of MCJ in the root canals of deciduous teeth. Considering the low toxicity and antibacterial effectiveness of MCJ, it can be advocated as a root canal irrigant in endodontic treatment of primary teeth. PMID:28928778

Standardized method to produce tetracycline-stained human molar teeth in vitro.

PubMed

Chan, Daniel C N; Rozier, Gregory Shayne; Steen, Angela; Browning, William D; Mozaffari, Mahmood S

2006-09-01

This study tested the hypothesis that exposure of human molar teeth to tetracycline (TCN) derivatives in vitro results in tooth discoloration resembling the clinical presentation of TCN staining. The effects of exposure of 20 extracted human molar teeth to distilled water, chlortetracycline, doxycycline, or minocycline were compared. The baseline color of each tooth was analyzed with a dental spectrophotometer. The pulp chambers were each filled with a TCN derivative solution and then sealed. The teeth were placed in a centrifuge tube and then centrifuged at 2800 rpm for 20 minutes. Color change was monitored weekly for 7 weeks. Digital images of the surfaces were recorded. For each specimen at every evaluation period, color change from baseline was calculated using Commission Internationale d'Eclairage (CIE) Delta E 2000 (deltae00). There was a significant association between the type of derivative used and deltae00, as well as between the evaluation period and deltae00. There was also a significant association between the interaction term, derivative x evaluation period, and deltae00. Results of the Holm-Sidak post hoc test demonstrated that all 3 TCN derivatives were associated with significantly larger deltae00 than the control group (P < or = .05). All 3 TCN derivative solutions produced significant color changes as time progressed. Different TCN derivatives produced a different L* (lightness), C* (chroma), and H* (hue), with minocycline behaving distinctly differently from chlortetracycline and doxycycline. The model could be used to study the underlying mechanisms of TCN staining as well as many aspects of vital tooth

Performance of magnetic zirconium-iron oxide nanoparticle in the removal of phosphate from aqueous solution

NASA Astrophysics Data System (ADS)

Zhang, Chang; Li, Yongqiu; Wang, Fenghua; Yu, Zhigang; Wei, Jingjing; Yang, Zhongzhu; Ma, Chi; Li, Zihao; Xu, ZiYi; Zeng, Guangming

2017-02-01

In this study, magnetic zirconium-iron oxide nanoparticles (MZION) of different Fe/Zr molar ratios were successfully prepared using the co-precipitation method, and their performance for phosphate removal was systematically evaluated. The as-obtained adsorbents were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Zeta potential analyzer, Fourier transform infrared spectroscopy (FT-IR) and Brunauer Emmett Teller (BET) specific surface area analysis. The effects of pH, ionic strength, and co-existing ions (including Cl-, SO42-, NO3- and HCO3-) were measured to evaluate the adsorption performance in batch experiments. The results showed that decreasing the Fe/Zr molar ratios increased the specific surface area that was propitious to adsorption process, but the adsorption capacity enhanced with the decrease of Fe/Zr molar ratios. Phosphate adsorption on MZION could be well described by the Freundlich equilibrium model and pseudo-second-order kinetics. The adsorption of phosphate was highly pH dependent and decreased with increasing pH from 1.5 to 10.0. The adsorption was slightly affected by ionic strength. With the exception of HCO3-, co-existing anions showed minimum or no effect on their adsorption performance. After adsorption, phosphate on these MZION could be easily desorbed by 0.1 M NaOH solution. The phosphate adsorption mechanism of MZION followed the inner-sphere complexing mechanism, and the surface sbnd OH groups played a significant role in the phosphate adsorption. Additionally, the main advantages of MZION consisted in its separation convenience and highly adsorption capacity compared to other adsorbents.

The distribution and ultrastructure of the forming blood capillaries and the effect of apoptosis on vascularization in mouse embryonic molar mesenchyme.

PubMed

Yuan, Guohua; Zhang, Li; Yang, Guobin; Yang, Jingwen; Wan, Chunyan; Zhang, Lu; Song, Guangtai; Chen, Shuo; Chen, Zhi

2014-04-01

Vascularization is essential for organ and tissue development. Teeth develop through interactions between epithelium and mesenchyme. The developing capillaries in the enamel organ, the dental epithelial structure, occur simultaneously by mechanisms of vasculogenesis and angiogenesis at the onset of dentinogenesis. The vascular neoformation in the dental mesenchyme has been reported to start from the cap stage. However, the mechanisms of vascularization in the dental mesenchyme remain unknown. In the hope of understanding the mechanisms of the formation of dental mesenchymal vasculature, mouse lower molar germs from embryonic day (E) 13.5 to E16.5 were processed for immunostaining of CD31 and CD34, terminal deoxynucleotidyltransferase-mediated dUTP-biotin nick end labeling (TUNEL) and transmission electron microscopy (TEM). In addition, the role of apoptosis for the vascularization in dental mesenchyme was examined by in vitro culture of E14.0 lower molars in the presence of the apoptosis inhibitor (z-VAD-fmk) and a subsequent subrenal culture. Our results showed that CD31- and CD34-positive cells progressively entered the central part of the dental papilla from the peridental mesenchyme. For TEM, angioblasts, young capillaries with thick endothelium and endothelial cells containing vacuoles were observed in peripheral dental mesenchyme, suggesting vasculogenesis was taking place. The presence of lateral sprouting, cytoplasmic filopodia and transluminal bridges in the dental papilla suggested angiogenesis was also occurring. Inhibition of apoptosis delayed the angiogenic vascularization of the dental papilla. Therefore, these data demonstrated that molar mesenchyme is progressively vascularized by mechanisms of both vasculogenesis and angiogenesis and apoptosis partially contributes to the vascularization of the dental papilla.

Analysis of C-shaped canal systems in mandibular second molars using surgical operating microscope and cone beam computed tomography: A clinical approach.

PubMed

Chhabra, Sanjay; Yadav, Seema; Talwar, Sangeeta

2014-05-01

The study was aimed to acquire better understanding of C-shaped canal systems in mandibular second molar teeth through a clinical approach using sophisticated techniques such as surgical operating microscope and cone beam computed tomography (CBCT). A total of 42 extracted mandibular second molar teeth with fused roots and longitudinal grooves were collected randomly from native Indian population. Pulp chamber floors of all specimens were examined under surgical operating microscope and classified into four types (Min's method). Subsequently, samples were subjected to CBCT scan after insertion of K-files size #10 or 15 into each canal orifice and evaluated using the cross-sectional and 3-dimensional images in consultation with dental radiologist so as to obtain more accurate results. Minimum distance between the external root surface on the groove and initial file placed in the canal was also measured at different levels and statistically analyzed. Out of 42 teeth, maximum number of samples (15) belonged to Type-II category. A total of 100 files were inserted in 86 orifices of various types of specimens. Evaluation of the CBCT scan images of the teeth revealed that a total of 21 canals were missing completely or partially at different levels. The mean values for the minimum thickness were highest at coronal followed by middle and apical third levels in all the categories. Lowest values were obtained for teeth with Type-III category at all three levels. The present study revealed anatomical variations of C-shaped canal system in mandibular second molars. The prognosis of such complex canal anatomies can be improved by simultaneous employment of modern techniques such as surgical operating microscope and CBCT.

Rapid orthodontic treatment after the ridge-splitting technique--a combined surgical-orthodontic approach for implant site development: case report.

PubMed

Amato, Francesco; Mirabella, A Davide; Borlizzi, Diego

2012-08-01

This article presents a clinical case of bilateral partial edentulism in the posterior mandible with severe horizontal and moderate vertical bone atrophy. A new technique using rapid orthodontics after ridge splitting is presented. The split-crest technique was carried out using piezosurgical instruments in the first molar and second premolar areas to widen the bone crest and open a channel for tooth movement. Immediately after, orthodontic appliances were used to move the first premolars distally and the second molars mesially into the surgical site. The rationale was to facilitate and accelerate orthodontic movement of the teeth, which is otherwise difficult in a cortical knife-edged ridge. The bone defect was filled with the alveolar bone of the adjacent teeth that were moved into the surgically opened path. Adequate bone volume for implant placement was generated in the first premolar area. Implants were then inserted, and the patient was rehabilitated.

Fabrication of fixed implant prostheses using function bite impression technique (FBI technique).

PubMed

Suzuki, Yasunori; Shimpo, Hidemasa; Ohkubo, Chikahiro; Kurtz, Kenneth S

2012-10-01

The patient was partially edentulous, lacking both the first mandibular molars. The FBI and the conventional impression technique were used for the fabrication of implant-fixed prosthesis replacing the right and left molars, respectively. In the FBI technique, the definitive impression was made under occlusal force and functionally generated path (FGP) recording at the same time. The right and left occlusal contact areas were compared after completing the implant-fixed prosthesis rehabilitation. It has been suggested that accuracy of the impression and maxillomandibular registration is necessary to ensure a satisfactory long-term clinical outcome. The transfer of the exact position of the implants to the working cast is even more important because implants lack the mobility of natural teeth. There are displacement differences between implants and natural teeth under occlusal force. The FBI technique may compensate for this difference in accuracy. Using the FBI technique, a precise prosthesis could be produced by completing simultaneously the maxillomandibular registration, impression and FGP. Copyright © 2012 Japan Prosthodontic Society. All rights reserved.

Study of coupled nonlinear partial differential equations for finding exact analytical solutions.

PubMed

Khan, Kamruzzaman; Akbar, M Ali; Koppelaar, H

2015-07-01

Exact solutions of nonlinear partial differential equations (NPDEs) are obtained via the enhanced (G'/G)-expansion method. The method is subsequently applied to find exact solutions of the Drinfel'd-Sokolov-Wilson (DSW) equation and the (2+1)-dimensional Painlevé integrable Burgers (PIB) equation. The efficiency of this method for finding these exact solutions is demonstrated. The method is effective and applicable for many other NPDEs in mathematical physics.

Approximate Solutions for Flow with a Stretching Boundary due to Partial Slip

PubMed Central

Filobello-Nino, U.; Vazquez-Leal, H.; Sarmiento-Reyes, A.; Benhammouda, B.; Jimenez-Fernandez, V. M.; Pereyra-Diaz, D.; Perez-Sesma, A.; Cervantes-Perez, J.; Huerta-Chua, J.; Sanchez-Orea, J.; Contreras-Hernandez, A. D.

2014-01-01

The homotopy perturbation method (HPM) is coupled with versions of Laplace-Padé and Padé methods to provide an approximate solution to the nonlinear differential equation that describes the behaviour of a flow with a stretching flat boundary due to partial slip. Comparing results between approximate and numerical solutions, we concluded that our results are capable of providing an accurate solution and are extremely efficient. PMID:27433526

Invariant and partially-invariant solutions of the equations describing a non-stationary and isentropic flow for an ideal and compressible fluid in (3 + 1) dimensions

NASA Astrophysics Data System (ADS)

Grundland, A. M.; Lalague, L.

1996-04-01

This paper presents a new method of constructing, certain classes of solutions of a system of partial differential equations (PDEs) describing the non-stationary and isentropic flow for an ideal compressible fluid. A generalization of the symmetry reduction method to the case of partially-invariant solutions (PISs) has been formulated. We present a new algorithm for constructing PISs and discuss in detail the necessary conditions for the existence of non-reducible PISs. All these solutions have the defect structure 0305-4470/29/8/019/img1 and are computed from four-dimensional symmetric subalgebras. These theoretical considerations are illustrated by several examples. Finally, some new classes of invariant solutions obtained by the symmetry reduction method are included. These solutions represent central, conical, rational, spherical, cylindrical and non-scattering double waves.

Analytical Solution for Flow to a Partially Penetrating Well with Storage in a Confined Aquifer

NASA Astrophysics Data System (ADS)

Vesselinov, V. V.; Mishra, P. K.; Neuman, S. P.

2009-12-01

Analytical solutions for radial flow toward a pumping well are commonly applied to analyze pumping tests conducted in confined aquifers. However, the existing analytical solutions are not capable to simultaneously take into account aquifer anisotropy, partial penetration, and wellbore storage capacity of pumping well. Ignoring these effects may have important impact on the estimated aquifer properties. We present a new analytical solution for three-dimensional, axially symmetric flow to a pumping well in confined aquifer that accouts for aquifer anisotropy, partial penetration and wellbore storage capacity of pumping well. Our analytical reduces to that of Papadopulos et.al. [1967] when the pumping well is fully penetrating, Hantush [1964] when the pumping well has no wellbore storage, and Theis [1935] when both conditions are fulfilled. The solution is evaluated through numerical inversion of its Laplace transform. We use our new solution to analyze data from synthetic and real pumping tests.

Gibbs energy of the resolvation of glycylglycine and its anion in aqueous solutions of dimethylsulfoxide at 298.15 K

NASA Astrophysics Data System (ADS)

Naumov, V. V.; Isaeva, V. A.; Kuzina, E. N.; Sharnin, V. A.

2012-12-01

Gibbs energies for the transfer of glycylglycine and glycylglycinate ions from water to water-dimethylsulfoxide solvents are determined from the interface distribution of substances between immiscible phases in the composition range of 0.00 to 0.20 molar fractions of DMSO at 298.15 K. It is shown that with a rise in the concentration of nonaqueous components in solution, we observe the solvation of dipeptide and its anion, due mainly to the destabilization of the carboxyl group.

Chromium(VI) Removal from Aqueous Solution by Magnetite Coated by a Polymeric Ionic Liquid-Based Adsorbent

PubMed Central

Ferreira, Thania Alexandra; Rodriguez, Jose Antonio; Paez-Hernandez, María Elena; Guevara-Lara, Alfredo; Barrado, Enrique; Hernandez, Prisciliano

2017-01-01

An evaluation of the chromium(VI) adsorption capacity of four magnetite sorbents coated with a polymer phase containing polymethacrylic acid or polyallyl-3-methylimidazolium is presented. Factors that influence the chromium(VI) removal such as solution pH and contact time were investigated in batch experiments and in stirred tank reactor mode. Affinity and rate constants increased with the molar ratio of the imidazolium. The highest adsorption was obtained at pH 2.0 due to the contribution of electrostatic interactions. PMID:28772865

Thermodynamics of the complex formation of copper(II) with L-phenylalanine in aqueous ethanol solutions

NASA Astrophysics Data System (ADS)

Burov, D. M.; Ledenkov, S. F.; Vandyshev, V. N.

2013-05-01

Constants of the acid dissociation and complexation of L-phenylalanine (HPhe) with copper(II) ions are determined by potentiometry in aqueous ethanol solutions containing 0 to 0.7 molar fraction of alcohol. Changes in the Gibbs energy for the transfer from water to a binary solvent of L-phenylalanine, Phe- anion, and [CuPhe]+ complex are calculated. It is found that the weakening of solvation of the ligand donor groups in solvents with high ethanol contents is accompanied by an increase in the stability of [CuPhe]+ complex.

Thermodynamics of the sorption of water-soluble vitamins in reverse-phase high performance liquid chromatography

NASA Astrophysics Data System (ADS)

Chirkin, V. A.; Karpov, S. I.; Selemenev, V. F.

2012-12-01

The thermodynamics of the sorption of certain water-soluble vitamins on a C18 reverse phase from water-acetonitrile solutions of different compositions is studied. The thermodynamic characteristics of the investigated chromatographic systems are calculated. The dependences of standard molar enthalpy and changes in entropy when the sorbate transfers from the bulk solution to the surface layer on the concentration of the organic component in the mobile phase are analyzed. The boundaries for applying the main retention models describing the sorption of the investigated compounds are discussed.

A New Class of Ternary Compound for Lithium-Ion Battery: from Composite to Solid Solution.

PubMed

Wang, Jiali; Wu, Hailong; Cui, Yanhua; Liu, Shengzhou; Tian, Xiaoqing; Cui, Yixiu; Liu, Xiaojiang; Yang, Yin

2018-02-14

Searching for high-performance cathode materials is a crucial task to develop advanced lithium-ion batteries (LIBs) with high-energy densities for electrical vehicles (EVs). As a promising lithium-rich material, Li 2 MnO 3 delivers high capacity over 200 mAh g -1 but suffers from poor structural stability and electronic conductivity. Replacing Mn 4+ ions by relatively larger Sn 4+ ions is regarded as a possible strategy to improve structural stability and thus cycling performance of Li 2 MnO 3 material. However, large difference in ionic radii of Mn 4+ and Sn 4+ ions leads to phase separation of Li 2 MnO 3 and Li 2 SnO 3 during high-temperature synthesis. To prepare solid-solution phase of Li 2 MnO 3 -Li 2 SnO 3 , a buffer agent of Ru 4+ , whose ionic radius is in between that of Mn 4+ and Sn 4+ ions, is introduced to assist the formation of a single solid-solution phase. The results show that the Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system evolves from mixed composite phases into a single solid-solution phase with increasing Ru content. Meanwhile, discharge capacity of this ternary system shows significantly increase at the transformation point which is ascribed to the improvement of Li + /e - transportation kinetics and anionic redox chemistry for solid-solution phase. The role of Mn/Sn molar ratio of Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system has also been studied. It is revealed that higher Sn content benefits cycling stability of the system because Sn 4+ ions with larger sizes could partially block the migration of Mn 4+ and Ru 4+ from transition metal layer to Li layer, thus suppressing structural transformation of the system from layered-to-spinel phase. These findings may enable a new route for exploring ternary or even quaternary lithium-rich cathode materials for LIBs.

Reversible Self-Assembly of Glutathione-Coated Gold Nanoparticle Clusters via pH-Tunable Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moaseri, Ehsan; Bollinger, Jonathan A.; Changalvaie, Behzad

In this study, nanoparticle (NP) clusters with diameters ranging from 20 to 100 nm are reversibly assembled from 5 nm gold (Au) primary particles coated with glutathione (GSH) in aqueous solution as a function of pH in the range of 5.4 to 3.8. As the pH is lowered, the GSH surface ligands become partially zwitterionic and form interparticle hydrogen bonds that drive the self-limited assembly of metastable clusters in <1 min. Whereas clusters up to 20 nm in size are stable against cluster–cluster aggregation for up to 1 day, clusters up to 80 nm in size can be stabilized overmore » this period via the addition of citrate to the solution in equal molarity with GSH molecules. The cluster diameter may be cycled reversibly by tuning pH to manipulate the colloidal interactions; however, modest background cluster–cluster aggregation occurs during cycling. Cluster sizes can be stabilized for at least 1 month via the addition of PEG-thiol as a grafted steric stabilizer, where PEG-grafted clusters dissociate back to starting primary NPs at pH 7 in fewer than 3 days. Whereas the presence of excess citrate has little effect on the initial size of the metastable clusters, it is necessary for both the cycling and dissociation to mediate the GSH–GSH hydrogen bonds. In conclusion, these metastable clusters exhibit significant characteristics of equilibrium self-limited assembly between primary particles and clusters on time scales where cluster–cluster aggregation is not present.« less

Reversible Self-Assembly of Glutathione-Coated Gold Nanoparticle Clusters via pH-Tunable Interactions

DOE PAGES

Moaseri, Ehsan; Bollinger, Jonathan A.; Changalvaie, Behzad; ...

2017-10-06

In this study, nanoparticle (NP) clusters with diameters ranging from 20 to 100 nm are reversibly assembled from 5 nm gold (Au) primary particles coated with glutathione (GSH) in aqueous solution as a function of pH in the range of 5.4 to 3.8. As the pH is lowered, the GSH surface ligands become partially zwitterionic and form interparticle hydrogen bonds that drive the self-limited assembly of metastable clusters in <1 min. Whereas clusters up to 20 nm in size are stable against cluster–cluster aggregation for up to 1 day, clusters up to 80 nm in size can be stabilized overmore » this period via the addition of citrate to the solution in equal molarity with GSH molecules. The cluster diameter may be cycled reversibly by tuning pH to manipulate the colloidal interactions; however, modest background cluster–cluster aggregation occurs during cycling. Cluster sizes can be stabilized for at least 1 month via the addition of PEG-thiol as a grafted steric stabilizer, where PEG-grafted clusters dissociate back to starting primary NPs at pH 7 in fewer than 3 days. Whereas the presence of excess citrate has little effect on the initial size of the metastable clusters, it is necessary for both the cycling and dissociation to mediate the GSH–GSH hydrogen bonds. In conclusion, these metastable clusters exhibit significant characteristics of equilibrium self-limited assembly between primary particles and clusters on time scales where cluster–cluster aggregation is not present.« less

The Development and Application of Novel Methods for the Solution of EMP Shielding Problems.

DTIC Science & Technology

1981-02-01

chiralit\\ into chemistr , and originated the branch of chemistr \\ on a molar scale in, for example. snails, flowers, and we no% call stereochemistr\\ More... Chemistr %. Nobel L ecture (Dec 12. 1915). als in Les Prix Nobel timprimenec Ro.Nalc P A Norstedi & denotes that the strand in position I crosses in front

A comparison of physicochemical methods for the remediation of porous medium systems contaminated with tar

NASA Astrophysics Data System (ADS)

Hauswirth, Scott C.; Miller, Cass T.

2014-10-01

The remediation of former manufactured gas plant (FMGP) sites contaminated with tar DNAPLs (dense non-aqueous phase liquids) presents a significant challenge. The tars are viscous mixtures of thousands of individual compounds, including known and suspected carcinogens. This work investigates the use of combinations of mobilization, solubilization, and chemical oxidation approaches to remove and degrade tars and tar components in porous medium systems. Column experiments were conducted using several flushing solutions, including an alkaline-polymer (AP) solution containing NaOH and xanthan gum (XG), a surfactant-polymer (SP) solution containing Triton X-100 surfactant (TX100) and XG, an alkaline-surfactant-polymer (ASP) solution containing NaOH, TX100, and XG, and base-activated sodium persulfate both with and without added TX100. The effectiveness of the flushing solutions was assessed based on both removal of polycyclic aromatic hydrocarbon (PAH) mass and on the reduction of dissolved-phase PAH concentrations. SP flushes of 6.6 to 20.9 PV removed over 99% of residual PAH mass and reduced dissolved-phase concentrations by up to two orders of magnitude. ASP flushing efficiently removed 95-96% of residual PAH mass within about 2 PV, and significantly reduced dissolved-phase concentrations of several low molar mass compounds, including naphthalene, acenaphthene, fluorene, and phenanthrene. AP flushing removed a large portion of the residual tar (77%), but was considerably less effective than SP and ASP in terms of the effect on dissolved PAH concentrations. Persulfate was shown to oxidize tar components, primarily those with low molar mass, however, the overall degradation was relatively low (30-50% in columns with low initial tar saturations), and the impact on dissolved-phase concentrations was minimal.

A fundamental study of the impact of pressure on the adsorption mechanism in reversed-phase liquid chromatography.

PubMed

Åsberg, Dennis; Samuelsson, Jörgen; Fornstedt, Torgny

2016-07-29

A fundamental investigation of the pressure effect on individual adsorption sites was undertaken based on adsorption energy distribution and adsorption isotherm measurements. For this purpose, we measured adsorption equilibrium data at pressures ranging from 100 to 1000bar at constant flow and over a wide concentration range for three low-molecular-weight solutes, antipyrine, sodium 2-naphthalenesulfonate, and benzyltriethylammonium chloride, on an Eternity C18 stationary phase. The adsorption energy distribution was bimodal for all solutes, remaining clearly so at all pressures. The bi-Langmuir model best described the adsorption in these systems and two types of adsorption sites were identified, one with a low and another with a high energy of interaction. Evidence exists that the low-energy interactions occur at the interface between the mobile and stationary phases and that the high-energy interactions occur nearer the silica surface, deeper in the C18 layer. The contribution of each type of adsorption site to the retention factor was calculated and the change in solute molar volume from the mobile to stationary phase during the adsorption process was estimated for each type of site. The change in solute molar volume was 2-4 times larger at the high-energy site, likely because of the greater loss of solute solvation layer when penetrating deeper into the C18 layer. The association equilibrium constant increased with increasing pressure while the saturation capacity of the low-energy site remained almost unchanged. The observed increase in saturation capacity for the high-energy site did not affect the column loading capacity, which was almost identical at 50- and 950-bar pressure drops over the column. Copyright © 2016 Elsevier B.V. All rights reserved.

76 FR 25310 - Notice of Intent To Grant a Partially Exclusive Patent License to videoNEXT Network Solutions, Inc.

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-04

... DEPARTMENT OF DEFENSE Department of the Army Notice of Intent To Grant a Partially Exclusive Patent License to videoNEXT Network Solutions, Inc. AGENCY: Department of the Army, DoD. ACTION: Notice... notice of its intent to grant to videoNEXT Network Solutions, Inc., a corporation having its principle...

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

PubMed

Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

2015-04-30

The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

Development of isothermal-isobaric replica-permutation method for molecular dynamics and Monte Carlo simulations and its application to reveal temperature and pressure dependence of folded, misfolded, and unfolded states of chignolin

NASA Astrophysics Data System (ADS)

Yamauchi, Masataka; Okumura, Hisashi

2017-11-01

We developed a two-dimensional replica-permutation molecular dynamics method in the isothermal-isobaric ensemble. The replica-permutation method is a better alternative to the replica-exchange method. It was originally developed in the canonical ensemble. This method employs the Suwa-Todo algorithm, instead of the Metropolis algorithm, to perform permutations of temperatures and pressures among more than two replicas so that the rejection ratio can be minimized. We showed that the isothermal-isobaric replica-permutation method performs better sampling efficiency than the isothermal-isobaric replica-exchange method and infinite swapping method. We applied this method to a β-hairpin mini protein, chignolin. In this simulation, we observed not only the folded state but also the misfolded state. We calculated the temperature and pressure dependence of the fractions on the folded, misfolded, and unfolded states. Differences in partial molar enthalpy, internal energy, entropy, partial molar volume, and heat capacity were also determined and agreed well with experimental data. We observed a new phenomenon that misfolded chignolin becomes more stable under high-pressure conditions. We also revealed this mechanism of the stability as follows: TYR2 and TRP9 side chains cover the hydrogen bonds that form a β-hairpin structure. The hydrogen bonds are protected from the water molecules that approach the protein as the pressure increases.

Thermodynamic properties of calcium-bismuth alloys determined by emf measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, H; Boysen, DA; Bradwell, DJ

2012-01-15

The thermodynamic properties of Ca-Bi alloys were determined by electromotive force (emf) measurements to assess the suitability of Ca-Bi electrodes for electrochemical energy storage applications. Emf was measured at ambient pressure as a function of temperature between 723 K and 1173 K using a Ca(s)vertical bar CaF2(s)vertical bar Ca(in Bi) cell for twenty different Ca-Bi alloys spanning the entire range of composition from chi(Ca) = 0 to 1. Reported are the temperature-independent partial molar entropy and enthalpy of calcium for each Ca-Bi alloy. Also given are the measured activities of calcium, the excess partial molar Gibbs energy of bismuth estimatedmore » from the Gibbs-Duhem equation, and the integral change in Gibbs energy for each Ca-Bi alloy at 873 K, 973 K, and 1073 K. Calcium activities at 973 K were found to be nearly constant at a value a(Ca) = 1 x 10(-8) over the composition range chi(Ca) = 0.32-0.56, yielding an emf of similar to 0.77 V. Above chi(Ca) = 0.62 and coincident with Ca5Bi3 formation, the calcium activity approached unity. The Ca-Bi system was also characterized by differential scanning calorimetry over the entire range of composition. Based upon these data along with the emf measurements, a revised Ca-Bi binary phase diagram is proposed. (C) 2011 Elsevier Ltd. All rights reserved.« less

The density, compressibility and seismic velocity of hydrous melts at crustal and upper mantle conditions

NASA Astrophysics Data System (ADS)

Ueki, K.; Iwamori, H.

2015-12-01

Various processes of subduction zone magmatism, such as upward migration of partial melts and fractional crystallization depend on the density of the hydrous silicate melt. The density and the compressibility of the hydrous melt are key factors for the thermodynamic calculation of phase relation of the hydrous melt, and the geophysical inversion to predict physicochemical conditions of the melting region based on the seismic velocity. This study presents a new model for the calculations of the density of the hydrous silicate melts as a function of T, P, H2O content and melt composition. The Birch-Murnaghan equation is used for the equation of state. We compile the experimentally determined densities of various hydrous melts, and optimize the partial molar volume, compressibility, thermal expansibility and its pressure derivative, and K' of the H2O component in the silicate melt. P-T ranges of the calibration database are 0.48-4.29 GPa and 1033-2073 K. As such, this model covers the P-T ranges of the entire melting region of the subduction zone. Parameter set provided by Lange and Carmichael [1990] is used for the partial molar volume and KT value of the anhydrous silicate melt. K' of anhydrous melt is newly parameterized as a function of SiO2 content. The new model accurately reproduces the experimentally determined density variations of various hydrous melts from basalt to rhyolite. Our result shows that the hydrous melt is more compressive and less dense than the anhydrous melt; with the 5 wt% of H2O in melt, density and KT decrease by ~10% and ~30% from those of the anhydrous melt, respectively. For the application of the model, we calculated the P-wave velocity of the hydrous melt. With the 5 wt% of H2O, P-wave velocity of the silicate melt decreases by >10%. Based on the melt P-wave velocity, we demonstrate the effect of the melt H2O content on the seismic velocity of the partially molten zone of the subduction zone.

Occlusion of artificial teeth in partial dentures in the "chewing center"--first exploratory population-based evaluations.

PubMed

Kordass, B; Ruge, S; Quooss, A; Hugger, A; Mundt, T

2014-01-01

Occlusal performance is a substantial determinant of the quality of dental prosthetic restorations. In the follow-up (SHIP 1) to the Study of Health in Pomerania (SHIP), a representative population of 3300 subjects was studied in the first exploratory evaluation of the occlusion of artificial teeth in the chewing center (first molar region) of partial dentures. A digital analysis of interocclusal records of habitual intercuspation position (ICP) was performed using the Greifswald Digital Analyzing System (GEDAS), a software package that identifies contact points as transparent areas. 562 subjects (280 men aged 61.7 ± 11.9 years and 282 women aged 60.7 ± 10.7 years) had maxillary removable partial dentures (RPDs), and 619 (271 men aged 65.0 ± 11.5 years and 348 women aged 62.4 ± 10.6 years) had mandibular RPDs. Most RPDs were retained with either attachment retainers (11.7% maxilla, 11.7% mandible), cast clasps (38.4% maxilla, 40.7% mandible), telescopes with double crowns (15.7% maxilla, 19.1% mandible), or wrought wire clasps (16.4% maxilla, 8.2% mandible). Some had a combination of different retention elements. The mean number of artificial teeth was 7.8 ± 2.9 in the maxilla and 7.5 ± 3.0 in the mandible. Only the artificial teeth (first molars) in mandibular partial dentures showed differences in the frequency of occlusal contacts between groups (chi-square test). Of these, telescopic crown-retained RPDs had the highest frequency of occlusal contacts (74.4% at tooth 36 and 77.1% at tooth 46), and wrought wire-retained RPDs had the lowest (48.4% at tooth 36 and 45.2% at tooth 46). The results for RPDs with a free-end saddle were comparable and analogous; contact frequencies for those with an interdental saddle did not differ significantly. Notably, the overall frequency of occlusal contacts was greater for tooth 46 (62.9%) than for tooth 36. In conclusion, when replacing teeth in the chewing center, particularly in the mandible, telescopic crown-retained RPDs offer a distinct advantage in terms of occlusal contacts and thus provide better occlusal stability.

Melting relations in the MgO-MgSiO3 system up to 70 GPa

NASA Astrophysics Data System (ADS)

Ohnishi, Satoka; Kuwayama, Yasuhiro; Inoue, Toru

2017-06-01

Melting experiments in a binary system MgO-MgSiO3 were performed up to 70 GPa using a CO2 laser heated diamond anvil cell. The quenched samples were polished and analyzed by a dualbeam focused ion beam (FIB) and a field emission scanning electron microscope (FE-SEM), respectively. The liquidus phase and the eutectic composition were determined on the basis of textual and chemical analyses of sample cross sections. Our experimental results show that the eutectic composition is the Si/Mg molar ratio of 0.76 at 35 GPa and it decreases with increasing pressure. Above 45 GPa, it becomes relatively constant at about 0.64-0.65 Si/Mg molar ratio. Using our experimental data collected at a wide pressure range up to 70 GPa together with previous experimental data, we have constructed a thermodynamic model of the eutectic composition of the MgO-MgSiO3 system. The eutectic composition extrapolated to the pressure and temperature conditions at the base of the mantle is about 0.64 Si/Mg molar ratio. The modeled eutectic composition is quite consistent with a previous prediction from ab initio calculations (de Koker et al. in Earth Planet Sci Lett 361:58-63, 2013), suggesting that the simple assumption of a non-ideal regular solution model can well describe the melting relation of the MgO-MgSiO3 system at high pressure. Our results show that the liquidus phase changes from MgO-periclase to MgSiO3-bridgmanite at 35 GPa for the simplified pyrolite composition ( 0.7 Si/Mg molar ratio), while MgSiO3-bridgmanite is the liquidus phase at the entire lower mantle conditions for the chondritic composition ( 0.84 Si/Mg molar ratio).

Optimization of the Solution-Based Indium-Zinc Oxide/Zinc-Tin Oxide Channel Layer for Thin-Film Transistors.

PubMed

Lim, Kiwon; Choi, Pyungho; Kim, Sangsub; Kim, Hyunki; Kim, Minsoo; Lee, Jeonghyun; Hyeon, Younghwan; Koo, Kwangjun; Choi, Byoungdeog

2018-09-01

Double stacked indium-zinc oxide (IZO)/zinc-tin oxide (ZTO) active layers were employed in amorphous-oxide-semiconductor thin-film transistors (AOS TFTs). Channel layers of the TFTs were optimized by varying the molarity of ZTO back channel layers (0.05, 0.1, 0.2, 0.3 M) and the electrical properties of IZO/ZTO double stacked TFTs were compared to single IZO and ZTO TFTs with varying the molarity and molar ratio. On the basis of the results, IZO/ZTO (0.1 M) TFTs showed the excellent electrical properties of saturation mobility (13.6 cm2/V·s), on-off ratio (7×106), and subthreshold swing (0.223 V/decade) compared to ZTO (0.1 M) of 0.73 cm2/V · s, 1 × 107, 0.416 V/decade and IZO (0.04 M) of 0.10 cm2/V · s, 5 × 106, 0.60 V/decade, respectively. This may be attributed to diffusing Sn into front layer during annealing process. In addition, with varying molarity of ZTO back channel layer, from 0.1 M to 0.3 M ZTO back channel TFTs, electrical properties and positive bias stability deteriorated with increasing molarity of back channel layer because of increasing total trap states. On the other hand, 0.05 M ZTO back channel TFT had inferior electrical properties than that of 0.1 M ZTO back channel TFT. It was related to back channel effect because of having thin thickness of channel layer. Among these devices, 0.1 M ZTO back channel TFT had a lowest total trap density, outstanding electrical properties and stability. Therefore, we recommended IZO/ZTO (0.1 M) TFT as a promising channel structure for advanced display applications.

Efficacy of articaine versus lidocaine as a supplemental buccal infiltration in mandibular molars with irreversible pulpitis: a prospective, randomized, double-blind study.

PubMed

Rogers, Brandon S; Botero, Tatiana M; McDonald, Neville J; Gardner, Richard J; Peters, Mathilde C

2014-06-01

Profound pulpal anesthesia in mandibular molars with irreversible pulpitis (IP) is often difficult to obtain and often requires supplemental injections after an ineffective inferior alveolar nerve block (IANB). The purpose of this prospective, randomized, double-blind study was to compare the efficacy of 4% articaine with 2% lidocaine for supplemental buccal infiltrations (BIs) after an ineffective IANB in mandibular molars with IP. In addition, the use of articaine for IANB and intraosseous injections was investigated. One hundred emergency patients diagnosed with IP of a mandibular molar were selected and received an IANB with 4% articaine. All injections were 1.7 mL with 1:100,000 epinephrine. All patients reported profound lip numbness after IANB. Patients with ineffective IANB (positive pulpal response to cold or pain on access) randomly received 4% articaine or 2% lidocaine as a supplemental BI. Endodontic access was initiated 5 minutes after deposition of the infiltration solution. Success was defined as no pain or no more than mild pain during endodontic access and instrumentation as measured on a visual analogue scale. Seventy-four patients failed to achieve pulpal anesthesia after IANB with 4% articaine, resulting in IANB success rate of 26%. Success rates for supplemental BIs were 62% for articaine and 37% for lidocaine (P < .05). This effect was most pronounced in second molars (P < .05). Supplemental BI with articaine was significantly more effective than lidocaine. The IANB success rate of 4% articaine confirmed published data. Copyright © 2014 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

[Three-dimensional finite analysis of the stress in first mandibular molar with composite class I restoration when various mixing ratios of bases were used].

PubMed

Zhou, Lan; Yang, Jin-Bo; Liu, Dan; Liu, Zhan; Chen, Ying; Gao, Bo

2008-06-01

To analyze the possible damage to the remaining tooth and composite restorations when various mixing ratios of bases were used. Testing elastic modulus and poission's ratio of glass-ionomer Vitrebond and self-cured calcium hydroxide Dycal with mixing ratios of 1:1, 3:4, 4:3. Micro-CT was used to scan the first mandibular molar, and the three-dimensional finite element model of the first permanent mandibular molar with class I cavity was established. Analyzing the stress of tooth structure, composite and base cement under physical load when different mixing ratios of base cement were used. The elastic modulus of base cement in various mixing ratios was different, which had the statistic significance. The magnitude and location of stress in restored tooth made no differences when the mixing ratios of Vitrebond and Dycal were changed. The peak stress and spreading area in the model with Dycal was more than that with Vitrebond. Changing the best mixing ratio of base cement can partially influence the mechanistic character, but make no differences on the magnitude and location of stress in restored tooth. During the treatment of deep caries, the base cement of the elastic modulus which is proximal to the dentin and restoration should be chosen to avoid the fracture of tooth or restoration.

Solution of differential equations by application of transformation groups

NASA Technical Reports Server (NTRS)

Driskell, C. N., Jr.; Gallaher, L. J.; Martin, R. H., Jr.

1968-01-01

Report applies transformation groups to the solution of systems of ordinary differential equations and partial differential equations. Lies theorem finds an integrating factor for appropriate invariance group or groups can be found and can be extended to partial differential equations.

Computation of partially invariant solutions for the Einstein Walker manifolds' identifying equations

NASA Astrophysics Data System (ADS)

Nadjafikhah, Mehdi; Jafari, Mehdi

2013-12-01

In this paper, partially invariant solutions (PISs) method is applied in order to obtain new four-dimensional Einstein Walker manifolds. This method is based on subgroup classification for the symmetry group of partial differential equations (PDEs) and can be regarded as the generalization of the similarity reduction method. For this purpose, those cases of PISs which have the defect structure δ=1 and are resulted from two-dimensional subalgebras are considered in the present paper. Also it is shown that the obtained PISs are distinct from the invariant solutions that obtained by similarity reduction method.

Effect of electron beam irradiation on the viscosity of carboxymethylcellulose solution

NASA Astrophysics Data System (ADS)

Choi, Jong-il; Lee, Hee-Sub; Kim, Jae-Hun; Lee, Kwang-Won; Chung, Young-Jin; Byun, Myung-Woo; Lee, Ju-Woon

2008-12-01

In this study, the effects of an electron beam irradiation on the viscosity of a carboxymethylcellulose (CMC) solution were investigated. The viscosity of the CMC solution was decreased with an increase in the irradiation dose. Interestingly, the extent of the degradation of the CMC was found to decrease with an increase of the CMC concentration in the solution. The change of the average molar mass confirmed the decrease in the viscosity due to the degradation of the polymer. The energy of the electron beam also affected the degradation of the CMC. Lower degradation of the CMC was obtained with a decreasing electron beam energy due to its lower penetration. Addition of vitamin C as a radical scavenger to the solution and an irradiation at -70 °C were shown to be moderately effective in preventing a decrease in the viscosity of the solution by irradiation.

[Study of methods of decalcification for making united slices of tooth and affiliated periodontic tissues].

PubMed

Wang, Yu; Mu, Ya-bing; Miao, Lei-ying; Sun, Hong-chen; Li, Cheng-ku

2007-03-01

To study the methods of decalcification for making united slices of tooth and affiliated periodontic tissues. Twenty-one samples containing dog molars and affiliated periodontic tissues were divided into seven mean groups. The pH value of solution, time of decalcification, weight and volume of samples, and content of decalcified calcium were detected. The slices were observed by HE, specific, and immunohistochemical stain. The velocity of decalcification increased with decrease of solution pH. The weight of samples lightened by 37.61%, the volume reduced by 25.97% on average, and calcium decalcified was 174.49 mg per gram humid samples. The EDTA decalcification was slowest, but it was best. Decalcification was fast in Plank-Rycho solution while the section was worst, and faster in the formyl solution containing aluminium chloride than in EDTA, and the section was better. The 50% formyl solution containing aluminium chloride is an ideal decalcifying solution.

Study of coupled nonlinear partial differential equations for finding exact analytical solutions

PubMed Central

Khan, Kamruzzaman; Akbar, M. Ali; Koppelaar, H.

2015-01-01

Exact solutions of nonlinear partial differential equations (NPDEs) are obtained via the enhanced (G′/G)-expansion method. The method is subsequently applied to find exact solutions of the Drinfel'd–Sokolov–Wilson (DSW) equation and the (2+1)-dimensional Painlevé integrable Burgers (PIB) equation. The efficiency of this method for finding these exact solutions is demonstrated. The method is effective and applicable for many other NPDEs in mathematical physics. PMID:26587256

Phosphate Adsorption from Membrane Bioreactor Effluent Using Dowex 21K XLT and Recovery as Struvite and Hydroxyapatite

PubMed Central

Nur, Tanjina; Loganathan, Paripurnanda; Kandasamy, Jaya; Vigneswaran, Saravanamuthu

2016-01-01

Discharging phosphate through wastewaters into waterways poses a danger to the natural environment due to the serious risks of eutrophication and health of aquatic organisms. However, this phosphate, if economically recovered, can partly overcome the anticipated future scarcity of phosphorus (P) resulting from exhaustion of natural phosphate rock reserves. An experiment was conducted to determine the efficiency of removing phosphate from a membrane bioreactor effluent (pH 7.0–7.5, 20, 35 mg phosphate/L) produced in a water reclamation plant by adsorption onto Dowex 21K XLT ion exchange resin and recover the phosphate as fertilisers. The data satisfactorily fitted to Langmuir adsorption isotherm with a maximum adsorption capacity of 38.6 mg·P/g. The adsorbed phosphate was quantitatively desorbed by leaching the column with 0.1 M NaCl solution. The desorbed phosphate was recovered as struvite when ammonium and magnesium were added at the molar ratio of phosphate, ammonium and magnesium of 1:1:1 at pH 9.5. Phosphate was also recovered from the desorbed solution as hydroxyapatite precipitate by adding calcium hydroxide to the solution at a phosphate to calcium molar ratio of 1:2 at pH 7.0. The P contents of struvite and hydroxyapatite produced were close to those of the respective commercial phosphate fertilisers. PMID:26950136

Hydrodynamics of the VanA-type VanS histidine kinase: an extended solution conformation and first evidence for interactions with vancomycin

PubMed Central

Phillips-Jones, Mary K.; Channell, Guy; Kelsall, Claire J.; Hughes, Charlotte S.; Ashcroft, Alison E.; Patching, Simon G.; Dinu, Vlad; Gillis, Richard B.; Adams, Gary G.; Harding, Stephen E.

2017-01-01

VanA-type resistance to glycopeptide antibiotics in clinical enterococci is regulated by the VanSARA two-component signal transduction system. The nature of the molecular ligand that is recognised by the VanSA sensory component has not hitherto been identified. Here we employ purified, intact and active VanSA membrane protein (henceforth referred to as VanS) in analytical ultracentrifugation experiments to study VanS oligomeric state and conformation in the absence and presence of vancomycin. A combination of sedimentation velocity and sedimentation equilibrium in the analytical ultracentrifuge (SEDFIT, SEDFIT-MSTAR and MULTISIG analysis) showed that VanS in the absence of the ligand is almost entirely monomeric (molar mass M = 45.7 kDa) in dilute aqueous solution with a trace amount of high molar mass material (M ~ 200 kDa). The sedimentation coefficient s suggests the monomer adopts an extended conformation in aqueous solution with an equivalent aspect ratio of ~(12 ± 2). In the presence of vancomycin over a 33% increase in the sedimentation coefficient is observed with the appearance of additional higher s components, demonstrating an interaction, an observation consistent with our circular dichroism measurements. The two possible causes of this increase in s – either a ligand induced dimerization and/or compaction of the monomer are considered. PMID:28397853

Precipitation method for barium metaborate (BaB2O4) synthesis from borax solution

NASA Astrophysics Data System (ADS)

Akşener, Eymen; Figen, Aysel Kantürk; Pişkin, Sabriye

2013-12-01

In this study, barium metaborate (BaB2O4, BMB) synthesis from the borax solution was carried out. BMB currently is used in production of ceramic glazes, luminophors, oxide cathodes as well as additives to pigments for aqueous emulsion paints and also β-BaB2O4 single crystals are the best candidate for fabrication of solid-state UV lasers operating at a wavelength of 200 nm due to excellent nonlinear optical properties. In the present study, synthesis was carried out from the borax solution (Na2B4O7ṡ10H2O, BDH) and barium chloride (BaCI2ṡ2H2O, Ba) in the glass-batch reactor with stirring. The effect of, times (5-15 min), molar ratio [stoich.ration (1.0:2.0), 1.25:2.0, 1.5:2.0, 2.5:2:0, 3.0:2.0, 3.5:2.0,4.0:2.0, 5.0:2.0] and also crystallization time (2-6 hour) on the BMB yield (%) was investigated at 80 °C reaction temperature. It is found that, BMB precipitation synthesis with 90 % yield can be performed from 0.50 molar ration (BDH:Ba), under 80 °C, 15 minute, and 6 hours crystallization time. The structural properties of BMB powders were characterized by using XRD, FT-IR and DTA-TG instrumental analysis technique.

Novel mesoporous FeAl bimetal oxides for As(III) removal: Performance and mechanism.

PubMed

Ding, Zecong; Fu, Fenglian; Cheng, Zihang; Lu, Jianwei; Tang, Bing

2017-02-01

In this study, novel mesoporous FeAl bimetal oxides were successfully synthesized, characterized, and employed for As(III) removal. Batch experiments were conducted to investigate the effects of Fe/Al molar ratio, dosage, and initial solution pH values on As(III) removal. The results showed that the FeAl bimetal oxide with Fe/Al molar ratio 4:1 (shorten as FeAl-4) can quickly remove As(III) from aqueous solution in a wide pH range. The FeAl-4 before and after reaction with As(III) was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HR-TEM) and selected area electron diffraction (SAED), Brunauer-Emmett-Teller (BET) surface area measurement, and X-ray photoelectron spectroscopy (XPS). The BET results showed that the original FeAl-4 with a high surface area of 223.9 m 2 /g was a mesoporous material. XPS analysis indicated that the surface of FeAl-4 possessed a high concentration of M-OH (where M represents Fe and Al), which was beneficial to the immobility of As(III). The excellent performance of FeAl-4 makes it a potentially attractive material for As(III) removal from aqueous solution. Copyright © 2016 Elsevier Ltd. All rights reserved.

On the Utilization of Pozzolanic Wastes as an Alternative Resource of Cement

PubMed Central

Karim, Md. Rezaul; Hossain, Md. Maruf; Khan, Mohammad Nabi Newaz; Zain, Muhammad Fauzi Mohd; Jamil, Maslina; Lai, Fook Chuan

2014-01-01

Recently, as a supplement of cement, the utilization of pozzolanic materials in cement and concrete manufacturing has increased significantly. This study investigates the scope to use pozzolanic wastes (slag, palm oil fuel ash and rice husk ash) as an alkali activated binder (AAB) that can be used as an alternative to cement. To activate these materials, sodium hydroxide solution was used at 1.0, 2.5 and 5.0 molar concentration added into the mortar, separately. The required solution was used to maintain the flow of mortar at 110% ± 5%. The consistency and setting time of the AAB-paste were determined. Mortar was tested for its flow, compressive strength, porosity, water absorption and thermal resistance (heating at 700 °C) and investigated by scanning electron microscopy. The experimental results reveal that AAB-mortar exhibits less flow than that of ordinary Portland cement (OPC). Surprisingly, AAB-mortars (with 2.5 molar solution) achieved a compressive strength of 34.3 MPa at 28 days, while OPC shows that of 43.9 MPa under the same conditions. Although water absorption and porosity of the AAB-mortar are slightly high, it shows excellent thermal resistance compared to OPC. Therefore, based on the test results, it can be concluded that in the presence of a chemical activator, the aforementioned pozzolans can be used as an alternative material for cement. PMID:28788277

Characterization of a protein conjugate using an asymmetrical-flow field-flow fractionation and a size-exclusion chromatography with multi-detection system.

PubMed

Rebolj, Katja; Pahovnik, David; Zagar, Ema

2012-09-04

In this study we present detailed characterization of a protein-PEG conjugate using two separation techniques, that is, asymmetrical-flow field-flow fractionation (AF4) and size-exclusion chromatography (SEC), which were online coupled to a series of successively connected detectors: an ultraviolet, a multiangle light-scattering, a quasi-elastic light-scattering, and a refractive-index detector (UV-MALS(QELS)-RI). Matrix-assisted laser-desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) was used as a complementary characterization technique. The results of AF4 as well as SEC on two columns connected in series, with both separation techniques coupled to a multidetection system, indicate the uniform molar mass and chemical composition of the conjugate, that is, the molar ratio of protein to PEG is 1/1, the presence of minute amounts of residual unreacted protein and the aggregates with the same chemical composition as that of the conjugate. Since the portion of aggregated species is smaller in the acetate buffer solution containing 5% sorbitol than in the acetate buffer solution with 200-mM sodium chloride, the former buffer solution is more suitable for conjugate storage. The separation using only one SEC column results in poorly resolved peaks of the PEGylated protein conjugate and the aggregates, whereas MALDI-TOF MS analysis reveal the presence of the residual protein, but not the aggregates.

Electropulse treatment of water solution of humic substances in a layer iron granules in process of water treatment

NASA Astrophysics Data System (ADS)

Lobanova, G. L.; Yurmazova, T. A.; Shiyan, L. N.; Machekhina, K. I.

2016-02-01

The present work is a part of a continuations study of the physical and chemical processes complex in natural waters containing humic-type organic substances at the influence of pulsed electrical discharges in a layer of iron pellets. The study of humic substances processing in the iron granules layer by means of pulsed electric discharge for the purpose of water purification from organic compounds humic origin from natural water of the northern regions of Russia is relevant for the water treatment technologies. In case of molar humate sodium - iron ions (II) at the ratio 2:3, reduction of solution colour and chemical oxygen demand occur due to the humate sodium ions and iron (II) participation in oxidation-reduction reactions followed by coagulation insoluble compounds formation at a pH of 6.5. In order to achieve this molar ratio and the time of pulsed electric discharge, equal to 10 seconds is experimentally identified. The role of secondary processes that occur after disconnection of the discharge is shown. The time of contact in active erosion products with sodium humate, equal to 1 hour is established. During this time, the value of permanganate oxidation and iron concentration in solution achieves the value of maximum permissible concentrations and further contact time increase does not lead to the controlled parameters change.

Surface and anti-fouling properties of a polyampholyte hydrogel grafted onto a polyethersulfone membrane.

PubMed

Zhang, Wei; Yang, Zhe; Kaufman, Yair; Bernstein, Roy

2018-05-01

Zwitterion polymers have anti-fouling properties; therefore, grafting new zwitterions to surfaces, particularly as hydrogels, is one of the leading research directions for preventing fouling. Specifically, polyampholytes, polymers of random mixed charged subunits with a net-electric charge, offer a synthetically easy alternative for studying new zwitterions with a broad spectrum of charged moieties. Here, a novel polyampholyte hydrogel was grafted onto the surface of polyethersulfone membrane by copolymerizing a mixture of vinylsulfonic acid (VSA) and [2-(methacryloyloxy)ethyl]trimethylammonium chloride (METMAC) as the negatively and positively charged monomers, respectively, using various monomer ratios in the polymerization solution, and with N,N'-methylenebisacrylamide as the crosslinker. The physicochemical, morphological and anti-fouling properties of the modified membranes were systematically investigated. Hydrophilic hydrogels were successfully grafted using monomers at different molar ratios. A thin-film zwitterion hydrogel (∼90 nm) was achieved at a 3:1 [VSA:METMAC] molar ratio in the polymerization solution. Among all examined membranes, the zwitterion polyampholyte-modified membrane demonstrated the lowest adsorption of proteins, humic acid, and sodium alginate. It also had low fouling and high flux recovery following filtration with a protein or with an extracellular polymeric substance solution. These findings suggest that this polyampholyte hydrogel is applicable as a low fouling surface coating. Copyright © 2018 Elsevier Inc. All rights reserved.

On the Utilization of Pozzolanic Wastes as an Alternative Resource of Cement.

PubMed

Karim, Md Rezaul; Hossain, Md Maruf; Khan, Mohammad Nabi Newaz; Zain, Muhammad Fauzi Mohd; Jamil, Maslina; Lai, Fook Chuan

2014-12-05

Recently, as a supplement of cement, the utilization of pozzolanic materials in cement and concrete manufacturing has increased significantly. This study investigates the scope to use pozzolanic wastes (slag, palm oil fuel ash and rice husk ash) as an alkali activated binder (AAB) that can be used as an alternative to cement. To activate these materials, sodium hydroxide solution was used at 1.0, 2.5 and 5.0 molar concentration added into the mortar, separately. The required solution was used to maintain the flow of mortar at 110% ± 5%. The consistency and setting time of the AAB-paste were determined. Mortar was tested for its flow, compressive strength, porosity, water absorption and thermal resistance (heating at 700 °C) and investigated by scanning electron microscopy. The experimental results reveal that AAB-mortar exhibits less flow than that of ordinary Portland cement (OPC). Surprisingly, AAB-mortars (with 2.5 molar solution) achieved a compressive strength of 34.3 MPa at 28 days, while OPC shows that of 43.9 MPa under the same conditions. Although water absorption and porosity of the AAB-mortar are slightly high, it shows excellent thermal resistance compared to OPC. Therefore, based on the test results, it can be concluded that in the presence of a chemical activator, the aforementioned pozzolans can be used as an alternative material for cement.

Formation of inhalable rifampicin-poly(L-lactide) microparticles by supercritical anti-solvent process.

PubMed

Patomchaiviwat, Vipaluk; Paeratakul, Ornlaksana; Kulvanich, Poj

2008-01-01

Formation of inhalable microparticles containing rifampicin and poly(L-lactide) (L-PLA) by using supercritical anti-solvent process (SAS) was investigated. The solutions of drug and polymer in methylene chloride were sprayed into supercritical carbon dioxide. The effect of polymer content and operating conditions, temperature, pressure, carbon dioxide molar fraction, and concentration of solution, on product characteristics were studied. The prepared microparticles were characterized with respect to their morphology, particle size and size distribution, drug content, drug loading efficiency, and drug release characteristic. Discrete, spherical microparticles were obtained at high polymer:drug ratios of 7:3, 8:2, and 9:1. The shape of L-PLA microparticles became more irregular and agglomerated with decreasing polymer content. Microparticles with polymer content higher than 60% exhibited volumetric mean diameter less than 5 microm, but percent drug loading efficiency was relatively low. Drug-loaded microparticles containing 70% and 80% L-PLA showed a sustainable drug release property without initial burst release. Operating temperature level influenced on mean size and size distribution of microparticles. The operating pressure and carbon dioxide molar fraction in the range investigated were unlikely to have an effect on microparticle formation. An increasing concentration of feed solution provided larger size microparticles. Rifampicin-loaded L-PLA microparticles could be produced by SAS in a size range suitable for dry powder inhaler formulation.

Spectrophotometric investigation of the hetero-association of Caffeine and thiazine dye in aqueous solution

NASA Astrophysics Data System (ADS)

Bolotin, P. A.; Baranovsky, S. F.; Evstigneev, M. P.

2006-06-01

The self-association of thiazine dye, Methylene Blue (MB), and its hetero-association with Caffeine (CAF), were studied in aqueous solution by means of spectrophotometry in the visible range of spectrum. Concentration and temperature dependences of molar absorption of the interacting molecules were used to analyse dynamic equilibrium in solution in terms of two-component model of molecular hetero-association. The magnitudes of equilibrium dimerization and hetero-association constants as well as thermodynamic parameters, enthalpy and entropy, were determined. The calculation of the fraction of different types of associates in the mixed solution, containing Methylene Blue and Caffeine, was done. It was concluded that the hetero-association of Methylene Blue and Caffeine molecules results in lower effective concentration of the dye in solution, which may account for the alteration of its biological activity.

Interrelation of transport properties, defect structure and spin state of Ni3+ in La1.2Sr0.8Ni0.9Fe0.1O4+δ

NASA Astrophysics Data System (ADS)

Gilev, A. R.; Kiselev, E. A.; Zakharov, D. M.; Cherepanov, V. A.

2017-10-01

The total conductivity, Seebeck coefficient and oxygen non-stoichiometry for La1.2Sr0.8Ni0.9Fe0.1O4+δ have been measured vs temperature and oxygen partial pressure P(O2). The measurements were carried out at 800, 850, 900 and 950 °C within the P(O2) range of 10-5-0.21 atm. La1.2Sr0.8Ni0.9Fe0.1O4+δ was shown to be oxygen deficient in all temperature and P(O2) ranges studied. The calculated values of the partial molar enthalpy of oxygen depend very slightly on oxygen content (δ), indicating that La1.2Sr0.8Ni0.9Fe0.1O4+δ with the oxygen deficiency can be considered an ideal solution. The model of point defect equilibria in La1.2Sr0.8Ni0.9Fe0.1O4+δ has been proposed and fitted to experimental dependencies. Subsequent joint analysis of the defect structure and transport properties revealed that electron holes can coexist in both localized and quasi-delocalized states in the oxide: the former corresponded to high-spin state Ni3+ and the latter - to low-spin state Ni3+. The mobilities of localized electron holes were shown to be significantly lower in comparison to quasi-delocalized ones. The behavior of localized electron holes was explained in terms of a small polaron conduction mechanism; in contrast, quasi-delocalized electron holes were described in terms of a band conduction approach. The small polaron conduction mechanism was shown to be predominant in the Sr- and Fe-co-doped lanthanum nickelate.

An empirical relation between the limiting ionic molar conductivities and self-diffusion coefficients of pure solvents

NASA Astrophysics Data System (ADS)

Matsuyama, Hisashi; Motoyoshi, Kota

2018-05-01

The limiting ionic molar conductivity (λ∞) of an electrolyte solution depends on the self-diffusion coefficient (Ds) of the pure solvent when the temperature (T) changes. To study the Ds-dependence of λ∞, we proposed a new empirical relation λ∞ ∝(Ds / T) t , with a parameter t. The relation is applied to the λ∞ and Ds of alkali, tetra-alkyl ammonium, and halogen ions in water or methanol. All ions except for tetra-alkyl ammonium ions in water exhibit excellent linear relationships in their λ∞ ∝(Ds / T) t plots, with t in the range from 0.88 to 1.26. This is the first report showing an affirmative linear correlation between λ∞ and Ds.

Photocatalytic degradation of tetracycline by Ti-MCM-41 prepared at room temperature and biotoxicity of degradation products

NASA Astrophysics Data System (ADS)

Zhou, Kefu; Xie, Xiao-Dan; Chang, Chang-Tang

2017-09-01

Ti-doped MCM-41 with different Si/Ti molar ratios was prepared at room temperature to degrade tetracycline antibiotics in aqueous solution. The Ti was doped into the skeleton structure of MCM-41. The photocatalytic activity of Ti-doped MCM-41 was investigated. The optimal catalyst had Si/Ti molar ratio of 25 and over 99% removal of oxytetracycline in 150 min, and the removal could maintain 98% after 5 reuses. Ions and soluble organic matters in natural water affected the degradation reaction when Ti-doped MCM-41 was used to treat simulated wastewater of chicken farms. The degradation products of oxytetracycline, tetracycline and chlortetracycline were detected by Escherichia coli DH5α and HPLC-MS/MS. No intermediate product with higher toxicity was detected.

Solvent dependence of the steady-state rate of 1O 2 generation upon excitation of dissolved oxygen by cw 1267 nm laser radiation in air-saturated solutions: Estimates of the absorbance and molar absorption coefficients of oxygen at the excitation wavelength

NASA Astrophysics Data System (ADS)

Krasnovsky, A. A., Jr.; Roumbal, Ya. V.; Ivanov, A. V.; Ambartzumian, R. V.

2006-10-01

The rates of oxygenation of the 1O 2 trap, 1,3-diphenylisobenzofuran were measured in air-saturated organic solvents and heterogeneous D 2O-sodium dodecyl sulfate dispersions upon infrared (1267 ± 4 nm) laser irradiation. The absorbance and molar absorption coefficients of oxygen corresponding to this wavelength were estimated from the observed oxygenation rates. The data suggest that 1O 2 was formed due to direct oxygen excitation without appreciable involvement of vibrationally excited solvent molecules. The minor 'pseudophase' of detergent micelles was shown to strongly enhance overall 1O 2 production in D 2O-detergent dispersions.