Thermodynamics of phenanthrene partition into solid organic matter from water.

PubMed

Chen, Bao-liang; Zhu, Li-zhong; Tao, Shu

2005-01-01

The thermodynamic behavior of organic contaminants in soils is essential to develop remediation technologies and assess risk from alternative technologies. Thermodynamics of phenanthrene partition into four solids(three soils and a bentonite) from water were investigated. The thermodynamics parameters (deltaH, deltaG degrees, deltaS degrees) were calculated according to experimental data. The total sorption heats of phenanthrene to solids from water ranged from -7.93 to -17.1 kJ/mol, which were less exothermic than the condensation heat of phenanthrene-solid (i.e., -18.6 kJ/mol). The partition heats of phenanthrene dissolved into solid organic matter ranged from 23.1 to 32.2 kJ/mol, which were less endothermic than the aqueous dissolved heat of phenanthrene (i.e., 40.2 kJ/mol), and were more endothermic than the fusion heat of phenanthrene-solid (i.e., 18.6 kJ/mol). The standard free energy changes, deltaG degrees, are all negative which suggested that phenanthrene sorption into solid was a spontaneous process. The positive values of standard entropy changes, deltaS degrees, show a gain in entropy for the transfer of phenanthrene at the stated standard state. Due to solubility-enhancement of phenanthrene, the partition coefficients normalized by organic carbon contents decrease with increasing system temperature (i.e., ln Koc = -0.284 ln S + 9.82 (n = 4, r2 = 0.992)). The solubility of phenanthrene in solid organic matter increased with increasing temperatures. Transports of phenanthrene in different latitude locations and seasons would be predicted according to its sorption thermodynamics behavior.

Solubility and Thermodynamics: An Introductory Experiment

NASA Astrophysics Data System (ADS)

Silberman, Robert G.

1996-05-01

This article describes a laboratory experiment suitable for high school or freshman chemistry students in which the solubility of potassium nitrate is determined at several different temperatures. The data collected is used to calculate the equilibrium constant, delta G, delta H, and delta S for dissolution reaction. The simplifying assumptions are noted in the article.

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.

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.

delta 6 Hexadecenoic acid is synthesized by the activity of a soluble delta 6 palmitoyl-acyl carrier protein desaturase in Thunbergia alata endosperm.

PubMed

Cahoon, E B; Cranmer, A M; Shanklin, J; Ohlrogge, J B

1994-11-04

delta 6 Hexadecenoic acid (16:1 delta 6) composes more than 80% of the seed oil of Thunbergia alata. Studies were conducted to determine the biosynthetic origin of the double bond of this unusual fatty acid. Assays of fractions of developing T. alata seed endosperm with [1-14C]palmitoyl (16:0)-acyl carrier protein (ACP) revealed the presence of a soluble delta 6 desaturase activity. This activity was greatest when 16:0-ACP was provided as a substrate, whereas no desaturation of the coenzyme A ester of this fatty acid was detected. In addition, delta 6 16:0-ACP desaturase activity in T. alata endosperm extracts was dependent on the presence of ferredoxin and molecular oxygen and was stimulated by catalase. To further characterize this enzyme, a cDNA encoding a diverged acyl-ACP desaturase was isolated from a T. alata endosperm cDNA library using polymerase chain reaction with degenerate oligonucleotides corresponding to conserved amino acid sequences in delta 9 stearoyl (18:0)- and delta 4 16:0-ACP desaturases. The primary structure of the mature peptide encoded by this cDNA shares 66% identity with the mature castor delta 9 18:0-ACP desaturase and 57% identity with the mature coriander delta 4 16:0-ACP desaturase. Extracts of Escherichia coli that express the T. alata cDNA catalyzed the delta 6 desaturation of 16:0-ACP. These results demonstrate that 16:1 delta 6 in T. alata endosperm is formed by the activity of a soluble delta 6 16:0-ACP desaturase that is structurally related to the delta 9 18:0- and delta 4 16:0-ACP desaturases. Implications of this work to an understanding of active site structures of acyl-ACP desaturases are discussed.

In silico prediction of drug solubility: 2. Free energy of solvation in pure melts.

PubMed

Lüder, Kai; Lindfors, Lennart; Westergren, Jan; Nordholm, Sture; Kjellander, Roland

2007-02-22

The solubility of drugs in water is investigated in a series of papers and in the current work. The free energy of solvation, DeltaG*(vl), of a drug molecule in its pure drug melt at 673.15 K (400 degrees C) has been obtained for 46 drug molecules using the free energy perturbation method. The simulations were performed in two steps where first the Coulomb and then the Lennard-Jones interactions were scaled down from full to no interaction. The results have been interpreted using a theory assuming that DeltaG*(vl) = DeltaG(cav) + E(LJ) + E(C)/2 where the free energy of cavity formation, DeltaG(cav), in these pure drug systems was obtained using hard body theories, and E(LJ) and E(C) are the Lennard-Jones and Coulomb interaction energies, respectively, of one molecule with the other ones. Since the main parameter in hard body theories is the volume fraction, an equation of state approach was used to estimate the molecular volume. Promising results were obtained using a theory for hard oblates, in which the oblate axial ratio was calculated from the molecular surface area and volume obtained from simulations. The Coulomb term, E(C)/2, is half of the Coulomb energy in accord with linear response, which showed good agreement with our simulation results. In comparison with our previous results on free energy of hydration, the Coulomb interactions in pure drug systems are weaker, and the van der Waals interactions play a more important role.

Thermodynamic study on competitive solubilization of cholesterol and beta-sitosterol in bile salt micelles.

PubMed

Matsuoka, Keisuke; Hirosawa, Takashi; Honda, Chikako; Endo, Kazutoyo; Moroi, Yoshikiyo; Shibata, Osamu

2007-07-01

Differences in the preferential solubilization of cholesterol and competitive solubilizates (beta-sitosterol and aromatic compounds) in bile salt micelles was systematically studied by changing the molar ratio of cholesterol to competitive solubilizates. The cholesterol solubility in a mixed binary system (cholesterol and beta-sitosterol) was almost half that of the cholesterol alone system, regardless of the excess beta-sitosterol quantity added. On the other hand, the mutual solubilities of cholesterol and pyrene were not inhibited by their presence in binary mixed crystals. Finally, the cholesterol solubility was measured by changing the alkyl chain length of n-alkylbenzenes. When tetradecylbenzene was added to the bile solution, the cholesterol solubility decreased slightly and was below the original cholesterol solubility. Based on Gibbs energy change (DeltaG degrees ) for solubilization, chemicals that inhibit cholesterol solubility in their combined crystal systems showed a larger negative DeltaG degrees value than cholesterol alone.

Carbon, hydrogen and nitrogen isotopes in solvent-extractable organic matter from carbonaceous chondrites

NASA Technical Reports Server (NTRS)

Becker, R. H.; Epstein, S.

1982-01-01

CCl4 and CH3OH solvent extractions were performed on the Murray, Murchison, Orgueil and Renazzo carbonaceous chondrites. Delta-D values of +300-+500% are found in the case of the CH3OH-soluble organic matter. The combined C, H and N isotope data makes it unlikely that the CH3OH-soluble components are derivable from, or simply related to, the insoluble organic polymer found in the same meteorites. A relation between the event that formed hydrous minerals in CI1 and CM2 meteorites and the introduction of water- and methanol-soluble organic compounds is suggested. Organic matter soluble in CCl4 has no N, and delta-C-13 values are lower than for CH3OH-soluble phases. It is concluded that there either are large isotopic fractionations for carbon and hydrogen between different soluble organic phases, or the less polar components are partially of terrestrial origin.

Roselle (Hibiscus sabdariffa) seed oil is a rich source of gamma-tocopherol.

PubMed

Mohamed, R; Fernández, J; Pineda, M; Aguilar, M

2007-04-01

The antioxidant potential of roselle (Hibiscus sabdariffa L.) extracts was studied. Different plant organs, including seeds, stems, leaves, and sepals, were analyzed with respect to their water-soluble antioxidant capacity, lipid-soluble antioxidant capacity, and tocopherol content, revealing that roselle seeds are a good source of lipid-soluble antioxidants, particularly gamma-tocopherol. Roselle seed oil was extracted and characterized, and its physicochemical parameters are summarized: acidity, 2.24%; peroxide index, 8.63 meq/kg; extinction coefficients at 232 (k(232)) and 270 nm (k(270)), 3.19 and 1.46, respectively; oxidative stability, 15.53 h; refractive index, 1.477; density, 0.92 kg/L; and viscosity, 15.9 cP. Roselle seed oil belongs to the linoleic/oleic category, its most abundant fatty acids being C18:2 (40.1%), C18:1 (28%), C16:0 (20%), C18:0 (5.3%), and C19:1 (1.7%). Sterols include beta-sitosterol (71.9%), campesterol (13.6%), Delta-5-avenasterol (5.9%), cholesterol (1.35%), and clerosterol (0.6%). Total tocopherols were detected at an average concentration of 2000 mg/kg, including alpha-tocopherol (25%), gamma-tocopherol (74.5%), and delta-tocopherol (0.5%). The global characteristics of roselle seed oil suggest that it could have important industrial applications, adding to the traditional use of roselle sepals in the elaboration of karkade tea.

The solubility of hydrogen in plutonium in the temperature range 475 to 825 degrees centigrade

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

Allen, T.H.

1991-01-01

The solubility of hydrogen (H) in plutonium metal (Pu) was measured in the temperature range of 475 to 825{degree}C for unalloyed Pu (UA) and in the temperature range of 475 to 625{degree}C for Pu containing two-weight-percent gallium (TWP). For TWP metal, in the temperature range 475 to 600{degree}C, the saturated solution has a maximum hydrogen to plutonium ration (H/Pu) of 0.00998 and the standard enthalpy of formation ({Delta}H{degree}{sub f(s)}) is (-0.128 {plus minus} 0.0123) kcal/mol. The phase boundary of the solid solution in equilibrium with plutonium dihydride (PuH{sub 2}) is temperature independent. In the temperature range 475 to 625{degree}C, UAmore » metal has a maximum solubility at H/Pu = 0.011. The phase boundary between the solid solution region and the metal+PuH{sub 2} two-phase region is temperature dependent. The solubility of hydrogen in UA metal was also measured in the temperature range 650 to 825{degree}C with {Delta}H{degree}{sub f(s)} = (-0.104 {plus minus} 0.0143) kcal/mol and {Delta}S{degree}{sub f(s)} = 0. The phase boundary is temperature dependent and the maximum hydrogen solubility has H/Pu = 0.0674 at 825{degree}C. 52 refs., 28 figs., 9 tabs.« less

Advax™, a novel microcrystalline polysaccharide particle engineered from delta inulin, provides robust adjuvant potency together with tolerability and safety

PubMed Central

Petrovsky, Nikolai; Cooper, Peter D.

2015-01-01

There is an ongoing need for new adjuvants to facilitate development of vaccines against HIV, tuberculosis, malaria and cancer, amongst many others. Unfortunately, the most potent adjuvants are often associated with toxicity and safety issues. Inulin, a plant-derived polysaccharide, has no immunological activity in its native soluble form but when crystallised into stable microparticles (delta inulin) acquires potent adjuvant activity. Delta inulin has been shown to enhance humoral and cellular immune responses against a broad range of co-administered viral, bacterial, parasitic and toxin antigens. Inulin normally crystallises as large heterogeneous particles with a broad size distribution and variable solubility temperatures. To ensure reproducible delta inulin particles with a consistent size distribution and temperature of solubility, a current Good Manufacturing Practice (cGMP) process was designed to produce Advax™ adjuvant. In its cGMP form, Advax™ adjuvant has proved successful in human trials of vaccines against seasonal and pandemic influenza, hepatitis B and insect sting anaphylaxis, enhancing antibody and T-cell responses while at the same time being safe and well tolerated. Advax™ adjuvant thereby represents a novel human adjuvant with positive effects on both humoral and cellular immunity. This review describes the discovery and development of Advax™ adjuvant and research into its unique mechanism of action. PMID:26407920

Effects of middle-term land reclamation on nickel soil-water interaction: a case study from reclaimed salt marshes of Po River Delta, Italy.

PubMed

Di Giuseppe, Dario; Melchiorre, Massimiliano; Faccini, Barbara; Ferretti, Giacomo; Coltorti, Massimo

2017-09-26

Reclaimed salt marshes are fragile environments where water salinization and accumulation of heavy metals can easily occur. This type of environment constitutes a large part of the Po River Delta (Italy), where intensive agricultural activities take place. Given the higher Ni background of Po River Delta soils and its water-soluble nature, the main aim of this contribution is to understand if reclamation can influence the Ni behavior over time. In this study, we investigated the geochemical features of 40 soils sampled in two different localities from the Po River Delta with different reclamation ages. Samples of salt marsh soils reclaimed in 1964 were taken from Valle del Mezzano while soils reclaimed in 1872 were taken nearby Codigoro town. Batch solubility tests and consecutive determination of Ni in pore-water were compared to bulk physicochemical compositions of soils. Bulk Ni content of the studied soils is naturally high, since these soils originated from Po River sediments derived from the erosion of ultramafic rocks. Moreover, it seems that Ni concentration increases during soil evolution, being probably related to the degradation of serpentine. Instead, the water-soluble Ni measured in the leaching tests is greater in soils recently reclaimed compared to the oldest soils. Soil properties of two soil profiles from a reclaimed wetland area were examined to determine soil evolution over one century. Following reclamation, pedogenic processes of the superficial horizons resulted in organic matter mineralization, pH buffer, and a decrease of Ni water solubility from recently to evolved reclaimed soil.

Thermodynamic perspective on the dock-lock growth mechanism of amyloid fibrils.

PubMed

O'Brien, Edward P; Okamoto, Yuko; Straub, John E; Brooks, Bernard R; Thirumalai, D

2009-10-29

The mechanism of addition of a soluble unstructured monomer to a preformed ordered amyloid fibril is a complex process. On the basis of the kinetics of monomer disassociation of Abeta(1-40) from the amyloid fibril, it has been suggested that deposition is a multistep process involving a rapid reversible association of the unstructured monomer to the fibril surface (docking) followed by a slower conformational rearrangement leading to the incorporation onto the underlying fibril lattice (locking). By exploiting the vast time scale separation between the dock and lock processes and using molecular dynamics simulation of deposition of the disordered peptide fragment (35)MVGGVV(40) from the Abeta peptide onto the fibril with known crystal structure, we provide a thermodynamic basis for the dock-lock mechanism of fibril growth. Free energy profiles, computed using implicit solvent model and enhanced sampling methods with the distance (delta(C)) between the center of mass of the peptide and the fibril surface as the order parameter, show three distinct basins of attraction. When delta(C) is large, the monomer is compact and unstructured and the favorable interactions with the fibril results in stretching of the peptide at delta(C) approximately 13 A. As delta(C) is further decreased, the peptide docks onto the fibril surface with a structure that is determined by a balance between intrapeptide and peptide fibril interactions. At delta(C) approximately 4 A, a value that is commensurate with the spacing between beta-strands in the fibril, the monomer expands and locks onto the fibril. Using simulations with implicit solvent model and all atom molecular dynamics in explicit water, we show that the locked monomer, which interacts with the underlying fibril, undergoes substantial conformational fluctuations and is not stable. The cosolutes urea and TMAO destabilize the unbound phase and stabilize the docked phase. Interestingly, small crowding particles enhance the stability of the fibril-bound monomer only marginally. We predict that the experimentally measurable critical monomer concentration, C(R), at which the soluble unbound monomer is in equilibrium with the ordered fibril, increases sharply as temperature is increased under all solution conditions.

Cannabinoids in glaucoma II: the effect of different cannabinoids on intraocular pressure of the rabbit.

PubMed

ElSohly, M A; Harland, E C; Benigni, D A; Waller, C W

1984-06-01

Thirty-two different cannabinoids were tested for their ability to reduce intraocular pressure (IOP) in the rabbit. These included many of delta 9- and delta 8-THC derivatives and metabolites along with other natural and synthetic cannabinoids. In addition, some non-cannabinoid constituents of Cannabis were screened using the same model. All compounds were administered intravenously, while only a few were tested topically in mineral oil. Water soluble derivatives of delta 9- and delta 8-THC were prepared and tested topically in aqueous solution. The data revealed that certain derivatives of delta 9-and delta 8-THC were more active in lowering IOP than the parent cannabinoids. In addition, compounds other than delta 9- and delta 8-THC and their derivatives were shown to have activity.

Conducting transition metal nitride thin films with tailored cell sizes: The case of {delta}-Ti{sub x}Ta{sub 1-x}N

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

Koutsokeras, L. E.; Laboratoire PHYMAT, Universite de Poitiers-CNRS, UMR 6630, SP2MI, Teleport 2, Bd Marie et Pierre Curie, 86962 Chasseneuil-Futuroscope; Abadias, G.

2008-07-07

We present results on the stability and tailoring of the cell size of conducting {delta}-Ti{sub x}Ta{sub 1-x}N obtained by film growth and ab initio calculations. Despite the limited solubility of Ta in Ti, we show that TiN and TaN are soluble due to the hybrization of the d and sp electrons of the metal and N, respectively, that stabilizes the ternary system to the rocksalt structure. The stress-free cell sizes follow the Vegard's rule; nevertheless, process-dependent stresses expand the cell size of the as-grown films. The electronic properties of {delta}-Ti{sub x}Ta{sub 1-x}N films ({rho}=180 {omega} cm) are similar to thosemore » of TiN and TaN.« less

Sulfur speciation and stable isotope trends of water-soluble sulfates in mine tailings profiles.

PubMed

Dold, Bernhard; Spangenberg, Jorge E

2005-08-01

Sulfur speciation and the sources of water-soluble sulfate in three oxidizing sulfidic mine tailings impoundments were investigated by selective dissolution and stable isotopes. The studied tailings impoundments--Piuquenes, Cauquenes, and Salvador No. 1--formed from the exploitation of the Rio Blanco/La Andina, El Teniente, and El Salvador Chilean porphyry copper deposits, which are located in Alpine, Mediterranean, and hyperarid climates, respectively. The water-soluble sulfate may originate from dissolution of primary ore sulfates (e.g., gypsum, anhydrite, jarosite) or from oxidation of sulfide minerals exposed to aerobic conditions during mining activity. With increasing aridity and decreasing pyrite content of the tailings, the sulfur speciation in the unsaturated oxidation zones showed a trend from dominantly Fe(III) oxyhydroxide fixed sulfate (e.g., jarosite and schwertmannite) in Piuquenes toward increasing presence of water-soluble sulfate at Cauquenes and Salvador No. 1. In the saturated primary zones, sulfate is predominantly present in water-soluble form (mainly as anhydrite and/or gypsum). In the unsaturated zone at Piuquenes and Cauquenes, the delta34S(SO4)values ranged from +0.5 per thousand to +2.0 per thousand and from -0.4 per thousand to +1.4 per thousand Vienna Canyon Diablo Troilite (V-CDT), respectively, indicating a major sulfate source from pyrite oxidation (delta34S(pyrite) = -1.1 per thousand and -0.9 per thousand). In the saturated zone at Piuquenes and Cauquenes, the values ranged from -0.8 per thousand to +0.3 per thousand and from +2.2 per thousand to +3.9 per thousand, respectively. At Cauquenes the 34S enrichment in the saturated zone toward depth indicates the increasing contribution of isotopically heavy dissolved sulfate from primary anhydrite (approximately +10.9 per thousand). At El Salvador No. 1, the delta34S(SO4) average value is -0.9 per thousand, suggesting dissolution of supergene sulfate minerals (jarosite, alunite, gypsum) with a delta34S approximately -0.7 per thousand as the most probable sulfate source. The gradual decrease of delta18O(SO4) values from the surface to the oxidation front in the tailings impoundments at Piuquenes (from -4.5 per thousand to -8.6 per thousand Vienna Standard Mean Ocean Water, V-SMOW) and at Cauquenes (from -1.3 per thousand to -3.5 per thousand) indicates the increasing importance of ferric iron as the main electron acceptor in the oxidation of pyrite. The different delta18O(SO4) values between the tailings impoundments studied here reflect the local climates.

Crystallization and preliminary X-ray diffraction of the DEAD-box protein Mss116p complexed with an RNA oligonucleotide and AMP-PNP

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

Del Campo, Mark; Lambowitz, Alan M.; Texas)

2009-09-02

The Saccharomyces cerevisiae DEAD-box protein Mss116p is a general RNA chaperone which functions in mitochondrial group I and group II intron splicing, translation and RNA-end processing. For crystallization trials, full-length Mss116p and a C-terminally truncated protein (Mss116p/{Delta}598-664) were overproduced in Escherichia coli and purified to homogeneity. Mss116p exhibited low solubility in standard solutions ({le}1 mg ml{sup -1}), but its solubility could be increased by adding 50 mM L-arginine plus 50 mM L-glutamate and 50% glycerol to achieve concentrations of {approx}10 mg ml{sup -1}. Initial crystals were obtained by the microbatch method in the presence of a U{sub 10} RNA oligonucleotidemore » and the ATP analog AMP-PNP and were then improved by using seeding and sitting-drop vapor diffusion. A cryocooled crystal of Mss116p/{Delta}598-664 in complex with AMP-PNP and U{sub 10} belonged to space group P2{sub 1}2{sub 1}2, with unit-cell parameters a = 88.54, b = 126.52, c = 55.52 {angstrom}, and diffracted X-rays to beyond 1.9 {angstrom} resolution using synchrotron radiation from sector 21 at the Advanced Photon Source.« less

Non-extensive entropy and properties of polaron in RbCl delta quantum dot under an applied electric field and Coulombic impurity

NASA Astrophysics Data System (ADS)

Tiotsop, M.; Fotue, A. J.; Fotsin, H. B.; Fai, L. C.

2017-08-01

Bound polaron in RbCl delta quantum dot under electric field and Coulombic impurity were considered. The ground and first excited state energy were derived by employing Pekar variational and unitary transformation methods. Applying Fermi golden rule, the expression of temperature and polaron lifetime were derived. The decoherence was studied trough the Tsallis entropy. Results shows that decreasing (or increasing) the lifetime increases (or decreases) the temperature and delta parameter (electric field strength and hydrogenic impurity). This suggests that to accelerate quantum transition in nanostructure, temperature and delta have to be enhanced. The improvement of electric field and coulomb parameter, increases the lifetime of the delta quantum dot qubit. Energy spectrum of polaron increases with increase in temperature, electric field strength, Coulomb parameter, delta parameter, and polaronic radius. The control of the delta quantum dot energies can be done via the electric field, coulomb impurity, and delta parameter. Results also show that the non-extensive entropy is an oscillatory function of time. With the enhancement of delta parameter, non-extensive parameter, Coulombic parameter, and electric field strength, the entropy has a sinusoidal increase behavior with time. With the study of decoherence through the Tsallis entropy, it may be advised that to have a quantum system with efficient transmission of information, the non-extensive and delta parameters need to be significant. The study of the probability density showed an increase from the boundary to the center of the dot where it has its maximum value and oscillates with period T0 = ℏ / ΔE with the tunneling of the delta parameter, electric field strength, and Coulombic parameter. The results may be very helpful in the transmission of information in nanostructures and control of decoherence

Modified method for estimating petroleum source-rock potential using wireline logs, with application to the Kingak Shale, Alaska North Slope

USGS Publications Warehouse

Rouse, William A.; Houseknecht, David W.

2016-02-11

In 2012, the U.S. Geological Survey completed an assessment of undiscovered, technically recoverable oil and gas resources in three source rocks of the Alaska North Slope, including the lower part of the Jurassic to Lower Cretaceous Kingak Shale. In order to identify organic shale potential in the absence of a robust geochemical dataset from the lower Kingak Shale, we introduce two quantitative parameters, $\\Delta DT_\\bar{x}$ and $\\Delta DT_z$, estimated from wireline logs from exploration wells and based in part on the commonly used delta-log resistivity ($\\Delta \\text{ }log\\text{ }R$) technique. Calculation of $\\Delta DT_\\bar{x}$ and $\\Delta DT_z$ is intended to produce objective parameters that may be proportional to the quality and volume, respectively, of potential source rocks penetrated by a well and can be used as mapping parameters to convey the spatial distribution of source-rock potential. Both the $\\Delta DT_\\bar{x}$ and $\\Delta DT_z$ mapping parameters show increased source-rock potential from north to south across the North Slope, with the largest values at the toe of clinoforms in the lower Kingak Shale. Because thermal maturity is not considered in the calculation of $\\Delta DT_\\bar{x}$ or $\\Delta DT_z$, total organic carbon values for individual wells cannot be calculated on the basis of $\\Delta DT_\\bar{x}$ or $\\Delta DT_z$ alone. Therefore, the $\\Delta DT_\\bar{x}$ and $\\Delta DT_z$ mapping parameters should be viewed as first-step reconnaissance tools for identifying source-rock potential.

Flame Emission Spectrometry in General Chemistry Labs: Solubility Product (K[subscript sp]) of Potassium Hydrogen Phthalate

ERIC Educational Resources Information Center

Nyasulu, Frazier W.; Cusworth, William, III; Lindquist, David; Mackin, John

2007-01-01

In this general chemistry laboratory, flame emission spectrometry is used to determine the potassium ion concentration in saturated solutions of potassium hydrogen phthalate (KHP) in the 0-65 [degree]C temperature range. From these data the solubility products (K[subscript sp]), the Gibbs free energies of solution ([Delta][subscript…

Antioxidant activities of tocopherols on Fe2+-ascorbate-induced lipid peroxidation in lecithin liposomes.

PubMed

Fukuzawa, K; Tokumura, A; Ouchi, S; Tsukatani, H

1982-07-01

The antioxidant activities of 4 tocopherols, tocol, and a water-soluble model analog of alpha-tocopherol were compared. Egg lecithin liposomes were used and oxidation was catalyzed by Fe2+-ascorbate. The activities decreased in the order alpha greater than beta greater than gamma greater than delta-tocopherol greater than tocol, in agreement with their potencies in vivo. The water-soluble analog was the least effective. Activity depended on the molar ratio of antioxidant to unsaturated lipid, with one molecule each of the alpha-, beta-, gamma-, delta-tocopherol and tocol capable of protecting, respectively, 220, 120, 100, 30 and 20 molecules of polyunsaturated fatty acid. The mechanism of possible antioxidant effect of the compounds used is discussed.

Phase relationships and cation disorder in RE{sub 1+x}Ba{sub 2-x}Cu{sub 3}O{sub 7+{delta}}, RE = Pr, Nd, Sm, Gd

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

Kramer, M.J.; Wu, H.; Dennis, K.W.

1995-12-31

Unlike Y123 which forms only a stoichiometric compound, the light arare earth elements (LRE) form a solid solution LRE{sub 1+x}Ba{sub 2-x}Cu{sub 3}O{sub 7+{delta}} (LRE123ss), with increasing substitution of the LRE{sup 3+} for the Ba{sup 2+} as the ionic radii of the LRE increases. The sub-solidus phase relationships around the LRE123ss change for La, Pr and Nd, but are similar for Sm and Gd. However, the solubility limit decreases with decreasing ionic radii. In addition, the solubility limits for Sm and Gd are strongly influenced by PO{sub 2} during high temperature annealing. The range of solubility is, for any given LREmore » system, strongly dependent on the oxygen partial pressure (PO{sub 2}) providing a new means by which to control the microstructure in the RE123 system.« less

Uptake of Hypobromous Acid (HOBr) by Aqueous Sulfuric Acid Solutions: Low-Temperature Solubility and Reaction

NASA Technical Reports Server (NTRS)

Iraci, Laura T.; Michelsen, Rebecca R.; Ashbourn, Samatha F. M.; Rammer, Thomas A.; Golden, David M.

2005-01-01

Hypobromous acid (HOBr) is a key species linking inorganic bromine to the chlorine and odd hydrogen chemical families. We have measured the solubility of HOBr in 45 - 70 wt% sulfuric acid solutions representative of upper tropospheric and lower stratospheric aerosol composition. Over the temperature range 201 - 252 K, HOBr is quite soluble in sulfuric acid, with an effective Henry's law coefficient, H* = 10(exp 4) - 10(exp 7) mol/L/atm. H* is inversely dependent on temperature, with Delta H = -46.2 kJ/mol and Delta S = -106.2 J/mol/K for 55 - 70 wt% H2SO4 solutions. Our study includes temperatures which overlap both previous measurements of HOBr solubility. For uptake into aqueous 45 wt% H2SO4, the solubility can be described by log H* = 3665/T - 10.63. For 55 - 70 wt% H2SO4, log H* = 2412/T - 5.55. At temperatures colder than approx. 213 K, the solubility of HOBr in 45 wt% H2SO4 is noticeably larger than in 70 wt% H2SO4. The solubility of HOBr is comparable to that of HBr, indicating that upper tropospheric and lower stratospheric aerosols should contain equilibrium concentrations of HOBr which equal or exceed those of HBr. Our measurements indicate chemical reaction of HOBr upon uptake into aqueous sulfuric acid in the presence of other brominated gases followed by evolution of gaseous products including Br2O and Br2, particularly at 70 wt% H2SO4.

Influence of different organic fertilizers on quality parameters and the delta(15)N, delta(13)C, delta(2)H, delta(34)S, and delta(18)O values of orange fruit (Citrus sinensis L. Osbeck).

PubMed

Rapisarda, Paolo; Camin, Federica; Fabroni, Simona; Perini, Matteo; Torrisi, Biagio; Intrigliolo, Francesco

2010-03-24

To investigate the influence of different types of fertilizers on quality parameters, N-containing compounds, and the delta(15)N, delta(13)C, delta(2)H, delta (34)S, and delta(18)O values of citrus fruit, a study was performed on the orange fruit cv. 'Valencia late' (Citrus sinensis L. Osbeck), which was harvested in four plots (three organic and one conventional) located on the same farm. The results demonstrated that different types of organic fertilizers containing the same amount of nitrogen did not effect important changes in orange fruit quality parameters. The levels of total N and N-containing compounds such as synephrine in fruit juice were not statistically different among the different treatments. The delta(15)N values of orange fruit grown under fertilizer derived from animal origin as well as from vegetable compost were statistically higher than those grown with mineral fertilizer. Therefore, delta(15)N values can be used as an indicator of citrus fertilization management (organic or conventional), because even when applied organic fertilizers are of different origins, the natural abundance of (15)N in organic citrus fruit remains higher than in conventional ones. These treatments also did not effect differences in the delta(13)C, delta(2)H, delta(34)S, and delta(18)O values of fruit.

Enthalpy-entropy compensation for the solubility of drugs in solvent mixtures: paracetamol, acetanilide, and nalidixic acid in dioxane-water.

PubMed

Bustamante, P; Romero, S; Pena, A; Escalera, B; Reillo, A

1998-12-01

In earlier work, a nonlinear enthalpy-entropy compensation was observed for the solubility of phenacetin in dioxane-water mixtures. This effect had not been earlier reported for the solubility of drugs in solvent mixtures. To gain insight into the compensation effect, the behavior of the apparent thermodynamic magnitudes for the solubility of paracetamol, acetanilide, and nalidixic acid is studied in this work. The solubility of these drugs was measured at several temperatures in dioxane-water mixtures. DSC analysis was performed on the original powders and on the solid phases after equilibration with the solvent mixture. The thermal properties of the solid phases did not show significant changes. The three drugs display a solubility maximum against the cosolvent ratio. The solubility peaks of acetanilide and nalidixic acid shift to a more polar region at the higher temperatures. Nonlinear van't Hoff plots were observed for nalidixic acid whereas acetanilide and paracetamol show linear behavior at the temperature range studied. The apparent enthalpies of solution are endothermic going through a maximum at 50% dioxane. Two different mechanisms, entropy and enthalpy, are suggested to be the driving forces that increase the solubility of the three drugs. Solubility is entropy controlled at the water-rich region (0-50% dioxane) and enthalpy controlled at the dioxane-rich region (50-100% dioxane). The enthalpy-entropy compensation analysis also suggests that two different mechanisms, dependent on cosolvent ratio, are involved in the solubility enhancement of the three drugs. The plots of deltaH versus deltaG are nonlinear, and the slope changes from positive to negative above 50% dioxane. The compensation effect for the thermodynamic magnitudes of transfer from water to the aqueous mixtures can be described by a common empirical nonlinear relationship, with the exception of paracetamol, which follows a separate linear relationship at dioxane ratios above 50%. The results corroborate earlier findings with phenacetin. The similar pattern shown by the drugs studied suggests that the nonlinear enthalpy-entropy compensation effect may be characteristic of the solubility of semipolar drugs in dioxane-water mixtures.

Prevention of Hydrogen-Induced Cracking in HY-130 Weldments.

DTIC Science & Technology

1977-09-30

cubic delta ferrite at the melting point (1538 C). The solu- bility increases from about k.9 to 8.3 ppm when delta ferrite transforms to * 3 The H... ferrite at 912 C. The solubility in ferrite then de- creases to less than 0.5 ppm at ambient temperature. This theory postulates that atomic...content than the dark- etching bands, and thus correspond to the regions last to freeze between the dendritic arms in the original ingot. During

The Solubility Parameters of Ionic Liquids

PubMed Central

Marciniak, Andrzej

2010-01-01

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

The modified extended Hansen method to determine partial solubility parameters of drugs containing a single hydrogen bonding group and their sodium derivatives: benzoic acid/Na and ibuprofen/Na.

PubMed

Bustamante, P; Pena, M A; Barra, J

2000-01-20

Sodium salts are often used in drug formulation but their partial solubility parameters are not available. Sodium alters the physical properties of the drug and the knowledge of these parameters would help to predict adhesion properties that cannot be estimated using the solubility parameters of the parent acid. This work tests the applicability of the modified extended Hansen method to determine partial solubility parameters of sodium salts of acidic drugs containing a single hydrogen bonding group (ibuprofen, sodium ibuprofen, benzoic acid and sodium benzoate). The method uses a regression analysis of the logarithm of the experimental mole fraction solubility of the drug against the partial solubility parameters of the solvents, using models with three and four parameters. The solubility of the drugs was determined in a set of solvents representative of several chemical classes, ranging from low to high solubility parameter values. The best results were obtained with the four parameter model for the acidic drugs and with the three parameter model for the sodium derivatives. The four parameter model includes both a Lewis-acid and a Lewis-base term. Since the Lewis acid properties of the sodium derivatives are blocked by sodium, the three parameter model is recommended for these kind of compounds. Comparison of the parameters obtained shows that sodium greatly changes the polar parameters whereas the dispersion parameter is not much affected. Consequently the total solubility parameters of the salts are larger than for the parent acids in good agreement with the larger hydrophilicity expected from the introduction of sodium. The results indicate that the modified extended Hansen method can be applied to determine the partial solubility parameters of acidic drugs and their sodium salts.

Multiphysics phase field modeling of hydrogen diffusion and delta-hydride precipitation in alpha-zirconium

NASA Astrophysics Data System (ADS)

Jokisaari, Andrea M.

Hydride precipitation in zirconium is a significant factor limiting the lifetime of nuclear fuel cladding, because hydride microstructures play a key role in the degradation of fuel cladding. However, the behavior of hydrogen in zirconium has typically been modeled using mean field approaches, which do not consider microstructural evolution. This thesis describes a quantitative microstructural evolution model for the alpha-zirconium/delta-hydride system and the associated numerical methods and algorithms that were developed. The multiphysics, phase field-based model incorporates CALPHAD free energy descriptions, linear elastic solid mechanics, and classical nucleation theory. A flexible simulation software implementing the model, Hyrax, is built on the Multiphysics Object Oriented Simulation Environment (MOOSE) finite element framework. Hyrax is open-source and freely available; moreover, the numerical methods and algorithms that have been developed are generalizable to other systems. The algorithms are described in detail, and verification studies for each are discussed. In addition, analyses of the sensitivity of the simulation results to the choice of numerical parameters are presented. For example, threshold values for the CALPHAD free energy algorithm and the use of mesh and time adaptivity when employing the nucleation algorithm are studied. Furthermore, preliminary insights into the nucleation behavior of delta-hydrides are described. These include a) the sensitivities of the nucleation rate to temperature, interfacial energy, composition and elastic energy, b) the spatial variation of the nucleation rate around a single precipitate, and c) the effect of interfacial energy and nucleation rate on the precipitate microstructure. Finally, several avenues for future work are discussed. Topics encompass the terminal solid solubility hysteresis of hydrogen in zirconium and the effects of the alpha/delta interfacial energy, as well as thermodiffusion, plasticity, and irradiation, which are not yet accounted for in the model.

[Study on solubility of Chinese herbal compound by solubility parameter].

PubMed

Wu, Dezhi; Chen, Lihua; Wang, Sen; Zhu, Weifeng; Guan, Yongmei

2010-02-01

To demonstrate the solubility of Chinese herbal compound with solubility parameters. The solubility parameters of Liangfu effective components and Liangfu compound were determined by inverse gas chromatograph (IGC) and group contribution. Hansen ball was plotting by HSPiP, which could be used to investigate the solubility of Liangfu effective components and Liangfu compound in different solvents. And the results were verified by approximate solubility. Liangfu effective components and Liangfu compound could be dissolved in chloroform, ethyl acetate, acetone, octanol and ether, and were slightly soluble in glycerol, methanol, ethanol and propanediol, but could not be dissolved in water. They were all liposoluble, and the results were the same as the test results of the approximate solubility. The solubility of Chinese herbal compound can be expressed by solubility parameters, and it is accurate, convenient and visual.

The Hildebrand solubility parameters of ionic liquids-part 2.

PubMed

Marciniak, Andrzej

2011-01-01

The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods.

The Hildebrand Solubility Parameters of Ionic Liquids—Part 2

PubMed Central

Marciniak, Andrzej

2011-01-01

The Hildebrand solubility parameters have been calculated for eight ionic liquids. Retention data from the inverse gas chromatography measurements of the activity coefficients at infinite dilution were used for the calculation. From the solubility parameters, the enthalpies of vaporization of ionic liquids were estimated. Results are compared with solubility parameters estimated by different methods. PMID:21747694

A methodology for formulating a minimal uncertainty model for robust control system design and analysis

NASA Technical Reports Server (NTRS)

Belcastro, Christine M.; Chang, B.-C.; Fischl, Robert

1989-01-01

In the design and analysis of robust control systems for uncertain plants, the technique of formulating what is termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents the transfer function matrix M(s) of the nominal system, and delta represents an uncertainty matrix acting on M(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unstructured uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, and for real parameter variations the diagonal elements are real. As stated in the literature, this structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the literature addresses methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty. Since have a delta matrix of minimum order would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta model would be useful. A generalized method of obtaining a minimal M-delta structure for systems with real parameter variations is given.

Determination of Solubility Parameters of Ibuprofen and Ibuprofen Lysinate.

PubMed

Kitak, Teja; Dumičić, Aleksandra; Planinšek, Odon; Šibanc, Rok; Srčič, Stanko

2015-12-03

In recent years there has been a growing interest in formulating solid dispersions, which purposes mainly include solubility enhancement, sustained drug release and taste masking. The most notable problem by these dispersions is drug-carrier (in)solubility. Here we focus on solubility parameters as a tool for predicting the solubility of a drug in certain carriers. Solubility parameters were determined in two different ways: solely by using calculation methods, and by experimental approaches. Six different calculation methods were applied in order to calculate the solubility parameters of the drug ibuprofen and several excipients. However, we were not able to do so in the case of ibuprofen lysinate, as calculation models for salts are still not defined. Therefore, the extended Hansen's approach and inverse gas chromatography (IGC) were used for evaluating of solubility parameters for ibuprofen lysinate. The obtained values of the total solubility parameter did not differ much between the two methods: by the extended Hansen's approach it was δt = 31.15 MPa(0.5) and with IGC it was δt = 35.17 MPa(0.5). However, the values of partial solubility parameters, i.e., δd, δp and δh, did differ from each other, what might be due to the complex behaviour of a salt in the presence of various solvents.

TRANSMISSION ELECTRON MICROSCOPY STUDY OF HELIUM BEARING FUSION WELDS

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

Tosten, M; Michael Morgan, M

2008-12-12

A transmission electron microscopy (TEM) study was conducted to characterize the helium bubble distributions in tritium-charged-and-aged 304L and 21Cr-6Ni-9Mn stainless steel fusion welds containing approximately 150 appm helium-3. TEM foils were prepared from C-shaped fracture toughness test specimens containing {delta} ferrite levels ranging from 4 to 33 volume percent. The weld microstructures in the low ferrite welds consisted mostly of austenite and discontinuous, skeletal {delta} ferrite. In welds with higher levels of {delta} ferrite, the ferrite was more continuous and, in some areas of the 33 volume percent sample, was the matrix/majority phase. The helium bubble microstructures observed were similarmore » in all samples. Bubbles were found in the austenite but not in the {delta} ferrite. In the austenite, bubbles had nucleated homogeneously in the grain interiors and heterogeneously on dislocations. Bubbles were not found on any austenite/austenite grain boundaries or at the austenite/{delta} ferrite interphase interfaces. Bubbles were not observed in the {delta} ferrite because of the combined effects of the low solubility and rapid diffusion of tritium through the {delta} ferrite which limited the amount of helium present to form visible bubbles.« less

On the formulation of a minimal uncertainty model for robust control with structured uncertainty

NASA Technical Reports Server (NTRS)

Belcastro, Christine M.; Chang, B.-C.; Fischl, Robert

1991-01-01

In the design and analysis of robust control systems for uncertain plants, representing the system transfer matrix in the form of what has come to be termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents a transfer function matrix M(s) of the nominal closed loop system, and the delta represents an uncertainty matrix acting on M(s). The nominal closed loop system M(s) results from closing the feedback control system, K(s), around a nominal plant interconnection structure P(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unsaturated uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, but for real parameter variations delta is a diagonal matrix of real elements. Conceptually, the M-delta structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the currently available literature addresses computational methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty, where the term minimal refers to the dimension of the delta matrix. Since having a minimally dimensioned delta matrix would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta would be useful. Hence, a method of obtaining the interconnection system P(s) is required. A generalized procedure for obtaining a minimal P-delta structure for systems with real parameter variations is presented. Using this model, the minimal M-delta model can then be easily obtained by closing the feedback loop. The procedure involves representing the system in a cascade-form state-space realization, determining the minimal uncertainty matrix, delta, and constructing the state-space representation of P(s). Three examples are presented to illustrate the procedure.

Effects of climate change on evapotranspiration over the Okavango Delta water resources

NASA Astrophysics Data System (ADS)

Moses, Oliver; Hambira, Wame L.

2018-06-01

In semi-arid developing countries, most poor people depend on contaminated surface or groundwater resources since they do not have access to safe and centrally supplied water. These water resources are threatened by several factors that include high evapotranspiration rates. In the Okavango Delta region in the north-western Botswana, communities facing insufficient centrally supplied water rely mainly on the surface water resources of the Delta. The Delta loses about 98% of its water through evapotranspiration. However, the 2% remaining water rescues the communities facing insufficient water from the main stream water supply. To understand the effects of climate change on evapotranspiration over the Okavango Delta water resources, this study analysed trends in the main climatic parameters needed as input variables in evapotranspiration models. The Mann Kendall test was used in the analysis. Trend analysis is crucial since it reveals the direction of trends in the climatic parameters, which is helpful in determining the effects of climate change on evapotranspiration. The main climatic parameters required as input variables in evapotranspiration models that were of interest in this study were wind speeds, solar radiation and relative humidity. Very little research has been conducted on these climatic parameters in the Okavango Delta region. The conducted trend analysis was more on wind speeds, which had relatively longer data records than the other two climatic parameters of interest. Generally, statistically significant increasing trends have been found, which suggests that climate change is likely to further increase evapotranspiration over the Okavango Delta water resources.

Stable Isotope Composition of Dissolved Sulphate and Carbonate in Selected Natural Systems.

NASA Astrophysics Data System (ADS)

Staniaszek, Piotr

In this thesis, isotope and concentration data are used to discuss the origin of sulphate in different systems; lakes and groundwaters in the Crowsnest Pass and Kikomun Creek Park, hot and cold springs in the Rocky Mountains, and vegetation under the influence of anthropogenic SO _2 and/or biogenic H_2 S emissions. Since sulphur cycling is intertwined with carbon cycling, carbon isotope data were also obtained for dissolved carbonate in some systems. It was concluded that very little of the oxygen in sulphate in lakes and hot springs of western Canada was derived from the associated water. In lakes and groundwater in the Crowsnest Pass, two major sources of sulphur were identified: sulphate from evaporites (delta^{34} S = +26perthous, delta^{18}O positive) on the northern side of the pass, and sulphur from oxidation of sulphides on the southern side (delta ^{34}S and delta ^{18}O both negative). Although hundreds of kilometers apart, some springs were found to have isotopically similar SO_4 ^{2-}. This suggests a common source, e.g. anhydrite associated with Mississippian limestones and cherts. However, data for chemical parameters indicate that such a source is not homogeneous or other sources are involved for some ions. Each spring possesses individual composition traits. The delta^{13} C value of total dissolved carbon at spring orifices was found to vary linearly with temperature according to the relationship: delta^{13} C = 0.11 times t - 9.67perthous (r = 0.948). It is difficult to attribute such a relationship to biogenic processes which are expected to yield more variable delta^{13}C values. From a number of possible mechanisms, it would seem that a physical property such as the temperature dependent of CO _2 solubility might be the underlying cause. Sulphate in plant tissues is derived from the soil, atmospheric gaseous compounds, and perhaps mechanically trapped aerosols. Data for delta^ {18}O values of sulphate in plants have not been reported previously. For plants growing in the vicinity of industrial SO_2 emissions it was found that the delta^{18 }O values in sulphate are influenced by the delta^{18}O values of local precipitation (comparison of data from Alberta, Canada, and California, USA). Thistles with very high sulphur concentrations (12,000 ppm) growing near the sour gas processing plant at Crossfield, Alberta were examined. It was concluded from the isotope data that they derived their sulphur from deeper soil. In contrast, grass with shallower roots contained much higher proportions of industrially emitted sulphur. In the vicinity of springs emitting H _2S, a linear correlation was found between delta^{34}S and delta^{18}O values in plant sulphate and that in springs. Mosses did not follow this trend. Their delta^{18 }O values were higher than for other adjacent plants.

A Minimum Delta V Orbit Maintenance Strategy for Low-Altitude Missions Using Burn Parameter Optimization

NASA Technical Reports Server (NTRS)

Brown, Aaron J.

2011-01-01

Orbit maintenance is the series of burns performed during a mission to ensure the orbit satisfies mission constraints. Low-altitude missions often require non-trivial orbit maintenance Delta V due to sizable orbital perturbations and minimum altitude thresholds. A strategy is presented for minimizing this Delta V using impulsive burn parameter optimization. An initial estimate for the burn parameters is generated by considering a feasible solution to the orbit maintenance problem. An low-lunar orbit example demonstrates the Delta V savings from the feasible solution to the optimal solution. The strategy s extensibility to more complex missions is discussed, as well as the limitations of its use.

Solubilizing properties of new surface-active agents, products of catalytic oxyethylation of cholic acid.

PubMed

Kołodziejczyk, Michał Krzysztof; Nachajski, Michal Jakub; Lukosek, Marek; Zgoda, Marian Mikołaj

2013-01-01

Solubilizing properties of aqueous solutions of a series of surface-active agents, products of oxyethylation of cholic acid, were examined in the present study. The content of oxyethylated segments determined by means of the 1H NMR method enabled the verification of the molecular mass of surfactants along with the calculation of the structural hydrophilic-lipophilic balance (HLB), the solubility parameter delta1/2, and the required solubility level of balance HLB(R). Viscosimetric measurements enabled the calculation of the limiting viscosity number, the content-average molecular mass, the effective volume, the hydrodynamic radius of the surfactant micelle and their equilibrium adducts with rutin, diclofenac and loratadine (BCS Class II and III). By means of the spectrophotometric method (UV) the amount of the solubilized diclofenac, loratadine and rutin (rutoside) was determined in the equilibrium system (saturated solution) in the environment of aqueous solutions of cholic acid derivatives of n(TE) = 20-70. The obtained results serve as a basis for determining the solubilization mechanism of lipophilic therapeutic products and indirectly for estimating the influence of the above process on pharmaceutical as well as biological availability of a micellar adduct from model drug forms (Lindbladt lithogenolitic index).

The solubility parameter for biomedical polymers-Application of inverse gas chromatography.

PubMed

Adamska, K; Voelkel, A; Berlińska, A

2016-08-05

The solubility parameter seems to be a useful tool for thermodynamic characterisation of different materials. The solubility parameter concept can be used to predict sufficient miscibility or solubility between a solvent and a polymer, as well as components of co-polymer matrix in composite biomaterials. The values of solubility parameter were determined for polycaprolactone (PCL), polylactic acid (PLA) and polyethylene glycol (PEG) by using different procedures and experimental data, collected by means of inverse gas chromatography. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Zhu Tangkui, E-mail: zhutangkui@sohu.com; Li, Miaoquan, E-mail: honeymli@nwpu.edu.cn

Effect of hydrogen content on the lattice parameter of Ti-6Al-4V alloy has been investigated by X-ray diffraction. The experimental results show that the solution of hydrogen in the Ti-6Al-4V alloy affects significantly on the lattice parameters of {alpha}, {beta} and {delta} phases, especially the {beta} phase. Furthermore, the critical hydrogen content of {delta} hydride formation for Ti-6Al-4V alloy is 0.385 wt.%. When the hydrogen content is lower than the critical hydrogen content, the {delta} hydride cannot precipitate and the lattice parameter ({alpha}) of {beta} phase linearly increases with the increasing of hydrogen content. When the hydrogen content is higher thanmore » the critical hydrogen content, the {delta} hydride precipitates and the lattice parameter ({alpha}) of {beta} phase varies inconspicuously with hydrogen content. In addition, the effects of lattice variations and {delta} hydride formation on microstructure are discussed. The {alpha}/{beta} interfaces of lamellar transformed {beta} phase become fuzzy with the increasing of hydrogen content because of the lattice expansion of {beta} phase. Compared with that of the Ti-6Al-4V alloy at low hydrogen content ({<=} 0.385 wt.%), the contrasts of primary {alpha} phase and transformed {beta} phase of Ti-6Al-4V alloy at high hydrogen content ({>=} 0.385 wt.%) were completely reversed due to the formation of {delta} hydride. - Research Highlights: {yields} A novel method for determining {delta} hydride in Ti-6Al-4V alloy is presented. {yields} The critical hydrogen content of {delta} hydride formation is 0.385 wt.%. {yields} The lattice parameter of {beta} phase can be expressed as follows: a=0.323(1+9.9x10{sup -2}C{sub H}) . {yields} Precipitation of {delta} hydride has a significant influence on the microstructure. {yields} The {alpha}/{beta} interfaces of transformed {beta} phase became fuzzy in the hydrogenated alloy.« less

Polymerization shrinkage and hygroscopic expansion of contemporary posterior resin-based filling materials--a comparative study.

PubMed

Rüttermann, Stefan; Krüger, Sören; Raab, Wolfgang H-M; Janda, Ralf

2007-10-01

To investigate the polymerization shrinkage and hygroscopic expansion of contemporary posterior resin-based filling materials. The densities of SureFil (SU), CeramXMono (CM), Clearfil AP-X (CF), Solitaire 2 (SO), TetricEvoCeram (TE), and Filtek P60 (FT) were measured using the Archimedes' principle prior to and 15min after curing for 20, 40 and 60s and after 1h, 24h, 7 d, and 30 d storage at 37 degrees C in water. Volumetric changes (DeltaV) in percent after polymerization and after each storage period in water were calculated from the changes of densities. Water sorption and solubility were determined after 30 d for all specimens and their curing times. Two-way ANOVA was calculated for shrinkage and repeated measures ANOVA was calculated for hygroscopic expansion (p<0.05). DeltaV depended on filler load but not on curing time (SU approximately -2.0%, CM approximately -2.6%, CF approximately -2.1%, SO approximately -3.3%, TE approximately -1.7%, FT approximately -1.8%). Hygroscopic expansion depended on water sorption and solubility. Except for SU, all materials showed DeltaV approximately +1% after water storage. Polymerization shrinkage depended on the type of resin-based filling material but not on curing time. Shrinkage was not compensated by hygroscopic expansion.

A Minimum (Delta)V Orbit Maintenance Strategy for Low-Altitude Missions Using Burn Parameter Optimization

NASA Technical Reports Server (NTRS)

Brown, Aaron J.

2011-01-01

Orbit maintenance is the series of burns performed during a mission to ensure the orbit satisfies mission constraints. Low-altitude missions often require non-trivial orbit maintenance (Delta)V due to sizable orbital perturbations and minimum altitude thresholds. A strategy is presented for minimizing this (Delta)V using impulsive burn parameter optimization. An initial estimate for the burn parameters is generated by considering a feasible solution to the orbit maintenance problem. An example demonstrates the dV savings from the feasible solution to the optimal solution.

High throughput screening: an in silico solubility parameter approach for lipids and solvents in SLN preparations.

PubMed

Shah, Malay; Agrawal, Yadvendra

2013-01-01

The present paper describes an in silico solubility behavior of drug and lipids, an essential screening study in preparation of solid lipid nanoparticles (SLN). Ciprofloxacin HCl was selected as a model drug along with 11 lipids and 5 organic solvents. In silico miscibility study of drug/lipid/solvent was performed using Hansen solubility parameter approach calculated by group contribution method of Van Krevelen and Hoftyzer. Predicted solubility was validated by determining solubility of lipids in various solvent at different temperature range, while miscibility of drug in lipids was determined by apparent solubility study and partition experiment. The presence of oxygen and OH functionality increases the polarity and hydrogen bonding possibilities of the compound which has reflected the highest solubility parameter values for Geleol and Capmul MCM C8. Ethyl acetate, Geleol and Capmul MCM C8 was identified as suitable organic solvent, solid lipid and liquid lipid respectively based on a solubility parameter approach which was in agreement with the result of an apparent solubility study and partition coefficient. These works demonstrate the validity of solubility parameter approach and provide a feasible predictor to the rational selection of excipients in designing SLN formulation.

Thermodynamics of the clusterization process of cis isomers of unsaturated fatty acids at the air/water interface.

PubMed

Vysotsky, Yu B; Belyaeva, E A; Fainerman, V B; Vollhardt, D; Aksenenko, E V; Miller, R

2009-04-02

In the framework of the semiempirical PM3 method, the thermodynamic parameters of cis isomers of unsaturated carboxylic acids at the air/water interface are studied. The model systems used are unsaturated cis fatty acid of the composition Delta = 12-15 and omega = 6-11, where Delta and omega refer to the number of carbon atoms between the functional group and double bond, and that between the double bond and methyl group, respectively. For dimers, trimers, and tetramers of the four acid series, the thermodynamic parameters of clusterization are calculated. It is shown that the position of the double bond does not significantly affect the values of thermodynamic parameters of formation and clusterization of carboxylic acids for equal chain lengths (n = Delta + omega). The calculated results show that for cis unsaturated fatty acid with odd Delta values the spontaneous clusterization threshold corresponds to n = 17-18 carbon atoms in the alkyl chain, while for monounsaturated acids with even Delta values this threshold corresponds to n = 18-19 carbon atoms in the alkyl chain. These differences in the clusterization threshold between the acids with even and odd Delta values are attributed to the formation of additional intermolecular hydrogen bonds between the ketonic oxygen atom of one monomer and the hydrogen atom linked to the alpha-carbon atom of the second monomer for the acids with odd Delta values or between the hydroxyl oxygen atom of one monomer and hydrogen atom linked to the alpha-carbon atom of the second monomer for the acids with even Delta values. The results obtained in the study agree satisfactorily with our experimental data for cis unsaturated nervonic (Delta15, omega9) and erucic acids (Delta13, omega9), and published data for some fatty acids, namely cis-16-heptadecenoic (Delta16, omega1), cis-9-hexadecenoic (Delta7, omega9), cis-11-eicosenoic (Delta11, omega9) and cis-9-octadecenoic acid (Delta9, omega9).

On the biosorption, by brown seaweed, Lobophora variegata, of Ni(II) from aqueous solutions: equilibrium and thermodynamic studies.

PubMed

Basha, Shaik; Jaiswar, Santlal; Jha, Bhavanath

2010-09-01

The biosorption equilibrium isotherms of Ni(II) onto marine brown algae Lobophora variegata, which was chemically-modified by CaCl(2) were studied and modeled. To predict the biosorption isotherms and to determine the characteristic parameters for process design, twenty-three one-, two-, three-, four- and five-parameter isotherm models were applied to experimental data. The interaction among biosorbed molecules is attractive and biosorption is carried out on energetically different sites and is an endothermic process. The five-parameter Fritz-Schluender model gives the most accurate fit with high regression coefficient, R (2) (0.9911-0.9975) and F-ratio (118.03-179.96), and low standard error, SE (0.0902-0.0.1556) and the residual or sum of square error, SSE (0.0012-0.1789) values to all experimental data in comparison to other models. The biosorption isotherm models fitted the experimental data in the order: Fritz-Schluender (five-parameter) > Freundlich (two-parameter) > Langmuir (two-parameter) > Khan (three-parameter) > Fritz-Schluender (four-parameter). The thermodynamic parameters such as DeltaG (0), DeltaH (0) and DeltaS (0) have been determined, which indicates the sorption of Ni(II) onto L. variegata was spontaneous and endothermic in nature.

High-affinity cannabinoid binding site in brain: A possible marijuana receptor

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

Nye, J.S.

The mechanism by which delta{sup 9} tetrahydrocannabinol (delta{sup 9}THC), the major psychoactive component of marijuana or hashish, produces its potent psychological and physiological effects is unknown. To find receptor binding sites for THC, we designed a water-soluble analog for use as a radioligand. 5{prime}-Trimethylammonium-delta{sup 8}THC (TMA) is a positively charged analog of delta-{sup 8}THC modified on the 5{prime} carbon, a portion of the molecule not important for its psychoactivity. We have studied the binding of ({sup 3}H)-5{prime}-trimethylammonium-delta-{sup 8}THC (({sup 3}H)TMA) to rat neuronal membranes. ({sup 3}H)TMA binds saturably and reversibly to brain membranes with high affinity to apparently one classmore » of sites. Highest binding site density occurs in brain, but several peripheral organs also display specific binding. Detergent solubilizes the sites without affecting their pharmacologial properties. Molecular sieve chromatography reveals a bimodal peak of ({sup 3}H)TMA binding activity of approximately 60,000 daltons apparent molecular weight.« less

Solubilization of poorly water-soluble drug carbamezapine in pluronic micelles: effect of molecular characteristics, temperature and added salt on the solubilizing capacity.

PubMed

Kadam, Yogesh; Yerramilli, Usha; Bahadur, Anita

2009-08-01

The solubilization of a poorly water-soluble antiepileptic drug, carbamazepine (CBZ), in a series of micelle-forming PEO-PPO-PEO block copolymers with combinations of blocks having different molecular weight was studied. The drug solubility and micelle-water partition coefficient (P) were determined using UV-vis spectroscopy. Dynamic light scattering on copolymer solutions was used to measure size and polydispersity of nanoaggregates. Solubilization of carbamezapine increased with the rise in temperature and concentration of block copolymers, but no significant increase was observed with added salt (NaCl). The solubilization is also discussed from a thermodynamics viewpoint, by considering the standard free energy of solubilization (DeltaG degrees ).

Sorption equilibrium of mercury onto ground-up tree fern.

PubMed

Ho, Yuh-Shan; Wang, Chung-Chi

2008-08-15

The sorption behavior of mercury at different temperatures onto ground-up tree fern was investigated. The experimental results were fitted to two two-parameter isotherms, the Freundlich and Langmuir isotherms, as well as to two three-parameter isotherms, the Redlich-Peterson and Sips isotherms to obtain the characteristic parameters of each model. A comparison of best-fitting was performed using the coefficient of determination and Chi-square test. Both the Langmuir and Redlich-Peterson isotherms were found to well represent the measured sorption data. According to the evaluation using the Langmuir equation, the saturated monolayer sorption capacity of mercury ions onto ground-up tree fern was 26.5 mg/g at 298 K. It was noted that an increase in temperature resulted in a higher mercury ion loading per unit weight of the tree fern. In addition, various thermodynamic parameters, such as DeltaG degrees, DeltaH degrees, and DeltaS degrees, were calculated and compared with the sorption of mercury by other sorbents.

Water and nitrogen conditions affect the relationships of Delta13C and Delta18O to gas exchange and growth in durum wheat.

PubMed

Cabrera-Bosquet, Llorenç; Molero, Gemma; Nogués, Salvador; Araus, José Luis

2009-01-01

Whereas the effects of water and nitrogen (N) on plant Delta(13)C have been reported previously, these factors have scarcely been studied for Delta(18)O. Here the combined effect of different water and N regimes on Delta(13)C, Delta(18)O, gas exchange, water-use efficiency (WUE), and growth of four genotypes of durum wheat [Triticum turgidum L. ssp. durum (Desf.) Husn.] cultured in pots was studied. Water and N supply significantly increased plant growth. However, a reduction in water supply did not lead to a significant decrease in gas exchange parameters, and consequently Delta(13)C was only slightly modified by water input. Conversely, N fertilizer significantly decreased Delta(13)C. On the other hand, water supply decreased Delta(18)O values, whereas N did not affect this parameter. Delta(18)O variation was mainly determined by the amount of transpired water throughout plant growth (T(cum)), whereas Delta(13)C variation was explained in part by a combination of leaf N and stomatal conductance (g(s)). Even though the four genotypes showed significant differences in cumulative transpiration rates and biomass, this was not translated into significant differences in Delta(18)O(s). However, genotypic differences in Delta(13)C were observed. Moreover, approximately 80% of the variation in biomass across growing conditions and genotypes was explained by a combination of both isotopes, with Delta(18)O alone accounting for approximately 50%. This illustrates the usefulness of combining Delta(18)O and Delta(13)C in order to assess differences in plant growth and total transpiration, and also to provide a time-integrated record of the photosynthetic and evaporative performance of the plant during the course of crop growth.

Influence of matching solubility parameter of polymer matrix and CNT on electrical conductivity of CNT/rubber composite

PubMed Central

Ata, Seisuke; Mizuno, Takaaki; Nishizawa, Ayumi; Subramaniam, Chandramouli; Futaba, Don N.; Hata, Kenji

2014-01-01

We report a general approach to fabricate elastomeric composites possessing high electrical conductivity for applications ranging from wireless charging interfaces to stretchable electronics. By using arbitrary nine kinds of rubbers as matrices, we experimentally demonstrate that the matching the solubility parameter of CNTs and the rubber matrix is important to achieve higher electrical conductivity in CNT/rubber composite, resulting in continuous conductive pathways leading to electrical conductivities as high as 15 S/cm with 10 vol% CNT in fluorinated rubber. Further, using thermodynamic considerations, we demonstrate an approach to mix CNTs to arbitrary rubber matrices regardless of solubility parameter of matrices by adding small amounts of fluorinated rubber as a polymeric-compatibilizer of CNTs. We thereby achieved electrical conductivities ranging from 1.2 to 13.8 S/cm (10 vol% CNTs) using nine varieties of rubber matrices differing in chemical structures and physical properties. Finally, we investigated the components of solubility parameter of CNT by using Hansen solubility parameters, these findings may useful for controlling solubility parameter of CNTs. PMID:25434701

Novel priming and crosslinking systems for use with isocyanatomethacrylate dental adhesives.

PubMed

Chappelow, C C; Power, M D; Bowles, C Q; Miller, R G; Pinzino, C S; Eick, J D

2000-11-01

(a) to design, formulate and evaluate prototype primers and a crosslinking agent for use with isocyanatomethacrylate-based comonomer adhesives and (b) to establish correlations between bond strength and solubility parameter differences between the adhesives and etched dentin, and the permeability coefficients of the adhesives. Equimolar mixtures of 2-isocyanatoethyl methacrylate (IEM) and a methacrylate comonomer were formulated with tri-n-butyl borane oxide (TBBO) as the free radical initiator to have cure times of 6-10 min. Shear bond strengths to dentin were determined for each adhesive mixture (n = 7) using standard testing protocols. Shear bond strengths for the three systems were also determined after application of "reactive primers" to the dentin surface. The "reactive primers" contained 10-20 parts by weight of the respective comonomer mixture and 3.5 parts by weight TBBO in acetone. Solubility parameters difference values (delta delta) and permeability coefficients (P) were approximated for each adhesive system and correlated with shear bond strength values. Additionally, a crosslinking agent was prepared by bulk reaction of an equimolar mixture containing IEM and a methacrylate comonomer. The effects of crosslinker addition on: (a) the setting time of IEM; and (b) the setting times and initiator requirements of selected IEM/comonomer mixtures were determined. Shear bond strength values (MPa): IEM/HEMA 13.6 +/- 2.0 (no primer), 20.1 +/- 2.0 (with primer); IEM/HETMA 9.3 +/- 3.3 (no primer), 20.8 +/- 8.1 (with primer); IEM/AAEMA 13.6 +/- 1.9 (no primer), 17.3 +/- 3.2 (with primer). Also, approximated permeability coefficients showed a significant correlation (r = +0.867, p < 0.001) with shear bond strength values. Crosslinker addition studies with IEM/4-META: (a) at 5-9 mol% reduced the setting time of IEM polymerization by 79%; and (b) at 6 mol% reduced initiator level requirements 60-70% to achieve a comparable setting time, and decreased setting times by ca. 75% for a given initiator level with selected IEM/methacrylate adhesive systems. The shear bond strengths of isocyanatomethacrylate-based dental adhesives can be enhanced by using reactive primers; their setting times and initiator requirements can be improved using a dimethacrylate crosslinker. Approximated permeability coefficients may be useful as indicators of bonding performance for dentin adhesive systems.

Summary of longitudinal stability and control parameters as determined from Space Shuttle Challenger flight test data

NASA Technical Reports Server (NTRS)

Suit, William T.

1989-01-01

Estimates of longitudinal stability and control parameters for the space shuttle were determined by applying a maximum likelihood parameter estimation technique to Challenger flight test data. The parameters for pitching moment coefficient, C(m sub alpha), (at different angles of attack), pitching moment coefficient, C(m sub delta e), (at different elevator deflections) and the normal force coefficient, C(z sub alpha), (at different angles of attack) describe 90 percent of the response to longitudinal inputs during Space Shuttle Challenger flights with C(m sub delta e) being the dominant parameter. The values of C(z sub alpha) were found to be input dependent for these tests. However, when C(z sub alpha) was set at preflight predictions, the values determined for C(m sub delta e) changed less than 10 percent from the values obtained when C(z sub alpha) was estimated as well. The preflight predictions for C(z sub alpha) and C(m sub alpha) are acceptable values, while the values of C(z sub delta e) should be about 30 percent less negative than the preflight predictions near Mach 1, and 10 percent less negative, otherwise.

Reliability of conventional shade guides in teeth color determination.

PubMed

Todorović, Ana; Todorović, Aleksandar; Gostović, Aleksandra Spadijer; Lazić, Vojkan; Milicić, Biljana; Djurisić, Slobodan

2013-10-01

Color matching in prosthodontic therapy is a very important task because it influences the esthetic value of dental restorations. Visual shade matching represents the most frequently applied method in clinical practice. Instrumental measurements provide objective and quantified data in color assessment of natural teeth and restorations. In instrumental shade analysis, the goal is to achieve the smallest deltaE value possible, indicating the most accurate shade match. The aim of this study was to evaluate the reliability of commercially available ceramic shade guides. VITA Easyshade spectrophotometer (VITA, Germany) was used for instrumental color determination. Utilizing this device, color samples of ten VITA Classical and ten VITA 3D - Master shade guides were analyzed. Each color sample from all shade guides was measured three times and the basic parameters of color quality were examined: deltaL, deltaC, deltaH, deltaE, deltaElc. Based on these parameters spectrophotometer marks the shade matching as good, fair or adjust. After performing 1,248 measurements of ceramic color samples, frequency of evaluations adjust, fair and good were statistically significantly different between VITA Classical and VITA 3D Master shade guides (p = 0.002). There were 27.1% cases scored as adjust, 66.3% as fair and 6.7% as good. In VITA 3D - Master shade guides 30.9% cases were evaluated as adjust, 66.4% as fair and 2.7% cases as good. Color samples from different shade guides, produced by the same manufacturer, show variability in basic color parameters, which once again proves the lack of precision and nonuniformity of the conventional method.

Population pharmacokinetic modeling of epoetin delta in pediatric patients with chronic kidney disease.

PubMed

Knebel, William; Palmen, Mary; Dowell, James A; Gastonguay, Marc

2008-07-01

This analysis quantifies the population pharmacokinetics of subcutaneous and intravenous epoetin delta, an epoetin produced in a human cell line, in pediatric patients with chronic kidney disease and estimates the effects of covariate factors on epoetin delta and epoetin alfa pharmacokinetic parameters. Erythropoietin serum concentration data, taken from a phase III study conducted in 60 patients aged 1 to 17 years, were best described by a 1-compartment model with first-order absorption and elimination. The typical point estimates were clearance (0.268 L/h), central volume of distribution (1.03 L), absorption rate constant (0.0554 h(-1)), and bioavailability (0.708) for a 35-kg male < or = 10 years who was predialysis and on subcutaneous epoetin delta treatment. Erythropoietin pharmacokinetic parameters were similar in pediatric patients as compared with adults when scaled by weight. The subcutaneous administration of epoetin alfa exhibited lower systemic bioavailability than subcutaneous administration of epoetin delta.

Bistable or oscillating state depending on station and temperature in three-station glycorotaxane molecular machines.

PubMed

Busseron, Eric; Romuald, Camille; Coutrot, Frédéric

2010-09-03

High-yield, straightforward synthesis of two- and three-station [2]rotaxane molecular machines based on an anilinium, a triazolium, and a mono- or disubstituted pyridinium amide station is reported. In the case of the pH-sensitive two-station molecular machines, large-amplitude movement of the macrocycle occurred. However, the presence of an intermediate third station led, after deprotonation of the anilinium station, and depending on the substitution of the pyridinium amide, either to exclusive localization of the macrocycle around the triazolium station or to oscillatory shuttling of the macrocycle between the triazolium and monosubstituted pyridinium amide station. Variable-temperature (1)H NMR investigation of the oscillating system was performed in CD(2)Cl(2). The exchange between the two stations proved to be fast on the NMR timescale for all considered temperatures (298-193 K). Interestingly, decreasing the temperature displaced the equilibrium between the two translational isomers until a unique location of the macrocycle around the monosubstituted pyridinium amide station was reached. Thermodynamic constants K were evaluated at each temperature: the thermodynamic parameters DeltaH and DeltaS were extracted from a Van't Hoff plot, and provided the Gibbs energy DeltaG. Arrhenius and Eyring plots afforded kinetic parameters, namely, energies of activation E(a), enthalpies of activation DeltaH( not equal), and entropies of activation DeltaS( not equal). The DeltaG values deduced from kinetic parameters match very well with the DeltaG values determined from thermodynamic parameters. In addition, whereas signal coalescence of pyridinium hydrogen atoms located next to the amide bond was observed at 205 K in the oscillating rotaxane and at 203 K in the two-station rotaxane with a unique location of the macrocycle around the pyridinium amide, no separation of (1)H NMR signals of the considered hydrogen atoms was seen in the corresponding nonencapsulated thread. It is suggested that the macrocycle acts as a molecular brake for the rotation of the pyridinium-amide bond when it interacts by hydrogen bonding with both the amide NH and the pyridinium hydrogen atoms at the same time.

Assessment of the Thermodynamic Properties of DL-p-Mentha-1,8-diene, 4-Isopropyl-1-Methylcyclohexene (DL-limonene) by Inverse Gas Chromatography (IGC).

PubMed

Farshchi, Negin; Abbasian, Ali; Larijani, Kambiz

2018-05-10

Limonene is a colorless liquid hydrocarbon and had been investigated as a plasticizer for many plastics. Prediction of solubility between different materials is an advantage in many ways, one of the most convenient ways to know the compatibility of materials is to determine the degree of solubility of them in each other. The concept of "solubility parameter" can help practitioners in this way.In this study, inverse gas chromatography (IGC) method at infinite dilution was used for determination of the thermodynamic properties of DL-p-mentha-1,8-diene, 4-Isopropyl-1-methylcyclohexene (DL-limonene). The interaction between DL-limonene and 13 solvents were examined in the temperature range of 63-123°C through the assessment of the thermodynamic sorption parameters, the parameters of mixing at infinite dilution, the weight fraction activity coefficient and the Flory-Huggins interaction parameters. Additionally, the solubility parameter for DL-limonene and the temperature dependence of these parameters was investigated as well.Results show that there is a temperature dependence in solubility parameter, which increases by decreasing temperature. However, there were no specific dependence between interaction parameters and temperature, but chemical structure appeared to have a significant effect on them as well as on the type and strength of intermolecular interactions between DL-limonene and investigated solvents. The solubility parameter δ2 of DL-limonene determined to be 19.20 (J/cm3)0.5 at 25°C.

Memory impairment in transgenic Alzheimer mice requires cellular prion protein.

PubMed

Gimbel, David A; Nygaard, Haakon B; Coffey, Erin E; Gunther, Erik C; Laurén, Juha; Gimbel, Zachary A; Strittmatter, Stephen M

2010-05-05

Soluble oligomers of the amyloid-beta (Abeta) peptide are thought to play a key role in the pathophysiology of Alzheimer's disease (AD). Recently, we reported that synthetic Abeta oligomers bind to cellular prion protein (PrP(C)) and that this interaction is required for suppression of synaptic plasticity in hippocampal slices by oligomeric Abeta peptide. We hypothesized that PrP(C) is essential for the ability of brain-derived Abeta to suppress cognitive function. Here, we crossed familial AD transgenes encoding APPswe and PSen1DeltaE9 into Prnp-/- mice to examine the necessity of PrP(C) for AD-related phenotypes. Neither APP expression nor Abeta level is altered by PrP(C) absence in this transgenic AD model, and astrogliosis is unchanged. However, deletion of PrP(C) expression rescues 5-HT axonal degeneration, loss of synaptic markers, and early death in APPswe/PSen1DeltaE9 transgenic mice. The AD transgenic mice with intact PrP(C) expression exhibit deficits in spatial learning and memory. Mice lacking PrP(C), but containing Abeta plaque derived from APPswe/PSen1DeltaE9 transgenes, show no detectable impairment of spatial learning and memory. Thus, deletion of PrP(C) expression dissociates Abeta accumulation from behavioral impairment in these AD mice, with the cognitive deficits selectively requiring PrP(C).

Polymer Inverse Temperature-Dependent Solubility: A Visual Demonstration of the Importance of "T[Delta]S" in the Gibbs Equation

ERIC Educational Resources Information Center

Bergbreiter, David E.; Mijalis, Alexander J.; Fu, Hui

2012-01-01

Reversible polymer dehydration and precipitation from water due to the unfavorable entropy of hydration is examined using a melting-point apparatus. The thermoresponsive lower critical solution temperature (LCST) behavior of poly(N-isopropylacrylamide) (PNIPAM) is responsible for these effects. An experiment is described that allows students to…

Hydrochemical water evolution in the Aral Sea Basin. Part I: Unconfined groundwater of the Amu Darya Delta - Interactions with surface waters

NASA Astrophysics Data System (ADS)

Schettler, Georg; Oberhänsli, Hedi; Stulina, Galina; Mavlonov, Aslon A.; Naumann, Rudolf

2013-07-01

The Aral Sea, which has been affected by lake level lowering of approximately 25 m and a salinity increase from 10 to >100 g/l since 1963, represents, along with the Amu Dary Delta a dynamic hydrological system under an arid climate regime. The system receives river water inflow at high seasonal and inter-annual variability from remote alpine source areas. In the Amu Darya Delta, there is a distinct salinity contrast between the low-salinity river water (∼1 g/l) and the salinity of the unconfined GW (GWunconf: 10-95 g/l). The GWunconf levels are predominantly controlled by the seepage of the river water inflow and GW discharge into the shrinking Aral Sea. In June 2009 and August 2009, we sampled water from various sources including surface waters, GWunconf, lake water and soil leachates for chemical analyses. Evaporative enrichment, precipitation/dissolution of gypsum and precipitation of calcite drive the GWunconf to an NaCl(SO4) water type presenting a positive correlation between Na and SO4. We model the hydrochemical evolution of the GWunconf in a box model which considers the capillary rise of near-surface GW, the precipitation of minerals in the unsaturated horizon and the seasonal re-flushing of adhesive residual brines and soluble salts. The model documents a rapid increase in salinity over a few annual cycles. Furthermore, the model simulations demonstrate the importance of the aeolian redistribution of soluble salts on the hydrochemical GW evolution. In a lab experiment, halite, hexahydrite and starkeyite are precipitated during the late stages of evaporative enrichment from a representative local brine. Processes specific to different water compartments plausibly explain the variations of selected element ratios. For example, the precipitation of low-Sr calcite in irrigation canals and natural river branches of the delta lowers Ca/Sr. The dissolution of gypsum in soils (Ca/Sr mole ratio ∼ 150) and the possible precipitation of SrSO4 associated with Sr-depletion in adhesive residual brines increases Ca/Sr in seepage and re-increases Ca/Sr in the unconfined GW. Aral Sea water, which receives high-Ca/Sr surface and groundwater inflow, developed due to continued precipitation of high-Ca/Sr calcite the almost lowest Ca/Sr ratio (∼25) over time. We observed spatial variations in the GWunconf composition: (i) ammonium levels increase strongly due to interaction with lake sediments rich in organic matter and (ii) distinct increases in levels of nitrate, U, Mo and Se locally reflect oxygenation when GW levels decrease. The Amu Darya Delta acts as a sink for boron (uptake via terrestrial vegetation) and a source for bromide (release by degradation of organically-bound Br). Our results concerning the hydrochemical evolution of the GWunconf and additional data from the Aral Sea constrain the parameter ‘GW discharge’ in water budget models of the lake and improve the basis for palaeoclimatic interpretations of sediment records from the Aral Sea.

Advanced materials for 193-nm resists

NASA Astrophysics Data System (ADS)

Ushirogouchi, Tohru; Asakawa, Koji; Shida, Naomi; Okino, Takeshi; Saito, Satoshi; Funaki, Yoshinori; Takaragi, Akira; Tsutsumi, Kentaro; Nakano, Tatsuya

2000-06-01

Acrylate monomers containing alicyclic side chains featuring a series of polar substituent groups were assumed to be model compounds. Solubility parameters were calculated for the corresponding acrylate polymers. These acrylate monomers were synthesized using a novel aerobic oxidation reaction employing N-hydroxyphtalimide (NHPI) as a catalyst, and then polymerized. These reactions were confirmed to be applicable for the mass-production of those compounds. The calculation results agreed with the hydrophilic parameters measured experimentally. Moreover, the relationship between the resist performance and the above-mentioned solubility parameter has been studied. As a result, a correlation between the resist performance and the calculated solubility parameter was observed. Finally, resolution of 0.13-micron patterns, based on the 1G DRAM design rule, could be successfully fabricated by optimizing the solubility parameter and the resist composition.

Creep crack-growth: A new path-independent T sub o and computational studies

NASA Technical Reports Server (NTRS)

Stonesifer, R. B.; Atluri, S. N.

1981-01-01

Two path independent integral parameters which show some degree of promise as fracture criteria are the C* and delta T sub c integrals. The mathematical aspects of these parameters are reviewed. This is accomplished by deriving generalized vector forms of the parameters using conservation laws which are valid for arbitrary, three dimensional, cracked bodies with crack surface tractions (or applied displacements), body forces, inertial effects and large deformations. Two principal conclusions are that delta T sub c is a valid crack tip parameter during nonsteady as well as steady state creep and that delta T sub c has an energy rate interpretation whereas C* does not. An efficient, small displacement, infinitestimal strain, displacement based finite element model is developed for general elastic/plastic material behavior. For the numerical studies, this model is specialized to two dimensional plane stress and plane strain and to power law creep constitutive relations.

Computer-aided method for the determination of Hansen solubility parameters. Application to the miscibility of refrigerating lubricant and new refrigerant

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

Remigy, J.C.; Nakache, E.; Brechot, P.D.

This article presents a method which allows one to find the Hansen solubility parameters by means of data processing. In the first part, the authors present the thermodynamical principle of Hansen parameters, and then they explain the model used to find parameters from experimental data. They validate the method by studying the solubility parameters of CFC-12 (dichlorodifluoromethane), HFC-134a (1,1,1,2-tetrafluoroethane), neopentylglycol esters, trimethylolpropane esters, dipentaerythritol esters, and pentaerythritol esters. Then, the variation of Hansen parameters are studied as well as the relation between the miscibility temperature (the temperature at which a blend passes from the miscible state to the immiscible state)more » and the interaction distance. The authors establish the critical interaction distance of HFC-134a which determines the solubility limit and they study its variation with temperature.« less

Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.

PubMed

Tromelin, Anne; Andriot, Isabelle; Kopjar, Mirela; Guichard, Elisabeth

2010-04-14

Thermodynamic parameters (T, DeltaH degrees , DeltaS degrees , K) were collected from the literature and/or calculated for five esters, four ketones, two aldehydes, and three alcohols, pure compounds and compounds in aqueous solution. Examination of correlations between these parameters and the range values of DeltaH degrees and DeltaS degrees puts forward the key roles of enthalpy for vaporization of pure compounds and of entropy in liquid-vapor equilibrium of compounds in aqueous solution. A structure-property relationship (SPR) study was performed using molecular descriptors on aroma compounds to better understand their vaporization behavior. In addition to the role of polarity for vapor-liquid equilibrium of compounds in aqueous solution, the structure-property study points out the role of chain length and branching, illustrated by the correlation between the connectivity index CHI-V-1 and the difference between T and log K for vaporization of pure compounds and compounds in aqueous solution. Moreover, examination of the esters' enthalpy values allowed a probable conformation adopted by ethyl octanoate in aqueous solution to be proposed.

Stable sulfur isotope hydrogeochemical studies using desert shrubs and tree rings, Death Valley, California, USA

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

Yang, Wenbo; Spencer, R.J.; Krouse, H.R.

1996-08-01

The {delta}{sup 34}S values of two dominant xerophytes, Atriplex hymenehytra and Larrea tridentata, in Death Valley, California, vary similarly from +7 to +18{per_thousand}, corresponding isotopically to sulfate in the water supplies at a given location. Going radially outwards, tree ring data from a phreatophyte tree, Tamarix aphylla, show a distinct time dependence, with {delta}{sup 34}S values increasing from +13.5 to +18{per_thousand} for soluble sulfate and from +12 to +17% for total sulfur. These data are interpreted in terms of sulfur sources, water sources and flow paths, and tree root growth. 32 refs., 3 figs., 3 tabs.

Sensitivity of postplanning target and OAR coverage estimates to dosimetric margin distribution sampling parameters

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

Xu Huijun; Gordon, J. James; Siebers, Jeffrey V.

2011-02-15

Purpose: A dosimetric margin (DM) is the margin in a specified direction between a structure and a specified isodose surface, corresponding to a prescription or tolerance dose. The dosimetric margin distribution (DMD) is the distribution of DMs over all directions. Given a geometric uncertainty model, representing inter- or intrafraction setup uncertainties or internal organ motion, the DMD can be used to calculate coverage Q, which is the probability that a realized target or organ-at-risk (OAR) dose metric D{sub v} exceeds the corresponding prescription or tolerance dose. Postplanning coverage evaluation quantifies the percentage of uncertainties for which target and OAR structuresmore » meet their intended dose constraints. The goal of the present work is to evaluate coverage probabilities for 28 prostate treatment plans to determine DMD sampling parameters that ensure adequate accuracy for postplanning coverage estimates. Methods: Normally distributed interfraction setup uncertainties were applied to 28 plans for localized prostate cancer, with prescribed dose of 79.2 Gy and 10 mm clinical target volume to planning target volume (CTV-to-PTV) margins. Using angular or isotropic sampling techniques, dosimetric margins were determined for the CTV, bladder and rectum, assuming shift invariance of the dose distribution. For angular sampling, DMDs were sampled at fixed angular intervals {omega} (e.g., {omega}=1 deg., 2 deg., 5 deg., 10 deg., 20 deg.). Isotropic samples were uniformly distributed on the unit sphere resulting in variable angular increments, but were calculated for the same number of sampling directions as angular DMDs, and accordingly characterized by the effective angular increment {omega}{sub eff}. In each direction, the DM was calculated by moving the structure in radial steps of size {delta}(=0.1,0.2,0.5,1 mm) until the specified isodose was crossed. Coverage estimation accuracy {Delta}Q was quantified as a function of the sampling parameters {omega} or {omega}{sub eff} and {delta}. Results: The accuracy of coverage estimates depends on angular and radial DMD sampling parameters {omega} or {omega}{sub eff} and {delta}, as well as the employed sampling technique. Target |{Delta}Q|<1% and OAR |{Delta}Q|<3% can be achieved with sampling parameters {omega} or {omega}{sub eff}=20 deg., {delta}=1 mm. Better accuracy (target |{Delta}Q|<0.5% and OAR |{Delta}Q|<{approx}1%) can be achieved with {omega} or {omega}{sub eff}=10 deg., {delta}=0.5 mm. As the number of sampling points decreases, the isotropic sampling method maintains better accuracy than fixed angular sampling. Conclusions: Coverage estimates for post-planning evaluation are essential since coverage values of targets and OARs often differ from the values implied by the static margin-based plans. Finer sampling of the DMD enables more accurate assessment of the effect of geometric uncertainties on coverage estimates prior to treatment. DMD sampling with {omega} or {omega}{sub eff}=10 deg. and {delta}=0.5 mm should be adequate for planning purposes.« less

Sensitivity of postplanning target and OAR coverage estimates to dosimetric margin distribution sampling parameters.

PubMed

Xu, Huijun; Gordon, J James; Siebers, Jeffrey V

2011-02-01

A dosimetric margin (DM) is the margin in a specified direction between a structure and a specified isodose surface, corresponding to a prescription or tolerance dose. The dosimetric margin distribution (DMD) is the distribution of DMs over all directions. Given a geometric uncertainty model, representing inter- or intrafraction setup uncertainties or internal organ motion, the DMD can be used to calculate coverage Q, which is the probability that a realized target or organ-at-risk (OAR) dose metric D, exceeds the corresponding prescription or tolerance dose. Postplanning coverage evaluation quantifies the percentage of uncertainties for which target and OAR structures meet their intended dose constraints. The goal of the present work is to evaluate coverage probabilities for 28 prostate treatment plans to determine DMD sampling parameters that ensure adequate accuracy for postplanning coverage estimates. Normally distributed interfraction setup uncertainties were applied to 28 plans for localized prostate cancer, with prescribed dose of 79.2 Gy and 10 mm clinical target volume to planning target volume (CTV-to-PTV) margins. Using angular or isotropic sampling techniques, dosimetric margins were determined for the CTV, bladder and rectum, assuming shift invariance of the dose distribution. For angular sampling, DMDs were sampled at fixed angular intervals w (e.g., w = 1 degree, 2 degrees, 5 degrees, 10 degrees, 20 degrees). Isotropic samples were uniformly distributed on the unit sphere resulting in variable angular increments, but were calculated for the same number of sampling directions as angular DMDs, and accordingly characterized by the effective angular increment omega eff. In each direction, the DM was calculated by moving the structure in radial steps of size delta (=0.1, 0.2, 0.5, 1 mm) until the specified isodose was crossed. Coverage estimation accuracy deltaQ was quantified as a function of the sampling parameters omega or omega eff and delta. The accuracy of coverage estimates depends on angular and radial DMD sampling parameters omega or omega eff and delta, as well as the employed sampling technique. Target deltaQ/ < l% and OAR /deltaQ/ < 3% can be achieved with sampling parameters omega or omega eef = 20 degrees, delta =1 mm. Better accuracy (target /deltaQ < 0.5% and OAR /deltaQ < approximately 1%) can be achieved with omega or omega eff = 10 degrees, delta = 0.5 mm. As the number of sampling points decreases, the isotropic sampling method maintains better accuracy than fixed angular sampling. Coverage estimates for post-planning evaluation are essential since coverage values of targets and OARs often differ from the values implied by the static margin-based plans. Finer sampling of the DMD enables more accurate assessment of the effect of geometric uncertainties on coverage estimates prior to treatment. DMD sampling with omega or omega eff = 10 degrees and delta = 0.5 mm should be adequate for planning purposes.

Heavy metals in oysters, mussels and clams collected from coastal sites along the Pearl River Delta, South China.

PubMed

Fang, Zhan-Qiang; Cheung, R Y H; Wong, M H

2003-01-01

Concentrations of 8 heavy metals: cadmium (Cd), copper (Cu), zinc (Zn), lead (Pb), nickel (Ni), chromium (Cr), antimony (Sb) and tin (Sn) were examined in 3 species of bivalves ( Perna viridis, Crassostrea rivularis and Ruditapes philippinarum) collected from 25 sites along the Pearl River Delta coastal waters in the South China Sea from July to August 1996. In general, Cd, Cu, Zn and Sn concentrations in the three bivalve species collected from the Estuarine Zone were significantly higher than those collected from the Western and Eastern Zones of the Pearl River Delta, which are related to the existence of various anthropogenic activities in the catchment of the Pearl River Delta. The Western Estuarine Zone is mainly impacted hy Cr, Ni and Cu contamination. In Victoria Harbor, heavy metal contamination is mainly due to Cu and Pb, Cd, Cu and Zn concentrations in oysters were significantly higher than those in mussels and clams. This could be explained by the fact that oysters live mainly in the Estuarine Zone of the Pearl River Delta which receives most of the polluting discharges from the catchment of the Delta. During turbid condition, heavy metals( soluble or adsorbed on suspended particulates) discharged from the Delta are filtered from the water column and subsequently accumulated into the soft body tissues of oysters. Heavy metal concentrations in the three bivalve species were compared with the maximum permissible levels of heavy metals in seafood regulated by the Public Health and Municipal Services Ordinance, Laws of Hong Kong, and it was revealed that Cd and Cr concentrations in the three bivalve species exceeded the upper limits. At certain hotspots in the Delta, the maximum acceptable daily load for Cd was also exceeded.

Internal hydraulic loss in a seal-less centrifugal Gyro pump.

PubMed

Makinouchi, K; Ohara, Y; Sakuma, I; Damm, G; Mizuguchi, K; Jikuya, T; Takatani, S; Noon, G P; Nosé, Y

1994-01-01

A new index "loss factor Z" defined by Eq. 1 was introduced as the absolute expression of the mock loop resistance for testing a nonpulsatile pump. [formula: see text] where gamma is specific gravity of the fluid, g is the acceleration of gravity, delta P is total pressure head, and Q is flow. Z is expected to be constant, regardless of the pumping parameters. Z values obtained in the same mock loop but with different rotary blood pumps were almost identical and were defined as Z0. New methods of analysis of the flow-restrictive conditions of various rotary blood pumps are proposed in this paper: namely, differential loss factor delta Z, and loss factor sensitivity delta Z/delta A. The proposed Z-Q curves demonstrated better performance mapping than the conventional delta P-Q curves. Delta Z is the difference between the Z-Q curves of two different pumps. A is a design parameter of the pump; therefore delta Z/delta A is a quantitative expression of the effect of the design change on the hydraulic performance. These various indices were used to analyze the internal hydraulic loss of a centrifugal pump (Gyro pump). The relationship between its gap size (rotor casing) and hydraulic performance was assessed quantitatively by these indices. In this paper, the derivation processes and above-mentioned indices are described.

A method for estimating both the solubility parameters and molar volumes of liquids

NASA Technical Reports Server (NTRS)

Fedors, R. F.

1974-01-01

Development of an indirect method of estimating the solubility parameter of high molecular weight polymers. The proposed method of estimating the solubility parameter, like Small's method, is based on group additive constants, but is believed to be superior to Small's method for two reasons: (1) the contribution of a much larger number of functional groups have been evaluated, and (2) the method requires only a knowledge of structural formula of the compound.

ASTEROSEISMOLOGY OF RED GIANTS FROM THE FIRST FOUR MONTHS OF KEPLER DATA: GLOBAL OSCILLATION PARAMETERS FOR 800 STARS

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

Huber, D.; Bedding, T. R.; Stello, D.

2010-11-10

We have studied solar-like oscillations in {approx}800 red giant stars using Kepler long-cadence photometry. The sample includes stars ranging in evolution from the lower part of the red giant branch to the helium main sequence. We investigate the relation between the large frequency separation ({Delta}{nu}) and the frequency of maximum power ({nu}{sub max}) and show that it is different for red giants than for main-sequence stars, which is consistent with evolutionary models and scaling relations. The distributions of {nu}{sub max} and {Delta}{nu} are in qualitative agreement with a simple stellar population model of the Kepler field, including the first evidencemore » for a secondary clump population characterized by M {approx}> 2 M{sub sun} and {nu}{sub max} {approx_equal} 40-110 {mu}Hz. We measured the small frequency separations {delta}{nu}{sub 02} and {delta}{nu}{sub 01} in over 400 stars and {delta}{nu}{sub 03} in over 40. We present C-D diagrams for l = 1, 2, and 3 and show that the frequency separation ratios {delta}{nu}{sub 02}/{Delta}{nu} and {delta}{nu}{sub 01}/{Delta}{nu} have opposite trends as a function of {Delta}{nu}. The data show a narrowing of the l = 1 ridge toward lower {nu}{sub max}, in agreement with models predicting more efficient mode trapping in stars with higher luminosity. We investigate the offset {epsilon} in the asymptotic relation and find a clear correlation with {Delta}{nu}, demonstrating that it is related to fundamental stellar parameters. Finally, we present the first amplitude-{nu}{sub max} relation for Kepler red giants. We observe a lack of low-amplitude stars for {nu}{sub max} {approx}> 110 {mu}Hz and find that, for a given {nu}{sub max} between 40 and 110 {mu}Hz, stars with lower {Delta}{nu} (and consequently higher mass) tend to show lower amplitudes than stars with higher {Delta}{nu}.« less

Improved phase-ellipse method for in-situ geophone calibration.

USGS Publications Warehouse

Liu, Huaibao P.; Peselnick, L.

1986-01-01

For amplitude and phase response calibration of moving-coil electromagnetic geophones 2 parameters are needed, namely the geophone natural frequency, fo, and the geophone upper resonance frequency fu. The phase-ellipse method is commonly used for the in situ determination of these parameters. For a given signal-to-noise ratio, the precision of the measurement of fo and fu depends on the phase sensitivity, f(delta PHI/delta PHIf). For some commercial geophones (f(delta PHI/delta PHI) at fu can be an order of magnitude less than the sensitivity at fo. Presents an improved phase-ellipse method with increased precision. Compared to measurements made with the existing phase-ellipse methods, the method shows a 6- and 3-fold improvement in the precision, respectively, on measurements of fo and fu on a commercial geophone.-from Authors

Relations between Municipal Water Use and Selected Meteorological Parameters and Drought Indices, East-Central and Northeast Florida

USGS Publications Warehouse

Murray, Louis C.

2009-01-01

Water-use data collected between 1992 and 2006 at eight municipal water-supply utilities in east-central and northeast Florida were analyzed to identify seasonal trends in use and to quantify monthly variations. Regression analyses were applied to identify significant correlations between water use and selected meteorological parameters and drought indices. Selected parameters and indices include precipitation (P), air temperature (T), potential evapotranspiration (PET), available water (P-PET), monthly changes in these parameters (Delta P, Delta T, Delta PET, Delta(P-PET), the Palmer Drought Severity Index (PDSI), and the Standardized Precipitation Index (SPI). Selected utilities include the City of Daytona Beach (Daytona), the City of Eustis (Eustis), Gainesville Regional Utilities (GRU), Jacksonville Electric Authority (JEA), Orange County Utilities (OCU), Orlando Utilities Commission (OUC), Seminole County Utilities (SCU), and the City of St. Augustine (St. Augustine). Water-use rates at these utilities in 2006 ranged from about 3.2 million gallons per day at Eustis to about 131 million gallons per day at JEA. Total water-use rates increased at all utilities throughout the 15-year period of record, ranging from about 4 percent at Daytona to greater than 200 percent at OCU and SCU. Metered rates, however, decreased at six of the eight utilities, ranging from about 2 percent at OCU and OUC to about 17 percent at Eustis. Decreases in metered rates occurred because the number of metered connections increased at a greater rate than did total water use, suggesting that factors other than just population growth may play important roles in water-use dynamics. Given the absence of a concurrent trend in precipitation, these decreases can likely be attributed to changes in non-climatic factors such as water-use type, usage of reclaimed water, water-use restrictions, demographics, and so forth. When averaged for the eight utilities, metered water-use rates depict a clear seasonal pattern in which rates were lowest in the winter and greatest in the late spring. Averaged water-use rates ranged from about 9 percent below the 15-year daily mean in January to about 11 percent above the daily mean in May. Water-use rates were found to be statistically correlated to meteorological parameters and drought indices, and to be influenced by system memory. Metered rates (in gallons per day per active metered connection) were consistently found to be influenced by P, T, PET, and P-PET and changes in these parameters that occurred in prior months. In the single-variant analyses, best correlations were obtained by fitting polynomial functions to plots of metered rates versus moving-averaged values of selected parameters (R2 values greater than 0.50 at three of eight sites). Overall, metered water-use rates were best correlated with the 3- to 4-month moving average of Delta T or Delta PET (R2 values up to 0.66), whereas the full suite of meteorological parameters was best correlated with metered rates at Daytona and least correlated with rates at St. Augustine. Similarly, metered rates were substantially better correlated with moving-averaged values of precipitation (significant at all eight sites) than with single (current) monthly values (significant at only three sites). Total and metered water-use rates were positively correlated with T, PET, Delta P, Delta T, and Delta PET, and negatively correlated with P, P-PET, Delta (P-PET), PDSI, and SPI. The drought indices were better correlated with total water-use rates than with metered rates, whereas metered rates were better correlated with meteorological parameters. Multivariant analyses produced fits of the data that explained a greater degree of the variance in metered rates than did the single-variant analyses. Adjusted R2 values for the 'best' models ranged from 0.79 at JEA to 0.29 at St. Augustine and exceeded 0.60 at five of eight sites. The amount of available water (P-PET) was the si

Kinetics and Thermochemistry of the Cl((sup 2)P(sub J)) + C2Cl4 Association Reaction

NASA Technical Reports Server (NTRS)

Nicovich, J. M.; Wang, S.; Mckee, M. L.; Wine, P. H.

1997-01-01

A laser flash photolysis-resonance fluorescence technique has been employed to study the kinetics of the Cl(sup 2)P(sub j) + C2Cl4 association reaction as a function of temperature (231-390 K) and pressure (3-700 Torr) in nitrogen buffer gas. The reaction is found to be in the falloff regime between third and second order over the range of conditions investigated, although the second-order limit is approached at the highest pressures and lowest temperatures. At temperatures below 300 K, the association reaction is found to be irreversible on the experimental time scale of approximately 20 m-s. The kinetic data at T is less than 300 K have been employed to obtain falloff parameters in a convenient format for atmospheric modeling. At temperatures above 330 K, reversible addition is observed, thus allowing equilibrium constants for C2Cl5 formation and dissociation to be determined. Second- and third-law analyses of the equilibrium data lead to the following thermochemical parameters for the association reaction: Delta-H(298) = -18.1 +/- 1.3 kcal/mol, Delta-H(0) = -17.6 +/- 1.3 kcal/mol, and Delta-S(298) = -27.7 +/- 3.0 cal/mol.K. In conjunction with the well-known heats of formation of Cl((sup 2)P(sub j)) and C2Cl4 the above Delta-H values lead to the following heats of formation for C2Cl5, at 298 and 0 K: Delta-H(f,298) = 8.0 +/- 1.3 kcal/mol and Delta-H(f,0) = 8.1 +/- 1.5 kcal/mol. The kinetic and thermochemical parameters reported above are compared with other reported values, and the significance of reported association rate coefficients for understanding tropospheric chlorine chemistry is discussed.

Rotational spectrum of NSF3 in the ground and v5 = 1 vibrational states: observation of Q-branch perturbation-allowed transitions with delta(k - l) = 0, +/-3, +/-6 and anomalies in the rovibrational structure of the v5 = 1 state.

PubMed

Macholl, Sven; Mäder, Heinrich; Harder, Hauke; Margulès, Laurent; Dréan, Pascal; Cosléou, Jean; Demaison, Jean; Pracna, Petr

2009-01-29

The rotational spectrum of NSF3 in the ground and v5 = 1 vibrational states has been investigated in the centimeter- and millimeter-wave ranges. R-branch (J + 1 <-- J) transitions for J = 0, 1 and Q-branch rotational transitions for the v5 = 1 vibrational state have been measured by waveguide Fourier transform microwave spectroscopy in the range 8-26.5 GHz. The Q-branch transitions include 28 direct l-type doubling transitions (kl = +1, A1) <--> (kl = +1, A2) with J < or = 62, and 108 direct l-type resonance transitions following the selection rule delta k = delta l = +/-2 with J < or = 60 and G = |k - l| < or = 3. A process called "regional resonance" was observed in which a cluster of levels interacted strongly over a large range in J. This process led to the observation of 55 perturbation-allowed transitions following the selection rules delta(k - l) = +/-3, +/-6. In particular, (kl = +1, A+) <--> (kl = -2, A-), (kl = +4, A+) <--> (kl = +1, A-), (kl = +2) <--> (kl = -1), (kl = +3) <--> (kl = 0), (kl = +2) <--> (kl = -3), and (kl = +3) <--> (kl = -3). The various aspects of the regional resonances are discussed in detail. An accidental near-degeneracy of the kl = 0 and kl = -4 levels at J = 26/27 led to the observation of perturbation-allowed transitions following the selection rule delta(k-l) = +/-6 with (kl = +2) <--> (kl = -4). A corresponding near-degeneracy between kl = -1 and kl = -3 levels at J = 30/31 led to the detection of similar transitions, but with (kl = +3) <--> (kl = -3). In the range 230-480 GHz, R-branch rotational transitions have been measured by absorption spectroscopy up to J = 49 in the ground-state and up to J = 50 in the v5 = 1 vibrational state. The transition frequencies have been analyzed using various reduced forms of the effective Hamiltonians. The data for the v5 = 1 vibrational state have been fitted successfully using two models up to seventh order with delta k = +/-3 interaction parameters constrained (dt constrained to zero, and epsilon to zero or to the ground-state value). On the other hand, reductions with the (delta k = +/-1, deltal = -/+2) interaction parameter q12 fixed to zero failed to reproduce the experimental data since the parameters defining the reduction transformation do not arise in the correct order of magnitude. The ground-state data have been analyzed including parameters up to fourth order constraining either parameters of the delta k = +/-3 interactions to zero (reduction A), or of the delta k = +/-6 interactions to zero (reduction B). The unitary equivalence of the different parameter sets obtained is demonstrated for both vibrational states.

Impact of diagenetic alteration on sea urchin (Echinodermata) magnesium isotope signatures: Comparison of experimental and fossil data

NASA Astrophysics Data System (ADS)

Riechelmann, Sylvia; Mavromatis, Vasileios; Buhl, Dieter; Dietzel, Martin; Hoffmann, René; Jöns, Niels; Eisenhauer, Anton; Immenhauser, Adrian

2017-04-01

Due to their thermodynamically instable high-Mg calcite mineralogy, the skeletal elements of echinoderms are often regarded as unreliable archives of Phanerozoic marine climate dynamics. Nevertheless, traditional and non-traditional isotope and elemental proxy data from echinoderms have been used to reconstruct global changes in palaeoseawater composition (Sandberg-cycles). Recently, these data and the interpretation have been controversially discussed in context with ancient seawater properties. This paper tests the sensitivity of echinoderm skeletal hardparts, specifically sea urchin spines to diagenetic alteration based on magnesium isotope data. We apply a dual approach by: (i) performing hydrothermal alteration experiments using meteoric, marine, and burial reactive fluids; and (ii) comparing these data with fossil sea urchin hardparts. The degree of alteration of experimentally altered and fossil sea urchin hardparts is assessed by a combination of optical (fluorescence, cathodoluminescence (CL), scanning electron microscopy (SEM)) and geochemical tools (elemental distribution, carbon, oxygen and magnesium isotopes). Although initial fluid chemistry of the experiments did not allow the detection of diagenetic overprint by elemental distribution (Fe, Mn) and cathodoluminescence, other tools such as fluorescence, SEM, delta18O, Mg concentration and delta26Mg display alteration effects, which respond to differential fluid temperature, chemistry, and experiment duration time. At experiments run under meteoric conditions with no Mg in the initial fluid, the solid is enriched in the heavier Mg isotopomer due to preferential dissolution of the lighter isotope. In contrast, initial burial and marine fluids have medium to high Mg concentrations. There, the Mg concentration and the delta26Mg values of the altered sea urchin spines increase. Fossil sea urchin hardparts display partly very strong diagenetic overprint as observed by their elemental distribution, cathodoluminescence, delta18O, Mg elemental concentration and delta26Mg. The absence of luminescence might indicate both well-preserved sea urchin spines, but also the secondary enrichment of quenching elements such as iron along diagenetic pathways. The relation between Mg concentration and delta26Mg of the experimentally altered sea urchin spines is in agreement with observations from fossil spines, which also display a 26Mg-enrichment of the solid phase. There, it seems that with increasing degree of alteration, an increase in Mg concentration and delta26Mg occurs. Hence, the experiments performed in this study seem to reflect diagenetic processes under natural conditions. However, the patterns observed are complicated by the interplay of kinetic and thermodynamic processes and the presence of variable amounts of water soluble and water insoluble organic matter within these biominerals. Due to (i) a natural inter- and intra-species variability of the Mg concentration and Mg isotopic composition throughout the echinoderm skeleton and (ii) the fractionation of Mg isotopes during the transformation of ACC as a precursor phase to calcite, the use of delta26Mg values of sea urchin hardparts as a proxy for past seawater delta26Mg is deemed unsuitable. In general, the data shown here are considered significant for those aiming to reconstruct palaeoenvironmental parameters based on echinoderm archives.

Modeling of the Ebola Virus Delta Peptide Reveals a Potential Lytic Sequence Motif

PubMed Central

Gallaher, William R.; Garry, Robert F.

2015-01-01

Filoviruses, such as Ebola and Marburg viruses, cause severe outbreaks of human infection, including the extensive epidemic of Ebola virus disease (EVD) in West Africa in 2014. In the course of examining mutations in the glycoprotein gene associated with 2014 Ebola virus (EBOV) sequences, a differential level of conservation was noted between the soluble form of glycoprotein (sGP) and the full length glycoprotein (GP), which are both encoded by the GP gene via RNA editing. In the region of the proteins encoded after the RNA editing site sGP was more conserved than the overlapping region of GP when compared to a distant outlier species, Tai Forest ebolavirus. Half of the amino acids comprising the “delta peptide”, a 40 amino acid carboxy-terminal fragment of sGP, were identical between otherwise widely divergent species. A lysine-rich amphipathic peptide motif was noted at the carboxyl terminus of delta peptide with high structural relatedness to the cytolytic peptide of the non-structural protein 4 (NSP4) of rotavirus. EBOV delta peptide is a candidate viroporin, a cationic pore-forming peptide, and may contribute to EBOV pathogenesis. PMID:25609303

Design of lipid-based delivery systems for improving lymphatic transport and bioavailability of delta-tocopherol and nobiletin

NASA Astrophysics Data System (ADS)

Xia, Chunxin

Lymphatic drug transport can confer bioavailability advantage by avoiding the first-pass metabolism normally observed in the portal vein hepatic route. It was reported that long chain lipid-based delivery systems can stimulate the formation of chylomicron and thus promote the lymphatic transport of drugs. In this study, a novel delta-tocopherol (delta-T) loaded Solid Lipid Nanoparticle (SLN) system was developed to investigate its effect on promoting the lymphatic transport of delta-T. The delta-T SLN was prepared with hot melt emulsification method by using glyceryl behenate (compritol RTM888) as the lipid phase and lecithin (PC75) as the emulsifier. Formula configuration, processing condition and loading capacity were carefully optimized. Physicochemical properties (particle size, surface charge, morphology) were also characterized. Moreover, excellent stability of the developed delta-T SLN in the gastrointestinal environment was observed by using an in vitro digestion model. Further investigations of the SLN in stimulating delta-T lymphatic transport were performed on mice without cannulation. Compared with the control group (delta-T corn oil dispersion), much lower delta-T levels in both blood and liver indicated reduced portal vein and hepatic transport of delta-T in the form of SLN. On the other hand, significantly higher concentrations of delta-T were observed in thymus, a major lymphatic tissue, indicating improved lymphatic transport of delta-T with the SLN delivery system. Finally, the far less excreted delta-T level in feces further confirmed improved lymphatic transport and overall bioavailability of delta-T by using SLN system. Nobiletin (NOB), one of most abundant polymethoxyflavones (PMFs) found in Citrus genus, has a low solubility in both water and oil at ambient temperatures. Thus it tends to form crystals when the loading exceeds its saturation level in the carrier system. This character greatly impaired its bioavailability and application. To overcome these problems, an O/W nanoemulsion was developed for NOB delivery with the presence of cremophor EL (a polyethoxylated excipient). The developed formulation can achieve a high NOB loading (0.5 wt%) with significantly reduced crystallinity and excellent physical stability. NOB's bioaccessibility and permeation rate across the enterocytes were demonstrated to be significantly improved by the in vitro digestion model and Caco-2 cell monolayer, respectively. It is thus predictable that NOB's bioavailability can be improved with our developed nanoemulsion formulation.

Solid and liquid heat capacities of n-alkyl para-aminobenzoates near the melting point.

PubMed

Neau, S H; Flynn, G L

1990-11-01

The expression that relates the ideal mole fraction solubility of a crystalline compound to physicochemical properties of the compound includes a term involving the difference in the heat capacities of the solid and liquid forms of the solute, delta Cp. There are two alternate conventions which are employed to eliminate this term. The first assumes that the term involving delta Cp, or delta Cp itself, is zero. The alternate assumption assigns the value of the entropy of fusion to the differential heat capacity. The relative validity of these two assumptions was evaluated using the straight-chain alkyl para-aminobenzoates as test compounds. The heat capacities of the solid and liquid forms of each of the para-aminobenzoates, near the respective melting point, were determined by differential scanning calorimetry. The data lead one to conclude that the assumption that the differential heat capacity is not usually negligible and is better approximated by the entropy of fusion.

Leeward flow over delta wings at supersonic speeds

NASA Technical Reports Server (NTRS)

Szodruch, J. G.

1980-01-01

A survey was made of the parameters affecting the development of the leeward symmetric separated flow over slender delta wings immersed in a supersonic stream. The parameters included Mach number, Reynolds number, angle of attack, leading-edge sweep angle, and body cross-sectional shape, such that subsonic and supersonic leading-edge flows are encountered. It was seen that the boundaries between the various flow regimes existing about the leeward surface may conveniently be represented on a diagram with the components of angle of attack and Mach number normal to the leading edge as governing parameters.

Isotopic analyses of nitrogenous compounds from the Murchison meteorite: ammonia, amines, amino acids, and polar hydrocarbons

NASA Technical Reports Server (NTRS)

Pizzarello, S.; Feng, X.; Epstein, S.; Cronin, J. R.

1994-01-01

The combined volatile bases (ammonia, aliphatic amines, and possibly other bases), ammonia, amino acids, and polar hydrocarbons were prepared from the Murchison meteorite for isotopic analyses. The volatile bases were obtained by cryogenic transfer after acid-hydrolysis of a hot-water extract and analyzed by combined gas chromatography-mass spectrometry of pentafluoropropionyl derivatives. The aliphatic amines present in this preparation comprise a mixture that includes both primary and secondary isomers through C5 at a total concentration of > or = 100 nmoles g-1. As commonly observed for meteoritic organic compounds, almost all isomers through C5 are present, and the concentrations within homologous series decrease with increasing chain length. Ammonia was chromatographically separated from the other volatile bases and found at a concentration of 1.1-1.3 micromoles g-1 meteorite. The ammonia analyzed includes contributions from ammonium salts and the hydrolysis of extractable organic compounds, e.g., carboxamides. Stable isotope analyses showed the volatile bases to be substantially enriched in the heavier isotopes, relative to comparable terrestrial compounds delta D < or = +1221%; delta 13C = +22%; delta 15N = +93%). Ammonia, per se, was found to have a somewhat lower delta 15N value (+69%) than the total volatile bases; consequently, a higher delta 15N (>93%) can be inferred for the other bases, which include the amines. Solvent-extractable polar hydrocarbons obtained separately were found to be enriched in 15N (delta 15N = +104%). Total amino acids, prepared from a hydrolyzed hot-water extract by cation exchange chromatography, gave a delta 15N of +94%, a value in good agreement with that obtained previously. Nitrogen isotopic data are also given for amino acid fractions separated chromatographically. The delta 15N values of the Murchison soluble organic compounds analyzed to date fall within a rather narrow range (delta 15N = +94 +/- 8%), an observation consistent with their formation, or formation of their precursors, by interstellar chemistry.

Structure and Dynamics of NBD1 from CFTR Characterized Using Crystallography and Hydrogen/Deuterium Exchange Mass Spectrometry

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

Lewis, H.A.; Wang, C.; Zhao, X.

2012-04-30

The {Delta}F508 mutation in nucleotide-binding domain 1 (NBD1) of the cystic fibrosis transmembrane conductance regulator (CFTR) is the predominant cause of cystic fibrosis. Previous biophysical studies on human F508 and {Delta}F508 domains showed only local structural changes restricted to residues 509-511 and only minor differences in folding rate and stability. These results were remarkable because {Delta}F508 was widely assumed to perturb domain folding based on the fact that it prevents trafficking of CFTR out of the endoplasmic reticulum. However, the previously reported crystal structures did not come from matched F508 and {Delta}F508 constructs, and the {Delta}F508 structure contained additional mutationsmore » that were required to obtain sufficient protein solubility. In this article, we present additional biophysical studies of NBD1 designed to address these ambiguities. Mass spectral measurements of backbone amide {sup 1}H/{sup 2}H exchange rates in matched F508 and {Delta}F508 constructs reveal that {Delta}F508 increases backbone dynamics at residues 509-511 and the adjacent protein segments but not elsewhere in NBD1. These measurements also confirm a high level of flexibility in the protein segments exhibiting variable conformations in the crystal structures. We additionally present crystal structures of a broader set of human NBD1 constructs, including one harboring the native F508 residue and others harboring the {Delta}F508 mutation in the presence of fewer and different solubilizing mutations. The only consistent conformational difference is observed at residues 509-511. The side chain of residue V510 in this loop is mostly buried in all non-{Delta}F508 structures but completely solvent exposed in all {Delta}F508 structures. These results reinforce the importance of the perturbation {Delta}F508 causes in the surface topography of NBD1 in a region likely to mediate contact with the transmembrane domains of CFTR. However, they also suggest that increased exposure of the 509-511 loop and increased dynamics in its vicinity could promote aggregation in vitro and aberrant intermolecular interactions that impede trafficking in vivo.« less

COLD-WATER CORALS AND HYDROCHEMISTRY - is there a unifying link?

NASA Astrophysics Data System (ADS)

Flögel, Sascha; Rüggeberg, Andres; Mienis, Furu; Dullo, Wolf-Christian

2010-05-01

Physical and chemical parameters were measured in five different regions of the Northeast Atlantic with known occurrences of cold-water coral reefs and mounds and in the Mediterranean, where these corals form living carpets over existing morphologies. In this study we analyzed 282 bottom water samples regarding delta13CDIC, delta18O, and DIC. The hydrochemical data reveal characteristic patterns and differences for cold-water coral sites with living coral communities and ongoing reef and mound growth at the Irish and Norwegian sites. While the localities in the Mediterranean, in the Gulf of Cadiz, and off Mauritania show only patchy coral growth on mound-like reliefs and various substrates. The analysis of delta13C/delta18O reveals distinct clusters for the different regions and the respective bottom water masses bathing the delta18O, and especially between delta13CDIC and DIC shows that DIC is a parameter with high sensitivity to the mixing of bottom water masses. It varies distinctively between sites with living reefs/mounds and sites with restricted patchy growth or dead corals. Results suggest that DIC and delta13CDIC can provide additional insights into the mixing of bottom water masses. Prolific cold-water coral growth forming giant biogenic structures plot into a narrow geochemical window characterized by a variation of delta13CDIC between 0.45 and 0.79 per mille being associated with the water mass having a density of sigma-theta of 27.5±0.15 kg m-3.

[Composition and Regional Characteristics of Atmosphere Aerosol and Its Water Soluble Ions over the Yangtze River Delta Region in a Winter Haze Period].

PubMed

Wang, Man-ting; Zhu, Bin; Wang, Hong-lei; Xue, Guo-qiang; He, Jun; Xu, Hong-hui; Cao, Jin-fei

2015-07-01

To investigate the pollution characteristics of water soluble ions in fine atmospheric particles in Yangtze River Delta during the haze period from 18th to 24th Jan 2013, a joint sampling campaign using Andersen sampler was conducted at five cities (including Nanjing, Suzhou, Hangzhou, Lin'an and Ningbo). The analysis of size distribution of these ionic species coupled with the local meteorological conditions may shed some insightful light on the haze formation mechanism in this region. The result has shown: firstly, during the observation period, when Yangtze River Delta located at high pressure or in the front of high pressure, and has a large pressure gradient, the lower atmosphere has a significant airflow divergence in favor of pollutant dispersion; while located in weak low pressure and weak high pressure, the equalizing pressure field is not favorable for pollutant dispersion, especially accompanied with lower atmosphere convergence airflow. Secondly, during the hazy period, the concentration of fine particles and total water-soluble inorganic ions (TWSS) has increased dramatically; the increasing proportions of TWSS in fine particles are: Hangzhou 0. 9%, Lin'an 4. 2%, Nanjing 8. 1%. The particle size of secondary ions of SO(4)2-, NO3-, NH4+ complies fine mode(particle size <2. 1 µm), whose peaks migrates from 0. 43-0. 65 µm to 0. 65-1. 1 µm during the observation period, the peak of particle size of Ca2+ , Mg2+ appears at 4.7-5. 8 µm, while the ions of Na+, Cl-, K+ show a bimodal distribution. Moreover, secondary inorganic ions play a significant role in the formation of haze pollution, where the concentrations of secondary inorganic ions of NH4+, SO2- and NO3 have higher increasing rates; their relative proportions of increasing from each monitoring points are: Hangzhou 3%, Lin'an 55% and Nanjing 64.9%. Finally, SO(4)2- has the highest mass contribution to SNA, up to 45% ; also, the NO-/SO- ratios in each monitoring points are always higher than a fair 0. 5, which could indicate the significant contribution of mobile source towards this particle pollution.

Predicting switched-bias response from steady-state irradiations

NASA Astrophysics Data System (ADS)

Fleetwood, D. M.; Winokur, P. S.; Riewe, L. C.

1990-12-01

A novel semiempirical model of radiation-induced charge neutralization is presented. This model is combined with 12 heuristic guidelines derived from studies of oxide- and interface-trap charge (Delta Vot and Delta Vit) buildup and annealing to develop a method to predict MOS switched-bias response from steady-state irradiations, with no free parameters. For n-channel MOS devices, predictions of Delta Vot, Delta Vit, and mobility degradation differ from experimental values through irradiation by less than 30 percent in all cases considered. This is demonstrated for gate oxides with widely varying Delta Vot and Delta Vit and for parasitic field oxides. Preliminary results suggest that n-channel MOS Delta Vot annealing and Delta Vit buildup following switched-bias irradiation and through switched-bias annealing also may be predicted with less than 30 percent error. The p-channel MOS response at high frequencies is more difficult to predict.

[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.

Ratio of entropy to enthalpy in thermal transitions in biological tissues.

PubMed

Jacques, Steven L

2006-01-01

Thermal transitions in biological tissues that have been reported in the literature are summarized in terms of the apparent molar entropy (DeltaS) and molar enthalpy (DeltaH) involved in the transition. A plot of DeltaS versus DeltaH for all the data yields a straight line, consistent with the definition of free energy, DeltaG=DeltaH+TDeltaS. Various bonds may be involved in cooperative bond breakage during thermal transitions; however, for the sake of description, the equivalent number of cooperative hydrogen bonds can be cited. Most of the tissue data behave as if 10 to 20 hydrogen bonds are cooperatively broken during coagulation, with one transition, the expression of heat shock protein, involving 90 cooperative hydrogen bonds. The data are consistent with DeltaS=a+bDeltaH, where a=-327.5 J(mol K) and b=31.47 x 10(-4) K(-1). If each additional hydrogen bond adds 19 x 10(3) Jmol to DeltaH, then each additional bond adds 59.8 J(mol K) to DeltaS. Hence, the dynamics of irreversible thermal transitions can be described in terms of one free parameter, the apparent number of cooperative hydrogen bonds broken during the transition.

Amino- and carboxy-terminal deletion mutants of Gs alpha are localized to the particulate fraction of transfected COS cells

PubMed Central

1992-01-01

To elucidate the structural basis for membrane attachment of the alpha subunit of the stimulatory G protein (Gs alpha), mutant Gs alpha cDNAs with deletions of amino acid residues in the amino and/or carboxy termini were transiently expressed in COS-7 cells. The particulate and soluble fractions prepared from these cells were analyzed by immunoblot using peptide specific antibodies to monitor distribution of the expressed proteins. Transfection of mutant forms of Gs alpha with either 26 amino terminal residues deleted (delta 3-28) or with 59 amino terminal residues deleted (delta 1-59) resulted in immunoreactive proteins which localized primarily to the particulate fraction. Similarly, mutants with 10 (delta 385-394), 32 (delta 353-384), or 42 (delta 353-394) amino acid residues deleted from the carboxy terminus also localized to the particulate fraction, as did a mutant form of Gs alpha lacking amino acid residues at both the amino and carboxy termini (delta 3-28)/(delta 353-384). Mutant and wild type forms of Gs alpha demonstrated a similar degree of tightness in their binding to membranes as demonstrated by treatment with 2.5 M NaCl or 6 M urea, but some mutant forms were relatively resistant compared with wild type Gs alpha to solubilization by 15 mM NaOH or 1% sodium cholate. We conclude that: (a) deletion of significant portions of the amino and/or carboxyl terminus of Gs alpha is still compatible with protein expression; (b) deletion of these regions is insufficient to cause cytosolic localization of the expressed protein. The basis of Gs alpha membrane targeting remains to be elucidated. PMID:1400589

Optimizing physical energy functions for protein folding.

PubMed

Fujitsuka, Yoshimi; Takada, Shoji; Luthey-Schulten, Zaida A; Wolynes, Peter G

2004-01-01

We optimize a physical energy function for proteins with the use of the available structural database and perform three benchmark tests of the performance: (1) recognition of native structures in the background of predefined decoy sets of Levitt, (2) de novo structure prediction using fragment assembly sampling, and (3) molecular dynamics simulations. The energy parameter optimization is based on the energy landscape theory and uses a Monte Carlo search to find a set of parameters that seeks the largest ratio deltaE(s)/DeltaE for all proteins in a training set simultaneously. Here, deltaE(s) is the stability gap between the native and the average in the denatured states and DeltaE is the energy fluctuation among these states. Some of the energy parameters optimized are found to show significant correlation with experimentally observed quantities: (1) In the recognition test, the optimized function assigns the lowest energy to either the native or a near-native structure among many decoy structures for all the proteins studied. (2) Structure prediction with the fragment assembly sampling gives structure models with root mean square deviation less than 6 A in one of the top five cluster centers for five of six proteins studied. (3) Structure prediction using molecular dynamics simulation gives poorer performance, implying the importance of having a more precise description of local structures. The physical energy function solely inferred from a structural database neither utilizes sequence information from the family of the target nor the outcome of the secondary structure prediction but can produce the correct native fold for many small proteins. Copyright 2003 Wiley-Liss, Inc.

Prediction of solubility parameters and miscibility of pharmaceutical compounds by molecular dynamics simulations.

PubMed

Gupta, Jasmine; Nunes, Cletus; Vyas, Shyam; Jonnalagadda, Sriramakamal

2011-03-10

The objectives of this study were (i) to develop a computational model based on molecular dynamics technique to predict the miscibility of indomethacin in carriers (polyethylene oxide, glucose, and sucrose) and (ii) to experimentally verify the in silico predictions by characterizing the drug-carrier mixtures using thermoanalytical techniques. Molecular dynamics (MD) simulations were performed using the COMPASS force field, and the cohesive energy density and the solubility parameters were determined for the model compounds. The magnitude of difference in the solubility parameters of drug and carrier is indicative of their miscibility. The MD simulations predicted indomethacin to be miscible with polyethylene oxide and to be borderline miscible with sucrose and immiscible with glucose. The solubility parameter values obtained using the MD simulations values were in reasonable agreement with those calculated using group contribution methods. Differential scanning calorimetry showed melting point depression of polyethylene oxide with increasing levels of indomethacin accompanied by peak broadening, confirming miscibility. In contrast, thermal analysis of blends of indomethacin with sucrose and glucose verified general immiscibility. The findings demonstrate that molecular modeling is a powerful technique for determining the solubility parameters and predicting miscibility of pharmaceutical compounds. © 2011 American Chemical Society

Kinetic studies of adsorption of thiocyanate onto ZnCl2 activated carbon from coir pith, an agricultural solid waste.

PubMed

Namasivayam, C; Sangeetha, D

2005-09-01

The adsorption of thiocyanate onto ZnCl2 activated carbon developed from coir pith was investigated to assess the possible use of this adsorbent. The influence of various parameters such as agitation time, thiocyanate concentration, adsorbent dose, pH and temperature has been studied. Adsorption followed second-order rate kinetics. Two theoretical adsorption isotherms, namely, Langmuir and Freundlich were used to describe the experimental results. The Langmuir adsorption capacity (Q0) was found to be 16.2 mg g(-1) of the adsorbent. The per cent adsorption was maximum in the pH range 3.0-7.0. pH effect and desorption studies showed that ion exchange and chemisorption mechanism are involved in the adsorption process. Thermodynamic parameters such as DeltaG0, DeltaH0 and DeltaS0 for the adsorption were evaluated. The negative values of DeltaH0 confirm the exothermic nature of adsorption. Effects of foreign ions on the adsorption of thiocyanate have been investigated. Removal of thiocyanate from ground water was also tested.

Intermittency via moments and distributions in central O+Cu collisions at 14. 6 A[center dot]GeV/c

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

Tannenbaum, M.J.

Fluctuations in pseudorapidity distributions of charged particles from central (ZCAL) collisions of [sup 16]O+Cu at 14.6 A[center dot]GeV/c have been analyzed by Ju Kang using the method of scaled factorial moments as a function of the interval [delta][eta] an apparent power-law growth of moments with decreasing interval is observed down to [delta][eta] [approximately] 0.1, and the measured slope parameters are found to obey two scaling rules. Previous experience with E[sub T] distributions suggested that fluctuations of multiplicity and transverse energy can be well described by Gamma or Negative Binomial Distributions (NBD) and excellent fits to NBD were obtained in allmore » [delta][eta] bins. The k parameter of the NBD fit was found to increase linearly with the [delta][eta] interval, which due to the well known property of the NBD under convolution, indicates that the multiplicity distributions in adjacent bins of pseudorapidity [delta][eta] [approximately] 0.1 are largely statistically independent.« less

Intermittency via moments and distributions in central O+Cu collisions at 14.6 A{center_dot}GeV/c

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

Tannenbaum, M.J.; The E802 Collaboration

Fluctuations in pseudorapidity distributions of charged particles from central (ZCAL) collisions of {sup 16}O+Cu at 14.6 A{center_dot}GeV/c have been analyzed by Ju Kang using the method of scaled factorial moments as a function of the interval {delta}{eta} an apparent power-law growth of moments with decreasing interval is observed down to {delta}{eta} {approximately} 0.1, and the measured slope parameters are found to obey two scaling rules. Previous experience with E{sub T} distributions suggested that fluctuations of multiplicity and transverse energy can be well described by Gamma or Negative Binomial Distributions (NBD) and excellent fits to NBD were obtained in all {delta}{eta}more » bins. The k parameter of the NBD fit was found to increase linearly with the {delta}{eta} interval, which due to the well known property of the NBD under convolution, indicates that the multiplicity distributions in adjacent bins of pseudorapidity {delta}{eta} {approximately} 0.1 are largely statistically independent.« less

A simulation study of turbofan engine deterioration estimation using Kalman filtering techniques

NASA Technical Reports Server (NTRS)

Lambert, Heather H.

1991-01-01

Deterioration of engine components may cause off-normal engine operation. The result is an unecessary loss of performance, because the fixed schedules are designed to accommodate a wide range of engine health. These fixed control schedules may not be optimal for a deteriorated engine. This problem may be solved by including a measure of deterioration in determining the control variables. These engine deterioration parameters usually cannot be measured directly but can be estimated. A Kalman filter design is presented for estimating two performance parameters that account for engine deterioration: high and low pressure turbine delta efficiencies. The delta efficiency parameters model variations of the high and low pressure turbine efficiencies from nominal values. The filter has a design condition of Mach 0.90, 30,000 ft altitude, and 47 deg power level angle (PLA). It was evaluated using a nonlinear simulation of the F100 engine model derivative (EMD) engine, at the design Mach number and altitude over a PLA range of 43 to 55 deg. It was found that known high pressure turbine delta efficiencies of -2.5 percent and low pressure turbine delta efficiencies of -1.0 percent can be estimated with an accuracy of + or - 0.25 percent efficiency with a Kalman filter. If both the high and low pressure turbine are deteriorated, the delta efficiencies of -2.5 percent to both turbines can be estimated with the same accuracy.

Antigenic structure of soluble herpes simplex virus (HSV) glycoprotein D correlates with inhibition of HSV infection.

PubMed Central

Nicola, A V; Peng, C; Lou, H; Cohen, G H; Eisenberg, R J

1997-01-01

Soluble forms of herpes simplex virus (HSV) glycoprotein D (gD) block viral penetration. Likewise, most HSV strains are sensitive to gD-mediated interference by cells expressing gD. The mechanism of both forms of gD-mediated inhibition is thought to be at the receptor level. We analyzed the ability of different forms of soluble, truncated gD (gDt) to inhibit infection by different strains of HSV-1 and HSV-2. Strains that were resistant to gD-mediated interference were also resistant to inhibition by gDt, thereby suggesting a link between these two phenomena. Virion gD was the major viral determinant for resistance to inhibition by gDt. An insertion-deletion mutant, gD-1(delta 290-299t), had an enhanced inhibitory activity against most strains tested. The structure and function of gDt proteins derived from the inhibition-resistant viruses rid1 and ANG were analyzed. gD-1(ridlt) and gD-1(ANGt) had a potent inhibitory effect on plaque formation by wild-type strains of HSV but, surprisingly, little or no effect on their parental strains. As measured by quantitative enzyme-linked immunosorbent assay with a diverse panel of monoclonal antibodies, the antigenic structures of gD-1(rid1t) and gD-1(ANGt) were divergent from that of the wild type yet were similar to each other and to that of gD-1 (delta 290-299t). Thus, three different forms of gD have common antigenic changes that correlate with enhanced inhibitory activity against HSV. We conclude that inhibition of HSV infectivity by soluble gD is influenced by the antigenic conformation of the blocking gDt as well as the form of gD in the target virus. PMID:9060653

Control of pulmonary absorption of water-soluble compounds by various viscous vehicles.

PubMed

Yamamoto, Akira; Yamada, Keigo; Muramatsu, Hideaki; Nishinaka, Asako; Okumura, Shigeki; Okada, Naoki; Fujita, Takuya; Muranishi, Shozo

2004-09-10

Effects of various viscous vehicles on the pulmonary absorption of water-soluble drugs were examined by an in situ pulmonary absorption experiment. Gelatin, polyvinylacohol (PVA), hydroxypropylcellose (HPC), chondroitin sulfate A sodium salt (CS), polyacrylic acid (PAA), methylcellulose #400 (MC400) and hyaluronic acid sodium salt (HA) were used as models of viscous vehicles. 5(6)-Carboxyfluorescein (CF) and fluorescein isothiocayanate-labeled dextran with an average molecular weight of 4000 (FD4) were used as water-soluble drugs. The plasma concentration of CF was controlled and regulated in the presence of these viscous vehicles, especially gelatin (1-5%) and polyvinyl alcohol (PVA) 1%. In the pharmacokinetic analysis, the Cmax values of CF significantly decreased, and its Tmax values increased in the presence of these viscous vehicles compared with the control. The MRT and MAT values of CF with these vehicles were significantly higher than those without these vehicles. Therefore, these findings indicated that the viscous vehicles were effective to regulate the absorption rate of CF. On the other hand, the pulmonary absorption of FD4 was not so much affected even in the presence of gelatin and PVA, although PVA slightly decreased MRT value, and significantly decreased Tmax value. Furthermore, we examined the release rate of CF from the cellulose tube containing various concentrations of gelatin. The release rate of CF from the cellulose tube with gelatin was inversely related to the viscosity of gelatin. In addition, the release rate of CF was inversely related to DeltaMAT (DeltaMAT = MATgel(MAT with gelatin)-MATsol(MAT without gelatin)) in the presence of varying concentrations of gelatin. These findings indicated that these viscous vehicles were effective to control the pulmonary absorption of CF, a water-soluble drug with low molecular weight and they might be useful to increase the local concentration of drugs in the lung.

PETROLEUM RESIDUA SOLUBILITY PARAMETER/POLARITY MAP: STABILITY STUDIES OF RESIDUA PYROLYSIS

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

John F. Schabron; A. Troy Pauli; Joseph F. Rovani, Jr.

1999-04-30

A new molecular weight/polarity map based on the Scatchard-Hildebrand solubility equation has been developed for petroleum residua. A series of extractions are performed with solvents of increasing solubility parameter, and the fractions are analyzed by vapor pressure osmometry for number average molecular weight and by analytical-scale size exclusion chromatography for molecular weight spread. Work was performed for a heavy oil material subjected to three increasing severities of thermal treatment prior to and through the onset of coke formation. The results are diagnostic of the layers of solvations by resin-type molecules around a central asphaltene core. Two additional stability diagnostic methodsmore » were also used. These were the Heithaus titration ''P-index'' and Gaestel ''G'' index, which have been applied to paving asphalts for decades. The Heithaus titration involves the titration of three toluene solutions of a residuum at three concentrations with a poor solvent, such as isooctane, to the point of asphaltene flocculation. In the present work, the significance of the data are developed in terms of the Hildebrand solubility parameter. The Heithaus results are combined with data from the new molecular weight/polarity map. The solubility parameters for the toluene-soluble asphaltene components are measured, and the solubility parameters of the maltenes can be calculated. As thermal treatment progresses, the solubility parameters of asphaltene materials increase and the molecular weights decrease. A new coking index is proposed based on Heithaus titration data. Preliminary results suggest that an alternative, simpler coking index may be developed by measuring the weight percent of cyclohexane solubles in heptane asphaltenes. Coking onset appears to coincide with the depletion of these resin-type asphaltene solubilizing components of residua. The objective of the present study was to develop a mapping tool that will enhance understanding of the changes that occur in residua during upgrading and support the industry-sponsored work in which Western Research Institute is engaged. WRI performs proprietary industry-sponsored residua and heavy oil upgrading process development and optimization research. The new mapping tool can be used for evaluating heavy oils and residua in both upstream and downstream operations.« less

New procedure for the determination of Hansen solubility parameters by means of inverse gas chromatography.

PubMed

Adamska, K; Bellinghausen, R; Voelkel, A

2008-06-27

The Hansen solubility parameter (HSP) seems to be a useful tool for the thermodynamic characterization of different materials. Unfortunately, estimation of the HSP values can cause some problems. In this work different procedures by using inverse gas chromatography have been presented for calculation of pharmaceutical excipients' solubility parameter. The new procedure proposed, based on the Lindvig et al. methodology, where experimental data of Flory-Huggins interaction parameter are used, can be a reasonable alternative for the estimation of HSP values. The advantage of this method is that the values of Flory-Huggins interaction parameter chi for all test solutes are used for further calculation, thus diverse interactions between test solute and material are taken into consideration.

Gender-specific hemodynamics in prefrontal cortex during a verbal working memory task by near-infrared spectroscopy.

PubMed

Li, Ting; Luo, Qingming; Gong, Hui

2010-05-01

The presence or absence of gender differences in working memory, localized in the prefrontal cortex (PFC), has been debated in a few fMRI studies. However, the hypothesis of gender differences in PFC function has not been elaborated, and comparisons among hemodynamic parameters designed to test for gender differences are scarce. We utilized near-infrared spectroscopy during verbal N-back tasks on 26 male and 24 female healthy volunteers. Changes in the concentrations of oxy- (Delta[oxy-Hb]), deoxy- (Delta[deoxy-Hb]) and total hemoglobin (Delta[tot-Hb]) were recorded simultaneously. Delta[oxy-Hb] and Delta[tot-Hb] exhibited obvious gender differences, but Delta[deoxy-Hb] did not. Males showed bilateral activation with slight left-side dominance, whereas females showed left activation. The activation in males was more wide-spread and stronger than in females. Furthermore, females required a lower hemodynamic supply than males to obtain comparable performance, and only females exhibited positive correlations between hemodynamic parameters and behavioral performance. The results reinforce the existence of a gender effect in hemodynamic-based functional imaging studies. Our findings suggest that females possess more efficient hemodynamics in the PFC during working memory and emphasize the importance of studying the PFC to further a scientific understanding of gender differences.

A method of evaluating quantitative magnetospheric field models by an angular parameter alpha

NASA Technical Reports Server (NTRS)

Sugiura, M.; Poros, D. J.

1979-01-01

The paper introduces an angular parameter, termed alpha, which represents the angular difference between the observed, or model, field and the internal model field. The study discusses why this parameter is chosen and demonstrates its usefulness by applying it to both observations and models. In certain areas alpha is more sensitive than delta-B (the difference between the magnitude of the observed magnetic field and that of the earth's internal field calculated from a spherical harmonic expansion) in expressing magnetospheric field distortions. It is recommended to use both alpha and delta-B in comparing models with observations.

Novel inclusion complex of ibuprofen tromethamine with cyclodextrins: physico-chemical characterization.

PubMed

Al Omari, Mahmoud M; Daraghmeh, Nidal H; El-Barghouthi, Musa I; Zughul, Mohammad B; Chowdhry, Babur Z; Leharne, Stephen A; Badwan, Adnan A

2009-10-15

Guest-host interactions of ibuprofen tromethamine salt (Ibu.T) with native and modified cyclodextrins (CyDs) have been investigated using several techniques, namely phase solubility diagrams (PSDs), proton nuclear magnetic resonance ((1)H NMR), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffractometry (XRPD), scanning-electron microscopy (SEM) and molecular mechanics (MM). From the analysis of PSD data (A(L)-type) it is concluded that the anionic tromethamine salt of ibuprofen (pK(a)=4.55) forms 1:1 soluble complexes with all CyDs investigated in buffered water at pH 7.0, while the neutral form of Ibu forms an insoluble complex with beta-CyD (B(S)-type) in buffered water at pH 2.0. Ibu.T has a lower tendency to complex with beta-CyD (K(11)=58 M(-1) at pH 7.0) compared with the neutral Ibu (K(11)=4200 M(-1)) in water. Complex formation of Ibu.T with beta-CyD (DeltaG(o)=-20.4 kJ/mol) is enthalpy driven (DeltaH(o)=-22.9 kJ/mol) and is accompanied by a small unfavorable entropy (DeltaS(o)=-8.4 J/mol K) change. (1)H NMR studies and MM computations revealed that, on complexation, the hydrophobic central benzene ring of Ibu.T and part of the isobutyl group reside within the beta-CyD cavity leaving the peripheral groups (carboxylate, tromethamine and methyl groups) located near the hydroxyl group networks at either rim of beta-CyD. PSD, (1)H NMR, DSC, FT-IR, XRPD, SEM and MM studies confirmed the formation of Ibu.T/beta-CyD inclusion complex in solution and the solid state.

Synthesis and characterization of the LDH hydrotalcite-pyroaurite solid-solution series

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

Rozov, K., E-mail: urs.berner@psi.c; Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern, Baltzerstrasse 3, CH-3012; Berner, U.

2010-08-15

A layered double hydroxide (LDH) hydrotalcite-pyroaurite solid-solution series Mg{sub 3}(Al{sub x}Fe{sub 1-x})(CO{sub 3}){sub 0.5}(OH){sub 8} with 1 - x = 0.0, 0.1...1.0 was prepared by co-precipitation at 23 {+-} 2 {sup o}C and pH = 11.40 {+-} 0.03. The compositions of the solids and the reaction solutions were determined using ICP-OES (Mg, Al, Fe, and Na) and TGA techniques (CO{sub 3}{sup 2-}, OH{sup -}, and H{sub 2}O). Powder X-ray diffraction was employed for phase identification and determination of the unit cell parameters a{sub o} and c{sub o} from peak profile analysis. The parameter a{sub o} = b{sub o} was foundmore » to be a linear function of the composition. This dependency confirms Vegard's law and indicates the presence of a continuous solid-solution series in the hydrotalcite-pyroaurite system. TGA data show that the temperatures at which interlayer H{sub 2}O molecules and CO{sub 3}{sup 2-} anions are lost, and at which dehydroxylation of the layers occurs, all decrease with increasing mole fraction of iron within the hydroxide layers. Features of the Raman spectra also depend on the iron content. The absence of Raman bands for Fe-rich members (x{sub Fe} > 0.5) is attributed to possible fluorescence phenomena. Based on chemical analysis of both the solids and the reaction solutions after synthesis, preliminary Gibbs free energies of formation have been estimated. Values of {Delta}G{sup o}{sub f}(hydrotalcite) = - 3773.3 {+-} 51.4 kJ/mol and {Delta}G{sup o}{sub f}(pyroaurite) = - 3294.5 {+-} 95.8 kJ/mol were found at 296.15 K. The formal uncertainties of these formations constants are very high. Derivation of more precise values would require carefully designed solubility experiments and improved analytical techniques.« less

Control of circular polarization of electroluminescence in spin light-emitting diodes based on InGaAs/GaAs/δ〈Mn〉 heterostructures

NASA Astrophysics Data System (ADS)

Malysheva, E. I.; Dorokhin, M. V.; Demina, P. B.; Zdoroveyshchev, A. V.; Rykov, A. V.; Ved', M. V.; Danilov, Yu. A.

2017-11-01

Circularly polarized luminescence of light-emitting InGaAs/GaAs structures with a delta-doped Mn layer in a GaAs barrier was studied. The structural parameters were varied by different ways, among them are homogeneous and delta-doping with acceptor impurity, and removal of donor doping from the technological process. As it was found, the magnitude and polarity of the degree of circular polarization of luminescence strongly depend on the technological mode chosen. Simultaneous modeling of wave functions of structures highlights a good agreement between the parameters of circularly polarized luminescence and spatial distribution of wave functions of heavy holes relative to the Mn delta-layer.

15N isotopic analyses: a powerful tool to establish links between seized 3,4-methylenedioxymethamphetamine (MDMA) tablets.

PubMed

Palhol, Fabien; Lamoureux, Catherine; Naulet, Norbert

2003-06-01

In this study the (15)N/(14)N isotopic ratios of 43 samples of 3,4-methylenedioxymethamphetamine (MDMA) samples were measured using Gas Chromatography-Combustion-Isotope-Ratio Mass Spectrometry (GC-C-IRMS). The results show a large discrimination between samples with a range of delta(15)N values between -16 and +19 per thousand. Comparison between delta(15)N values and other physical and chemical parameters shows a strong relationship between delta(15)N and brand logo or composition. Thus, it could be assumed that tablets from different seizures probably originated from the same clandestine manufacturing source. Hence, (15)N isotopic parameters provide an important additional tool to establish common origins between seizures of clandestine synthetic drugs.

''Reading'' the photoelectron {beta}-parameter spectrum in a resonance region

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

Dolmatov, V. K.; Guler, E.; Manson, S. T.

2007-09-15

The behavior of the dipole photoelectron angular distribution parameter {beta}{sub nl}({omega}) in the vicinity of autoionizing resonances is discussed. It is shown that from this behavior, surprisingly, many photoionization parameters that cannot be measured experimentally can be extracted. These are the energy positions and ordering of autoionizing resonance minima in the partial photoionization cross sections {sigma}{sub l+1} and {sigma}{sub l-1}, the energies at which these two cross sections intersect, and signs and magnitudes of the cos({delta}{sub l+1}-{delta}{sub l-1}) ({delta}{sub l{+-}}{sub 1} being the phase shifts of the dipole photoionization amplitudes D{sub l{+-}}{sub 1}, respectively) through the autoionizing resonance energy region.more » Based on this, a deeper interpretation of such effects as the width-narrowing, width-fluctuating, and q-reversal in the {beta}{sub nl} parameter spectrum in the autoionizing resonance energy region is given. As an example, calculated data for partial photoionization cross sections {sigma}{sub 3d{r_reversible}}{sub f} and {sigma}{sub 3d{r_reversible}}{sub p}, and {beta}{sub 3d} parameters for 3d photoelectrons from Cr{sup +} are presented.« less

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

Sanchez-Nieto, Beatriz, E-mail: bsanchez@fis.puc.cl; Goset, Karen C.; Caviedes, Ivan

Purpose: To propose multivariate predictive models for changes in pulmonary function tests ({Delta}PFTs) with respect to preradiotherapy (pre-RT) values in patients undergoing RT for breast cancer and lymphoma. Methods and Materials: A prospective study was designed to measure {Delta}PFTs of patients undergoing RT. Sixty-six patients were included. Spirometry, lung capacity (measured by helium dilution), and diffusing capacity of carbon monoxide tests were used to measure lung function. Two lung definitions were considered: paired lung vs. irradiated lung (IL). Correlation analysis of dosimetric parameters (mean lung dose and the percentage of lung volume receiving more than a threshold dose) and {Delta}PFTsmore » was carried out to find the best dosimetric predictor. Chemotherapy, age, smoking, and the selected dose-volume parameter were considered as single and interaction terms in a multivariate analysis. Stability of results was checked by bootstrapping. Results: Both lung definitions proved to be similar. Modeling was carried out for IL. Acute and late damage showed the highest correlations with volumes irradiated above {approx}20 Gy (maximum R{sup 2} = 0.28) and {approx}40 Gy (maximum R{sup 2} = 0.21), respectively. RT alone induced a minor and transitory restrictive defect (p = 0.013). Doxorubicin-cyclophosphamide-paclitaxel (Taxol), when administered pre-RT, induced a late, large restrictive effect, independent of RT (p = 0.031). Bootstrap values confirmed the results. Conclusions: None of the dose-volume parameters was a perfect predictor of outcome. Thus, different predictor models for {Delta}PFTs were derived for the IL, which incorporated other nondosimetric parameters mainly through interaction terms. Late {Delta}PFTs seem to behave more serially than early ones. Large restrictive defects were demonstrated in patients pretreated with doxorubicin-cyclophosphamide-paclitaxel.« less

Kinetics, mechanism, and spectroscopy of the reversible binding of nitric oxide to aquated iron(II). An undergraduate text book reaction revisited.

PubMed

Wanat, Alicja; Schneppensieper, Thorsten; Stochel, Grazyna; van Eldik, Rudi; Bill, Eckhard; Wieghardt, Karl

2002-01-14

A detailed kinetic and mechanistic analysis of the classical "brown-ring" reaction of [Fe(H(2)O)(6)](2+) with NO was performed using stopped-flow and laser flash photolysis techniques at ambient and high pressure. The kinetic parameters for the "on" and "off" reactions at 25 degrees C were found to be k(on) = 1.42 x 10(6) M(-1) s(-1), DeltaH(++)(on) = 37.1 +/- 0.5 kJ mol(-1), DeltaS(++)(on) = -3 +/- 2 J K(-1) mol(-1), DeltaV(++)(on) = +6.1 +/- 0.4 cm(3) mol(-1), and k(off) = 3240 +/- 750 s(-1), DeltaH(++)(off) = 48.4 +/- 1.4 kJ mol(-1), DeltaS(++)(off) = -15 +/- 5 J K(-1) mol(-1), DeltaV(++)(off) = +1.3 +/- 0.2 cm(3) mol(-1). These parameters suggest that both reactions follow an interchange dissociative (I(d)) ligand substitution mechanism, which correlates well with the suggested mechanism for the water exchange reaction on [Fe(H(2)O)(6)](2+). In addition, Mössbauer spectroscopy and EPR measurements were performed on the reaction product [Fe(H(2)O)(5)(NO)](2+). The Mössbauer and EPR parameters closely resemble those of the [FeNO](7) units in any of the other well-characterized nitrosyl complexes. It is concluded that its electronic structure is best described by the presence of high-spin Fe(III) antiferromagnetically coupled to NO(-) (S = 1) yielding the observed spin quartet ground state (S = (3)/(2)), i.e., [Fe(III)(H(2)O)(5)(NO(-))](2+), and not [Fe(I)(H(2)O)(5)(NO(+))](2+) as usually quoted in undergraduate text books.

Modeling pesticide loadings from the San Joaquin watershed into the Sacramento-San Joaquin Delta using SWAT

NASA Astrophysics Data System (ADS)

Chen, H.; Zhang, M.

2016-12-01

The Sacramento-San Joaquin Delta is an ecologically rich, hydrologically complex area that serves as the hub of California's water supply. However, pesticides have been routinely detected in the Delta waterways, with concentrations exceeding the benchmark for the protection of aquatic life. Pesticide loadings into the Delta are partially attributed to the San Joaquin watershed, a highly productive agricultural watershed located upstream. Therefore, this study aims to simulate pesticide loadings to the Delta by applying the Soil and Water Assessment Tool (SWAT) model to the San Joaquin watershed, under the support of the USDA-ARS Delta Area-Wide Pest Management Program. Pesticide use patterns in the San Joaquin watershed were characterized by combining the California Pesticide Use Reporting (PUR) database and GIS analysis. Sensitivity/uncertainty analyses and multi-site calibration were performed in the simulation of stream flow, sediment, and pesticide loads along the San Joaquin River. Model performance was evaluated using a combination of graphic and quantitative measures. Preliminary results indicated that stream flow was satisfactorily simulated along the San Joaquin River and the major eastern tributaries, whereas stream flow was less accurately simulated in the western tributaries, which are ephemeral small streams that peak during winter storm events and are mainly fed by irrigation return flow during the growing season. The most sensitive parameters to stream flow were CN2, SOL_AWC, HRU_SLP, SLSUBBSN, SLSOIL, GWQMN and GW_REVAP. Regionalization of parameters is important as the sensitivity of parameters vary significantly spatially. In terms of evaluation metric, NSE tended to overrate model performance when compared to PBIAS. Anticipated results will include (1) pesticide use pattern analysis, (2) calibration and validation of stream flow, sediment, and pesticide loads, and (3) characterization of spatial patterns and temporal trends of pesticide yield.

Project management lessons learned on SDIO's Delta Star and Single Stage Rocket Technology programs

NASA Technical Reports Server (NTRS)

Klevatt, Paul L.

1992-01-01

The topics are presented in viewgraph form and include the following: a Delta Star (Delta 183) Program Overview, lessons learned, and rapid prototyping and the Single Stage Rocket Technology (SSRT) Program. The basic objective of the Strategic Defense Initiative Programs are to quickly reduce key uncertainties to a manageable range of parameters and solutions, and to yield results applicable to focusing subsequent research dollars on high payoff areas.

Analysis and Thermodynamic Prediction of Hydrogen Solution in Solid and Liquid Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anyalebechi, P. N.

Reported experimentally determined values of hydrogen solubility in liquid and solid Al-H and Al-H-X (where X = Cu, Si, Zn, Mg, Li, Fe or Ti) systems have been critically reviewed and analyzed in terms of Wagner's interaction parameter. An attempt has been made to use Wagner's interaction parameter and statistic linear regression models derived from reported hydrogen solubility limits for binary aluminum alloys to predict the hydrogen solubility limits in liquid and solid (commercial) multicomponent aluminum alloys. Reasons for the observed poor agreement between the predicted and experimentally determined hydrogen solubility limits are discussed.

The effect of zero-point energy differences on the isotope dependence of the formation of ozone: a classical trajectory study.

PubMed

Schinke, Reinhard; Fleurat-Lessard, Paul

2005-03-01

The effect of zero-point energy differences (DeltaZPE) between the possible fragmentation channels of highly excited O(3) complexes on the isotope dependence of the formation of ozone is investigated by means of classical trajectory calculations and a strong-collision model. DeltaZPE is incorporated in the calculations in a phenomenological way by adjusting the potential energy surface in the product channels so that the correct exothermicities and endothermicities are matched. The model contains two parameters, the frequency of stabilizing collisions omega and an energy dependent parameter Delta(damp), which favors the lower energies in the Maxwell-Boltzmann distribution. The stabilization frequency is used to adjust the pressure dependence of the absolute formation rate while Delta(damp) is utilized to control its isotope dependence. The calculations for several isotope combinations of oxygen atoms show a clear dependence of relative formation rates on DeltaZPE. The results are similar to those of Gao and Marcus [J. Chem. Phys. 116, 137 (2002)] obtained within a statistical model. In particular, like in the statistical approach an ad hoc parameter eta approximately 1.14, which effectively reduces the formation rates of the symmetric ABA ozone molecules, has to be introduced in order to obtain good agreement with the measured relative rates of Janssen et al. [Phys. Chem. Chem. Phys. 3, 4718 (2001)]. The temperature dependence of the recombination rate is also addressed.

Thermal ring closure in Mo(CO){sub 5}L (L = bpy, dmbpy, dpbpy) transients generated by pulsed laser flash photolysis. Mechanistic information from high-pressure effects

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

Reddy, K.B.; Hoffmann, R.; Konya, G.

1992-06-01

The kinetics of the ring-closure reactions of Mo(CO){sub 5}L, produced during the laser flash photolysis of Mo(CO){sub 6} and L where L = 2,2{prime}-bipyridine (bpy), 4,4{prime}-dimethyl-2,2{prime}-bipyridine (dpbpy) and 4,4{prime}-dephenyl-2,2{prime}-bipyridine (dpbpy) were studied as a function of temperature and pressure. The values of the activation parameters and pressure. The values of the activation parameters {Delta}S and {Delta}V are small and negative for L = bpy and dmbpy supporting an associative interchange mechanism (I{sub a}) for CO extrusion. For L = dpbpy, {Delta}V is small and positive in line with a dissociative interchange mechanism (I{sub d}). The results demonstrate a changeover inmore » mechanism from I{sub a} to I{sub d} with increasing steric hindrance on the bidentate ligand L. 36 refs., 1 fig., 2 tabs.« less

Solar photolysis of soluble microbial products as precursors of disinfection by-products in surface water.

PubMed

Wu, Jie; Ye, Jian; Peng, Huanlong; Wu, Meirou; Shi, Weiwei; Liang, Yongmei; Liu, Wei

2018-06-01

In the Pearl River Delta area, the upstream municipal wastewater is commonly discharged into rivers which are a pivotal source of downstream drinking water. Solar irradiation transforms some of the dissolved organic matter discharged from the wastewater, also affecting the formation of disinfection by-products in subsequent drinking water treatment plants. The effect of simulated solar radiation on soluble microbial products extracted from activated sludge was documented in laboratory experiments. Irradiation was found to degrade macromolecules in the effluent, yielding smaller, more reactive intermediate species which reacted with chlorine or chloramine to form higher levels of noxious disinfection by-products. The soluble microbial products were found to be more active in formation of disinfection by-products regard than naturally-occurring organic matter. The results show that solar irradiation induced the formation of more trihalomethane (THMs), chloral hydrate (CH) and trichloronitromethane (TCNM), causing greater health risks for downstream drinking water. Copyright © 2018 Elsevier Ltd. All rights reserved.

Solubility parameters of hypromellose acetate succinate and plasticization in dry coating procedures.

PubMed

Klar, Fabian; Urbanetz, Nora Anne

2016-10-01

Solubility parameters of HPMCAS have not yet been investigated intensively. On this account, total and three-dimensional solubility parameters of HPMCAS were determined by using different experimental as well as computational methods. In addition, solubility properties of HPMCAS in a huge number of solvents were tested and a Teas plot for HPMCAS was created. The total solubility parameter of about 24 MPa(0.5) was confirmed by various procedures and compared with values of plasticizers. Twenty common pharmaceutical plasticizers were evaluated in terms of their suitability for supporting film formation of HPMCAS under dry coating conditions. Therefore, glass transition temperatures of mixtures of polymer and plasticizers were inspected and film formation of potential ones was further investigated in dry coating of pellets. Contact angles of plasticizers on HPMCAS were determined in order to give a hint of achievable coating efficiencies in dry coating, but none was found to spread on HPMCAS. A few common substances, e.g. dimethyl phthalate, glycerol monocaprylate, and polyethylene glycol 400, enabled plasticization of HPMCAS; however, only triethyl citrate and triacetin were found to be suitable for use in dry coating. Addition of acetylated monoglycerides to triacetin increased coating efficiency, which was likewise previously demonstrated for triethyl citrate.

The link between a negative high resolution resist contrast/developer performance and the Flory-Huggins parameter estimated from the Hansen solubility sphere

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

StCaire, Lorri; Olynick, Deirdre L.; Chao, Weilun L.

We have implemented a technique to identify candidate polymer solvents for spinning, developing, and rinsing for a high resolution, negative electron beam resist hexa-methyl acetoxy calix(6)arene to elicit the optimum pattern development performance. Using the three dimensional Hansen solubility parameters for over 40 solvents, we have constructed a Hansen solubility sphere. From this sphere, we have estimated the Flory Huggins interaction parameter for solvents with hexa-methyl acetoxy calix(6)arene and found a correlation between resist development contrast and the Flory-Huggins parameter. This provides new insights into the development behavior of resist materials which are necessary for obtaining the ultimate lithographic resolution.

[Relation of variant rs180077 of gen cholesterol ester transfer protein variant, with fat mass, HDL-cholesterol in obese subjects with diabetes mellitus type 2].

PubMed

De Luis, Daniel Antonio; Izaola, Olatz; Primo, David; García Calvo, Susana; Gómez Hoyos, Emilia; López Gómez, Juan José; Ortola, Ana; Serrano, Cristina; Delgado, Esther; Torres Torres, Beatriz

2017-11-14

There is few evidence of cholesterol ester transfer protein (CETP) in subjects with obesity and diabetes mellitus. We examined the association of the polymorphism (rs1800777) of CETP gene on anthropometric parameters, lipid profile and adipokines in subjects with obesity and diabetes mellitus type 2. A population of 229 obese subjects with diabetes mellitus type 2 was enrolled. An electrical bioimpedance, blood pressure, dietary intake, exercise and biochemical analyses were recorded. Two hundred and seventeen subjects (94.8%) had genotype GG and 12 GA (5.2%) (genotype AA was not detected). Weight (delta: 14.4 ± 2.1 kg, p = 0.01), body mass index (delta: 2.2 ± 1.1 kg/m2, p = 0.01), fat mass (delta: 11.2 ± 3.1 kg, p = 0.02), waist circumference (delta: 3.9 ± 2.0 cm, p = 0.02), waist to hip ratio (delta: 0.04 ± 0.02 cm; p = 0.01), tryglicerides (delta: 48.6 ± 9.1 mg / dl, p = 0.03) and leptin levels (delta: 58.6 ± 15.9 mg/dl, p = 0.02) were higher in A allele carriers than non A allele carriers. Levels of HDL-cholesterol were lower in A allele carriers than non-carriers (delta: 5.6 ± 1.1 mg/dl, p = 0.03). In regression analysis, HDl cholesterol, weight and fat mass remained in the model with the SNP. Our results show an association of this CETP variant at position +82 on HDL cholesterol, levels and adiposity parameters in obese subjects with diabetes mellitus type 2.

Origins of protein denatured state compactness and hydrophobic clustering in aqueous urea: inferences from nonpolar potentials of mean force.

PubMed

Shimizu, Seishi; Chan, Hue Sun

2002-12-01

Free energies of pairwise hydrophobic association are simulated in aqueous solutions of urea at concentrations ranging from 0-8 M. Consistent with the expectation that hydrophobic interactions are weakened by urea, the association of relatively large nonpolar solutes is destabilized by urea. However, the association of two small methane-sized nonpolar solutes in water has the opposite tendency of being slightly strengthened by the addition of urea. Such size effects and the dependence of urea-induced stability changes on the configuration of nonpolar solutes are not predicted by solvent accessible surface area approaches based on energetic parameters derived from bulk-phase solubilities of model compounds. Thus, to understand hydrophobic interactions in proteins, it is not sufficient to rely solely on transfer experiment data that effectively characterize a single nonpolar solute in an aqueous environment but not the solvent-mediated interactions among two or more nonpolar solutes. We find that the m-values for the rate of change of two-methane association free energy with respect to urea concentration is a dramatically nonmonotonic function of the spatial separation between the two methanes, with a distance-dependent profile similar to the corresponding two-methane heat capacity of association in pure water. Our results rationalize the persistence of residual hydrophobic contacts in some proteins at high urea concentrations and explain why the heat capacity signature (DeltaC(P)) of a compact denatured state can be similar to DeltaC(P) values calculated by assuming an open random-coil-like unfolded state. Copyright 2002 Wiley-Liss, Inc.

The reversible two-state unfolding of a monocot mannose-binding lectin from garlic bulbs reveals the dominant role of the dimeric interface in its stabilization.

PubMed

Bachhawat, K; Kapoor, M; Dam, T K; Surolia, A

2001-06-19

Allium sativum agglutinin (ASAI) is a heterodimeric mannose-specific bulb lectin possessing two polypeptide chains of molecular mass 11.5 and 12.5 kDa. The thermal unfolding of ASAI, characterized by differential scanning calorimetry and circular dichroism, shows it to be highly reversible and can be defined as a two-state process in which the folded dimer is converted directly to the unfolded monomers (A2 if 2U). Its conformational stability has been determined as a function of temperature, GdnCl concentration, and pH using a combination of thermal and isothermal GdnCl-induced unfolding monitored by DSC, far-UV CD, and fluorescence, respectively. Analyses of these data yielded the heat capacity change upon unfolding (DeltaC(p) and also the temperature dependence of the thermodynamic parameters, namely, DeltaG, DeltaH, and DeltaS. The fit of the stability curve to the modified Gibbs-Helmholtz equation provides an estimate of the thermodynamic parameters DeltaH(g), DeltaS(g), and DeltaC(p) as 174.1 kcal x mol(-1), 0.512 kcal x mol(-1) x K(-1), and 3.41 kcal x mol(-1) x K(-1), respectively, at T(g) = 339.4 K. Also, the free energy of unfolding, DeltaG(s), at its temperature of maximum stability (T(s) = 293 K) is 13.13 kcal x mol(-1). Unlike most oligomeric proteins studied so far, the lectin shows excellent agreement between the experimentally determined DeltaC(p) (3.2 +/- 0.28 kcal x mol(-1) x K(-1)) and those evaluated from a calculation of its accessible surface area. This in turn suggests that the protein attains a completely unfolded state irrespective of the method of denaturation. The absence of any folding intermediates suggests the quaternary interactions to be the major contributor to the conformational stability of the protein, which correlates well with its X-ray structure. The small DeltaC(p) for the unfolding of ASAI reflects a relatively small, buried hydrophobic core in the folded dimeric protein.

Real Time Correction of Aircraft Flight Fonfiguration

NASA Technical Reports Server (NTRS)

Schipper, John F. (Inventor)

2009-01-01

Method and system for monitoring and analyzing, in real time, variation with time of an aircraft flight parameter. A time-dependent recovery band, defined by first and second recovery band boundaries that are spaced apart at at least one time point, is constructed for a selected flight parameter and for a selected time recovery time interval length .DELTA.t(FP;rec). A flight parameter, having a value FP(t=t.sub.p) at a time t=t.sub.p, is likely to be able to recover to a reference flight parameter value FP(t';ref), lying in a band of reference flight parameter values FP(t';ref;CB), within a time interval given by t.sub.p.ltoreq.t'.ltoreq.t.sub.p.DELTA.t(FP;rec), if (or only if) the flight parameter value lies between the first and second recovery band boundary traces.

Organogel formation rationalized by Hansen solubility parameters: influence of gelator structure.

PubMed

Bonnet, Julien; Suissa, Gad; Raynal, Matthieu; Bouteiller, Laurent

2015-03-21

Some organic compounds form gels in liquids by forming a network of anisotropic fibres. Based on extensive solubility tests of four gelators of similar structures, and on Hansen solubility parameter formalism, we have probed the quantitative effect of a structural variation of the gelator structure on its gel formation ability. Increasing the length of an alkyl group of the gelator obviously reduces its polarity, which leads to a gradual shift of its solubility sphere towards lower δp and δh values. At the same time, its gelation sphere is shifted - to a much stronger extent - towards larger δp and δh values.

Thermodynamic approach to boron nitride nanotube solubility and dispersion.

PubMed

Tiano, A L; Gibbons, L; Tsui, M; Applin, S I; Silva, R; Park, C; Fay, C C

2016-02-21

Inadequate dispersion of nanomaterials is a critical issue that significantly limits the potential properties of nanocomposites and when overcome, will enable further enhancement of material properties. The most common methods used to improve dispersion include surface functionalization, surfactants, polymer wrapping, and sonication. Although these approaches have proven effective, they often achieve dispersion by altering the surface or structure of the nanomaterial and ultimately, their intrinsic properties. Co-solvents are commonly utilized in the polymer, paint, and art conservation industries to selectively dissolve materials. These co-solvents are utilized based on thermodynamic interaction parameters and are chosen so that the original materials are not affected. The same concept was applied to enhance the dispersion of boron nitride nanotubes (BNNTs) to facilitate the fabrication of BNNT nanocomposites. Of the solvents tested, dimethylacetamide (DMAc) exhibited the most stable, uniform dispersion of BNNTs, followed by N,N-dimethylformamide (DMF), acetone, and N-methyl-2-pyrrolidone (NMP). Utilizing the known Hansen solubility parameters of these solvents in comparison to the BNNT dispersion state, a region of good solubility was proposed. This solubility region was used to identify co-solvent systems that led to improved BNNT dispersion in poor solvents such as toluene, hexane, and ethanol. Incorporating the data from the co-solvent studies further refined the proposed solubility region. From this region, the Hansen solubility parameters for BNNTs are thought to lie at the midpoint of the solubility sphere: 16.8, 10.7, and 9.0 MPa(1/2) for δd, δp, and δh, respectively, with a calculated Hildebrand parameter of 21.8 MPa(1/2).

Automated in-line gel filtration for native state mass spectrometry.

PubMed

Waitt, Greg M; Xu, Robert; Wisely, G Bruce; Williams, Jon D

2008-02-01

Characterization of protein-ligand complexes by nondenaturing mass spectrometry provides direct evidence of drug-like molecules binding with potential therapeutic targets. Typically, protein-ligand complexes to be analyzed contain buffer salts, detergents, and other additives to enhance protein solubility, all of which make the sample unable to be analyzed directly by electrospray ionization mass spectrometry. This work describes an in-line gel-filtration method that has been automated and optimized. Automation was achieved using commercial HPLC equipment. Gel column parameters that were optimized include: column dimensions, flow rate, packing material type, particle size, and molecular weight cut-off. Under optimal conditions, desalted protein ions are detected 4 min after injection and the analysis is completed in 20 min. The gel column retains good performance even after >200 injections. A demonstration for using the in-line gel-filtration system is shown for monitoring the exchange of fatty acids from the pocket of a nuclear hormone receptor, peroxisome proliferator activator-delta (PPARdelta) with a tool compound. Additional utilities of in-line gel-filtration mass spectrometry system will also be discussed.

Designing of a self-adaptive digital filter using genetic algorithm

NASA Astrophysics Data System (ADS)

Geng, Xuemei; Li, Hongguang; Xu, Chi

2018-04-01

This paper presents a novel methodology applying non-linear model for closed loop Sigma-Delta modulator that is based on genetic algorithm, which offers opportunity to simplify the process of tuning parameters and further improve the noise performance. The proposed Sigma-Delta modulator is able to quickly and efficiently design high performance, high order, closed loop that are robust to sensor fabrication tolerances. Simulation results with respect to the proposed Sigma-Delta modulator, SNR>122dB and the noise floor under -170dB are obtained in frequency range of [5-150Hz]. In further simulation, the robustness of the proposed Sigma-Delta modulator is analyzed.

In vitro dynamic solubility test: influence of various parameters.

PubMed Central

Thélohan, S; de Meringo, A

1994-01-01

This article discusses the dissolution of mineral fibers in simulated physiological fluids (SPF), and the parameters that affect the solubility measurement in a dynamic test where an SPF runs through a cell containing fibers (Scholze and Conradt test). Solutions simulate either the extracellular fluid (pH 7.6) or the intracellular fluid (pH 4.5). The fibers have various chemical compositions and are either continuously drawn or processed as wool. The fiber solubility is determined by the amount of SiO2 (and occasionally other ions) released in the solution. Results are stated as percentage of the initial silica content released or as dissolution rate v in nm/day. The reproducibility of the test is higher with the less soluble fibers (10% solubility), than with highly soluble fibers (20% solubility). The influence of test parameters, including SPF, test duration, and surface area/volume (SA/V), has been studied. The pH and the inorganic buffer salts have a major influence: industrial glasswool composition is soluble at pH 7.6 but not at pH 4.5. The opposite is true for rock- (basalt) wool composition. For slightly soluble fibers, the dissolution rate v remains constant with time, whereas for highly soluble fibers, the dissolution rate decreases rapidly. The dissolution rates believed to occur are v1, initial dissolution rate, and v2, dissolution rate of the residual fibers. The SA of fibers varies with the mass of the fibers tested, or with the fiber diameter at equal mass. Volume, V, is the chosen flow rate. An increase in the SA/V ratio leads to a decrease in the dissolution rate.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7882964

In vitro dynamic solubility test: influence of various parameters.

PubMed

Thélohan, S; de Meringo, A

1994-10-01

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

An analysis of the errors associated with the determination of atmospheric temperature from atmospheric pressure and density data

NASA Technical Reports Server (NTRS)

Minzner, R. A.

1976-01-01

A graph was developed for relating delta T/T, the relative uncertainty in atmospheric temperature T, to delta p/p, the relative uncertainty in the atmospheric pressure p, for situations, when T is derived from the slope of the pressure-height profile. A similar graph relates delta T/T to delta roh/rho, the relative uncertainty in the atmospheric density rho, for those cases when T is derived from the downward integration of the density-height profile. A comparison of these two graphs shows that for equal uncertainties in the respective basic parameters, p or rho, smaller uncertainties in the derived temperatures are associated with density-height rather than with pressure-height data. The value of delta T/T is seen to depend not only upon delta p or delta rho, and to a small extent upon the value of T or the related scale height H, but also upon the inverse of delta h, the height increment between successive observations of p or rho. In the case of pressure-height data, delta T/T is dominated by 1/delta h for all values of delta h; for density-height data, delta T/T is dominated by delta rho/rho for delta h smaller than about 5 km. In the case of T derived from density-height data, this inverse relationship between delta T/T and delta h applies only for large values of delta h, that is, for delta h 35 km. No limit exists in the fineness of usable height resolution of T which may be derived from densities, while a fine height resolution in pressure-height data leads to temperature with unacceptably large uncertainties.

Specific inspiratory muscle warm-up enhances badminton footwork performance.

PubMed

Lin, Hua; Tong, Tom Kwokkeung; Huang, Chuanye; Nie, Jinlei; Lu, Kui; Quach, Binh

2007-12-01

The effects of inspiratory muscle (IM) warm-up on IM function and on the maximum distance covered in a subsequent incremental badminton-footwork test (FWmax) were examined. Ten male badminton players were recruited to perform identical tests in three different trials in a random order. The control trial did not involve an IM warm-up, whereas the placebo and experimental trials did involve an IM warm-up consisting of two sets of 30-breath manoeuvres with an inspiratory pressure-threshold load equivalent to 15% (PLA) and 40% (IMW) maximum inspiratory mouth pressure, respectively. In the IMW trial, IM function was improved with 7.8%+/-4.0% and 6.9%+/-3.5% increases from control found in maximal inspiratory pressure at zero flow (P0) and maximal rate of P0 development (MRPD), respectively (p<0.05). FWmax was enhanced 6.8%+/-3.7%, whereas the slope of the linear relationship of the increase in the rating of perceived breathlessness for every minute (RPB/min) was reduced (p<0.05). Reduction in blood lactate ([La-]b) accumulation was observed when the test duration was identical to that of the control trial (P<0.05). In the PLA trial, no parameter was changed from control. For the changes (Delta) in parameters in IMW (n=10), negative correlations were found between DeltaP0 and DeltaRPB/min (r2=0.58), DeltaMRPD and DeltaRPB/min (r2=0.48), DeltaRPB/min, and DeltaFWmax (r2=0.55), but not between Delta[La-]b accumulation and DeltaFWmax. Such findings suggest that the IM-specific warm-up improved footwork performance in the subsequent maximum incremental badminton-footwork test. The improved footwork was partly attributable to the reduced breathless sensation resulting from the enhanced IM function, whereas the contribution of the concomitant reduction in [La-]b accumulation was relatively minor.

Oil shale extraction using super-critical extraction

NASA Technical Reports Server (NTRS)

Compton, L. E. (Inventor)

1983-01-01

Significant improvement in oil shale extraction under supercritical conditions is provided by extracting the shale at a temperature below 400 C, such as from about 250 C to about 350 C, with a solvent having a Hildebrand solubility parameter within 1 to 2 Hb of the solubility parameter for oil shale bitumen.

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

Michaels, K.F.; Lange, W.F. III; Bradley, J.R.

The Kaufman approach to phase equilibria involving primarily the fcc, bcc, and hcp phases was examined outside the Group Nos. 4 to 10 range where it is customarily employed. The stability parameters ($delta$H and $delta$S of transformation) for most elements in the Group Nos. 1 to 3 region were found to fit satisfactorily the correlation curves of stability parameter vs group no.; some of the parameters for Al, Be, Mg, and Ti, however, did not. The rare earth parameters fit well in the Group No. 3.5 position they were expected to occupy. A sample phase diagram calculated between two Groupmore » 1 elements was in good agreement with experiment. Phase boundaries of fcc + bcc regions adjacent to terminal solid solutions in several Group 1/Group 2 and Group 1/Group 3 systems, on the other hand, were quite unsatisfactory. This difficulty was traced to the high, positive regular solution constants calculated for both phases. Such constants were shown to result from the downward concavity of a plot of enthalpy of vaporization vs Group No. in the Nos. 1 to 3 region; in the Nos. 4 to 10 range this plot is concave upward. (auth)« less

Quantitation of buried contamination by use of solvents. Part 1: Solvent degradation of amine cured epoxy resins

NASA Technical Reports Server (NTRS)

Rheineck, A. E.; Heskin, R. A.; Hill, L. W.

1972-01-01

The solubility and/or swelling of cured epoxy resins was studied using the solubility parameter method. Determination of solubility parameters were found in order to select solvents for solvent-assisted degradation of cured epoxy polymers used in spacecraft. A method for improving recovery of seeded spores is suggested for assay of buried contaminants. Three commercial epoxy resins were cured using four different alkyl amines. For each resin-amine combination, three levels of amine were used, corresponding to 1/3, 2/3, and all of the amine required to react with the oxirane groups of the resin. The solubility parameters of the 36 resulting model compounds were determined in poorly and moderately hydrogen-bonded solvents. No strongly hydrogen-bonded solvents caused dissolution or swelling. The tolerance of cured resins is discussed in terms of polymer structure.

Kinetics and mechanism of degradation of some 2-sulfanilamidopyrimidine derivatives. Part III. The use of Hammett equation for kinetic investigation of 2-sulfanilamidopyrimidine derivatives autoxidation.

PubMed

Zajac, M

1977-01-01

General first-order rate constants for autoxidation of sulfadiazine, sulfamerazine, sulfadimidine, sulfaperine and sulfamethoxydiazine in the air oxygen atmosphere, in solutions of pH 4-7, at 403, 411 and 418 K were determined from the absorbance measurements in 0-1 mole/dm3 HCl at 243 or 333 nm, using the so-called "subtraction technique". The thermodynamic parameters of this reaction were determined (deltaHa, deltaH not equal to, deltaS not equal to, deltaG not equal to and logA). The effect of the substituents in positions 4, 5 and 6 of the pyrimidine ring on the rate of autoxidation was interpreted in terms of the Hammett equation.

[Evaluation of inverse gas chromatography (IGC) methods to measure astragaloside solubility parameter from Buyang Huanwu decoction].

PubMed

Tang, Yu; Hu, Chao; Liao, Qiong; Liu, Wen-long; Yang, Yan-tao; He, Hong; He, Fu-yuan

2015-01-01

The solubility parameter determination of astrageloside from Buyang Huanwu decoction with inverse gas chromatography (IGC) method evaluation was investigated in this paper. Di-n-octyl phthalate Kwai alternative sample was used to carry out methodological study. The accuracy of the measured correlation coefficient was 0.992 1. Experimental precision measured by IGC experiments showed that the results were accurate and reliable. The sample was uniformly coated on the surface of an inert carrier and N2 gas was carrier gas, a variety of polar solvents such as isopropanol, toluene, acetone, chloroform, cyclohexane as probes. TCD detector temperature was 150 degrees C, gas room temperature was 120 degrees C. Similar headspace method was used whichever over 1 μL gas into the GC measurement, Retention time t(R), t(0) and all the parameters of air and probes molecules within the column were tested. Astragaloside solubility parameter was (21.02 ± 2.4) [J x cm(-3)] ½, literature value was 19.24 [J x cm(-3)] ½, and relevant coefficient was 0.984 5. IGC method is effective and accurate to measure ingredients solubility parameter.

Status of the Cabibbo-Kobayashi-Maskawa matrix and Unitarity Triangle fits

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

Bona, M.; Ciuchini, M.; INFN, Sez. di Roma III, Rome

2007-01-12

status of the Unitarity Triangle analysis realized by the UTfit Collaboration is presented. The most recent determinations of theoretical and experimental parameters are used in order to over-constrain the apex of the Unitarity Triangle in the Standard Model. In addition, we present the analysis of the Unitarity Triangle beyond the Standard Model, by parametrizing New Physics contributions in {delta}F = 2 processes. With the new measurements from the Tevatron, namely the mass difference {delta}ms, the width difference {delta}{gamma}s and the di-muon asymmetry, it is possible to establish significant bounds on New Physics parameters also in the Bs sector. The resultsmore » and the plots presented in this paper can be found at the URL http://www.utfit.org, where they are continuously kept up-to-date.« less

Phase Diagram of Spin-1/2 Alternating Ferromagnetic Chain with XY-Like Anisotropy

NASA Astrophysics Data System (ADS)

Yoshida, Satoru; Okamoto, Kiyomi

1989-12-01

By the use of the numerical method we investigate the ground state phase diagram of spin-1/2 alternating ferromagnetic chain. We numerically diagonalized the Hamiltonian of finite systems (up to 20 spins) and analyzed the numerical data for various physical quantities using the finite size scaling and the extrapolation methods. The ground state is either the effective singlet (ES) state or the spin fluid (SF) state depending on the value of the alternation parameter δ and the anisotropy parameter \\varDelta{\\equiv}Jz/J\\bot(\\varDelta{=}{-}1 for the isotropic ferromagnetic case and \\varDelta{=}0 for the XY case). The phase diagram obtained in this work strongly stupports the theoretical studies of Kohmoto-den Nijs-Kadanoff and Okamoto-Sugiyama. We also discuss the critical properties near the ES-SF transition line.

A Correlation Between the Heat Affected Zone Microstructure and the Thermal History During Welding of HY-130 Steel.

DTIC Science & Technology

1981-09-01

Engineers, Vol. 162, n 223, 1945. 16. Grange, R. A. and Baughman, R. W., "Hardness of Tempered Martensite in Carbon and Low Alloy Steels ," Transactions...One possible explanation is the forma- tion of the delta ferrite phase (with its attendant very low carbon solubility) in the vicinity of the fusion...32 18. isothermal Transformation Diagram for HY-130 (T) Steel -------------------------------------------- 3 19. Peak Temperature vs

Assessment of the thermodynamic properties of poly(2,2,2-trifluoroethyl methacrylate) by inverse gas chromatography.

PubMed

Papadopoulou, Stella K; Panayiotou, Costas

2014-01-10

The thermodynamic properties of poly(2,2,2-trifluoroethyl methacrylate) (PTFEMA) were determined by the aid of the inverse gas chromatography technique (IGC), at infinite dilution. The interactions between the polymer and 15 solvents were examined in the temperature range of 120-150 °C via the estimation of the thermodynamic sorption parameters, the parameters of mixing at infinite dilution, the weight fraction activity coefficients and the Flory-Huggins interaction parameters. Additionally, the total and the partial solubility parameters of PTFEMA were estimated. The findings of this work indicate that the type and strength of the intermolecular interactions between the polymer and the solvents are strongly depended on the functional groups of the polymer and the solvents. The proton acceptor character of the polymer is responsible for the preferential solubility of PTFEMA in chloroform which acts as a proton donor solvent. The results also reveal that the polymer is insoluble in alkanes and alcohols whereas it presents good miscibility with polar solvents, especially with 2-butanone, 2-pentanone and 1,4-dioxane. Furthermore, the total and dispersive solubility parameters appear diminishing upon temperature rise, whereas the opposite behavior is noticed for the polar and hydrogen bonding solubility parameters. The latter increase with temperature, probably, due to conformational changes of the polymer on the solid support. Finally, comparison of the solubilization profiles of fluorinated methacrylic polymers studied by IGC, leads to the conclusion that PTFEMA is more soluble compared to polymers with higher fluorine content. Copyright © 2013 Elsevier B.V. All rights reserved.

Investigating the Stability of Four Methods for Estimating Item Bias.

ERIC Educational Resources Information Center

Perlman, Carole L.; And Others

The reliability of item bias estimates was studied for four methods: (1) the transformed delta method; (2) Shepard's modified delta method; (3) Rasch's one-parameter residual analysis; and (4) the Mantel-Haenszel procedure. Bias statistics were computed for each sample using all methods. Data were from administration of multiple-choice items from…

Probing the Energetics of Antigen-Antibody Recognition by Titration Microcalorimetry

PubMed

Jelesarov; Leder; Bosshard

1996-06-01

Our understanding of the energetics that govern antigen-antibody recognition lags behind the increasingly rapid accumulation of structural information on antigen-antibody complexes. Thanks to the development of highly sensitive microcalorimeters, the thermodynamic parameters of antigen-antibody interactions can now be measured with precision and using only nanomole quantities of protein. The method of choice is isothermal titration calorimetry, in which a solution of the antibody (or antigen) is titrated with small aliquots of the antigen (or antibody) and the heat change accompanying the formation of the antigen-antibody complex is measured with a sensitivity as high as 0.1 μcal s-1. The free energy of binding (DeltaG), the binding enthalpy (DeltaH), and the binding entropy (DeltaS) are usually obtained from a single experiment, and no spectroscopic or radioactive label must be introduced into the antigen or antibody. The often large and negative change in heat capacity (DeltaCp) accompanying the formation of an antigen-antibody complex is obtained from DeltaH measured at different temperatures. The basic theory and the principle of the measurements are reviewed and illustrated by examples. The thermodynamic parameters relate to the dynamic physical forces that govern the association of the freely moving antigen and antibody into a well-structured and unique complex. This information complements the static picture of the antigen-antibody complex that results from X-ray diffraction analysis. Attempts to correlate dynamic and static aspects are discussed briefly.

Studies of oxygen-helium discharges for use in electric oxygen-iodine lasers

NASA Astrophysics Data System (ADS)

Zimmerman, Joseph William

In recent work, the performance of the Electric Oxygen-Iodine Laser (ElectricOIL), developed in partnership by researchers at the University of Illinois and CU Aerospace, has been greatly improved through systematic study of various components of this new laser technology. One major contribution to the advancement of ElectricOIL technology has been the development of electric discharges capable of producing significant flow rates of the precursor electronically-excited molecular oxygen, O2(a1Delta). O2(a 1Delta) serves as an energy reservoir in the laser system, pumping atomic iodine by near-resonant energy transfer producing gain and laser on the I(2P1/2) → I(2P3/2 ) transition at 1315 nm. Initial experimental work with radio-frequency discharges showed the importance of controlling O-atom flow rates to reduce quenching losses of energy stored in O2(a1Delta), and determined proper selection of the helium diluent ratio and specific power deposition (power per O2 flow rate). Further experimental investigations with transverse capacitive radio-frequency discharges in O2/He/NO mixtures in the pressure range of 1-100 Torr and power range of 0.1-1.2 kW have indicated that O2(a1Delta) production is a strong function of geometry (transverse gap), excitation frequency, and pressure. These parameters along with gas flow mixture dictate the current density at which the discharge operates, and its modal characteristics (normal vs. abnormal, homogeneous vs. inhomogeneous). A key result is that to encourage efficient O2(a1Delta) production these parameters should be selected in order to promote a homogeneous (low current density) discharge. The discharge behavior is characterized using terminal current-voltage-characteristics, microwave interferometer measurements, and plasma emission intensity measurements. Numerous spectroscopic measurements of O2(a1Delta), oxygen atoms, and discharge excited states are made in order to describe the discharge performance dependent on various parameters. The influence of NO on O-atom flow rates and O2(a1Delta) production is investigated. Progress of laser power extraction since initial reports in 2005 is overviewed.

Turbidity and salinity affect feeding performance and physiological stress in the endangered delta smelt.

PubMed

Hasenbein, Matthias; Komoroske, Lisa M; Connon, Richard E; Geist, Juergen; Fangue, Nann A

2013-10-01

Coastal estuaries are among the most heavily impacted ecosystems worldwide with many keystone fauna critically endangered. The delta smelt (Hypomesus transpacificus) is an endangered pelagic fish species endemic to the Sacramento-San Joaquin Estuary in northern California, and is considered as an indicator species for ecosystem health. This ecosystem is characterized by tidal and seasonal gradients in water parameters (e.g., salinity, temperature, and turbidity), but is also subject to altered water-flow regimes due to water extraction. In this study, we evaluated the effects of turbidity and salinity on feeding performance and the stress response of delta smelt because both of these parameters are influenced by water flows through the San Francisco Bay Delta (SFBD) and are known to be of critical importance to the completion of the delta smelt's life cycle. Juvenile delta smelt were exposed to a matrix of turbidities and salinities ranging from 5 to 250 nephelometric turbidity units (NTUs) and 0.2 to 15 parts per thousand (ppt), respectively, for 2 h. Best statistical models using Akaike's Information Criterion supported that increasing turbidities resulted in reduced feeding rates, especially at 250 NTU. In contrast, best explanatory models for gene transcription of sodium-potassium-ATPase (Na/K-ATPase)-an indicator of osmoregulatory stress, hypothalamic pro-opiomelanocortin-a precursor protein to adrenocorticotropic hormone (expressed in response to biological stress), and whole-body cortisol were affected by salinity alone. Only transcription of glutathione-S-transferase, a phase II detoxification enzyme that protects cells against reactive oxygen species, was affected by both salinity and turbidity. Taken together, these data suggest that turbidity is an important determinant of feeding, whereas salinity is an important abiotic factor influencing the cellular stress response in delta smelt. Our data support habitat association studies that have shown greater delta smelt abundances in the low-salinity zone (0.5-6.0 ppt) of San Francisco Bay, a zone that is also understood to have optimal turbidities. By determining the responses of juvenile delta smelt to key abiotic factors, we hope to aid resource managers in making informed decisions in support of delta smelt conservation.

Protein solubility modeling

NASA Technical Reports Server (NTRS)

Agena, S. M.; Pusey, M. L.; Bogle, I. D.

1999-01-01

A thermodynamic framework (UNIQUAC model with temperature dependent parameters) is applied to model the salt-induced protein crystallization equilibrium, i.e., protein solubility. The framework introduces a term for the solubility product describing protein transfer between the liquid and solid phase and a term for the solution behavior describing deviation from ideal solution. Protein solubility is modeled as a function of salt concentration and temperature for a four-component system consisting of a protein, pseudo solvent (water and buffer), cation, and anion (salt). Two different systems, lysozyme with sodium chloride and concanavalin A with ammonium sulfate, are investigated. Comparison of the modeled and experimental protein solubility data results in an average root mean square deviation of 5.8%, demonstrating that the model closely follows the experimental behavior. Model calculations and model parameters are reviewed to examine the model and protein crystallization process. Copyright 1999 John Wiley & Sons, Inc.

Growth laws for delta crevasses in the Mississippi River Delta: observations and modeling

NASA Astrophysics Data System (ADS)

Yocum, T. A.; Georgiou, I. Y.

2016-02-01

River deltas are accumulations of sedimentary deposits delivered by rivers via a network of distributary channels. Worldwide they are threatened by environmental changes, including subsidence, global sea level rise and a suite of other local factors. In the Mississippi River Delta (MRD) these impacts are exemplified, and have led to proposed solutions to build land that include sediment diversions, thereby reinitiating the delta cycle. While economically efficient, there are too few analogs of small deltas aside from laboratory studies, numerical modeling studies, theoretical approaches, and limited field driven observations. Anthropogenic crevasses in the modern delta are large enough to overcome limitations of laboratory deltas, and small enough to allow for "rapid" channel and wetland development, providing an ideal setting to investigate delta development mechanics. Crevasse metrics were obtained using a combination of geospatial tools, extracting key parameters (bifurcation length and width, channel order and depth) that were non-dimensionalized and compared to river-dominated delta networks previously studied. Analysis showed that most crevasses in the MRD appear to obey delta growth laws and delta allometry relationships, suggesting that crevasses do exhibit similar planform metrics to larger Deltas; the distance to mouth bar versus bifurcation order demonstrated to be a very reasonable first order estimate of delta-top footprint. However, some crevasses exhibited different growth metrics. To better understand the hydrodynamic and geomorphic controls governing crevasse evolution in the MRD, we assess delta dynamics via a suite of field observations and numerical modeling in both well-established and newly constructed crevasses. Our analysis suggests that delta development is affected by the relative influence of external (upstream and downstream) and internal controls on the hydrodynamic and sediment transport patterns in these systems.

Studies on battery repair and recycling workers occupationally exposed to lead in Karachi.

PubMed

Haider, Muhammad Jamal; Qureshi, Naeemullah

2013-01-01

OBJECTIVE. The present study was carried out to investigate the effects of occupational lead exposure on the hematological and biochemical parameters in occupationally exposed and non exposed inhabitants of Karachi. MATERIAL AND METHODS. In 100 lead exposed subjects recruited from automobile workshops, lead battery repair and recycling units located in Karachi and in 100 control subjects the general health status, hematological parameters and exposure markers for lead were measured. RESULTS. Results indicated that the mean values of blood lead level and delta-aminolevulinic acid were significantly higher (P<0.05) while the activity of delta-aminolevulinic acid dehydratase were significantly decreased (P<0.05) among battery repair and recycling workers as compared to controls. The abnormalities in the blood lead level, delta-aminolevulinic acid and delta-aminolevulinic acid dehydratase were more frequent in lead exposed battery repair workers when compared with control subjects. The blood lead levels and deltaaminolevulinic acid were positively correlated while delta-aminolevulinic acid dehydratase was found to be negatively correlated with age, years of exposure and years of employment. Blood lead level was positively correlated with hemoglobin and RBC count while delta-aminolevulinic acid dehydratase was negatively correlated with hemoglobin concentration. The work related symptoms, droopiness, nasal symptoms and muscular pain were more frequent among battery repair workers as compared to control group. The findings of present study confirmed that occupational exposure to lead is associated with deviation in important hematological parameters and biological markers of exposure to lead among lead exposed workers, and also confirms the impact of lead exposure in the development of adverse effects among lead exposed workers. The study provides the data for risk assessment in lead battery repair workers of Karachi and suggests the need for preventive measures for battery repair workers and improvements to reduce occupational lead exposures to protect them from lead toxicity. It is suggested that hematological and physical examinations of lead exposed workers should be carried out periodically to prevent future health hazards.

The influence of various excipients on the conversion kinetics of carbamazepine polymorphs in aqueous suspension.

PubMed

Tian, Fang; Saville, Dorothy J; Gordon, Keith C; Strachan, Clare J; Zeitler, J Axel; Sandler, Niklas; Rades, Thomas

2007-02-01

The influence of various excipients on the conversion of carbamazepine polymorphs to the dihydrate in aqueous suspension has been investigated. Ten excipients having functional groups which were potentially able to form hydrogen bonds with carbamazepine (group 1: methylcellulose, hypromellose (hydroxypropyl methylcellulose), hydroxypropylcellulose (HPC), 2-hydroxyethylcellulose (HEC), carmellose sodium (sodium carboxymethylcellulose), cellobiose; group 2: povidone (polyvinylpyrrolidone), povidone-vinyl acetate copolymer (povidone/VA) and N-methyl-2-pyrrolidone; group 3: macrogol (polyethylene glycol) and polyethylene oxide-polypropylene oxide copolymer (PEO/PPO)) were selected. Carbamazepine polymorphic forms III and I were dispersed separately into each aqueous excipient solution (0.1%, w/v) for 30 min at room temperature. The inhibition effect of each excipient was quantified using Raman spectroscopy combined with multivariate analyses. The solubility parameter of each excipient was calculated and used for categorizing excipients. Excipients in groups 1 and 2, which had both low solubility parameters (< 27.0 MPa(1/2)) and strong hydrogen bonding groups, inhibited the conversion completely. With increasing solubility parameter, the inhibition effect decreased for group 1 excipients, especially for carbamazepine form I, which had a higher specific surface area. Also, the excipients of group 3, lacking strong hydrogen bonding groups, showed poor inhibition although they had low solubility parameters (< 21.0 MPa(1/2)). This study indicated the importance of both hydrogen bonding interaction and a suitable hydrophobicity (expressed by the solubility parameter) in the inhibition of the conversion of carbamazepine to the dihydrate.

Genetics algorithm optimization of DWT-DCT based image Watermarking

NASA Astrophysics Data System (ADS)

Budiman, Gelar; Novamizanti, Ledya; Iwut, Iwan

2017-01-01

Data hiding in an image content is mandatory for setting the ownership of the image. Two dimensions discrete wavelet transform (DWT) and discrete cosine transform (DCT) are proposed as transform method in this paper. First, the host image in RGB color space is converted to selected color space. We also can select the layer where the watermark is embedded. Next, 2D-DWT transforms the selected layer obtaining 4 subband. We select only one subband. And then block-based 2D-DCT transforms the selected subband. Binary-based watermark is embedded on the AC coefficients of each block after zigzag movement and range based pixel selection. Delta parameter replacing pixels in each range represents embedded bit. +Delta represents bit “1” and -delta represents bit “0”. Several parameters to be optimized by Genetics Algorithm (GA) are selected color space, layer, selected subband of DWT decomposition, block size, embedding range, and delta. The result of simulation performs that GA is able to determine the exact parameters obtaining optimum imperceptibility and robustness, in any watermarked image condition, either it is not attacked or attacked. DWT process in DCT based image watermarking optimized by GA has improved the performance of image watermarking. By five attacks: JPEG 50%, resize 50%, histogram equalization, salt-pepper and additive noise with variance 0.01, robustness in the proposed method has reached perfect watermark quality with BER=0. And the watermarked image quality by PSNR parameter is also increased about 5 dB than the watermarked image quality from previous method.

Thermodynamics of concentrated electrolyte mixtures and the prediction of mineral solubilities to high temperatures for mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O

NASA Astrophysics Data System (ADS)

Pabalan, Roberto T.; Pitzer, Kenneth S.

1987-09-01

Mineral solubilities in binary and ternary electrolyte mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O are calculated to high temperatures using available thermodynamic data for solids and for aqueous electrolyte solutions. Activity and osmotic coefficients are derived from the ion-interaction model of Pitzer (1973, 1979) and co-workers, the parameters of which are evaluated from experimentally determined solution properties or from solubility data in binary and ternary mixtures. Excellent to good agreement with experimental solubilities for binary and ternary mixtures indicate that the model can be successfully used to predict mineral-solution equilibria to high temperatures. Although there are currently no theoretical forms for the temperature dependencies of the various model parameters, the solubility data in ternary mixtures can be adequately represented by constant values of the mixing term θ ij and values of ψ ijk which are either constant or have a simple temperature dependence. Since no additional parameters are needed to describe the thermodynamic properties of more complex electrolyte mixtures, the calculations can be extended to equilibrium studies relevant to natural systems. Examples of predicted solubilities are given for the quaternary system NaCl-KCl-MgCl 2-H 2O.

Use of the Flory-Huggins theory to predict the solubility of nifedipine and sulfamethoxazole in the triblock, graft copolymer Soluplus.

PubMed

Altamimi, Mohammad A; Neau, Steven H

2016-01-01

Drug dispersed in a polymer can improve bioavailability; dispersed amorphous drug undergoes recrystallization. Solid solutions eliminate amorphous regions, but require a measure of the solubility. Use the Flory-Huggins Theory to predict crystalline drugs solubility in the triblock, graft copolymer Soluplus® to provide a solid solution. Physical mixtures of the two drugs with similar melting points but different glass forming ability, sulfamethoxazole and nifedipine, were prepared with Soluplus® using a quick technique. Drug melting point depression (MPD) was measured using differential scanning calorimetry. The Flory-Huggins Theory allowed: (1) interaction parameter, χ, calculation using MPD data to provide a measure of drug-polymer interaction strength and (2) estimation of the free energy of mixing. A phase diagram was constructed with the MPD data and glass transition temperature (Tg) curves. The interaction parameters with Soluplus® and the free energy of mixing were estimated. Drug solubility was calculated by the intersection of solubility equations and that of MPD and Tg curves in the phase diagram. Negative interaction parameters indicated strong drug-polymer interactions. The phase diagram and solubility equations provided comparable solubility estimates for each drug in Soluplus®. Results using the onset of melting rather than the end of melting support the use of the onset of melting. The Flory-Huggins Theory indicates that Soluplus® interacts effectively with each drug, making solid solution formation feasible. The predicted solubility of the drugs in Soluplus® compared favorably across the methods and supports the use of the onset of melting.

Use of the Flory-Huggins theory to predict the solubility of nifedipine and sulfamethoxazole in the triblock, graft copolymer Soluplus.

PubMed

Altamimi, Mohammad A; Neau, Steven H

2016-03-01

Drug dispersed in a polymer can improve bioavailability; dispersed amorphous drug undergoes recrystallization. Solid solutions eliminate amorphous regions, but require a measure of the solubility. Use the Flory-Huggins Theory to predict crystalline drugs solubility in the triblock, graft copolymer Soluplus® to provide a solid solution. Physical mixtures of the two drugs with similar melting points but different glass forming ability, sulfamethoxazole and nifedipine, were prepared with Soluplus® using a quick technique. Drug melting point depression (MPD) was measured using differential scanning calorimetry. The Flory-Huggins Theory allowed: (1) interaction parameter, χ, calculation using MPD data to provide a measure of drug-polymer interaction strength and (2) estimation of the free energy of mixing. A phase diagram was constructed with the MPD data and glass transition temperature (T g ) curves. The interaction parameters with Soluplus® and the free energy of mixing were estimated. Drug solubility was calculated by the intersection of solubility equations and that of MPD and T g curves in the phase diagram. Negative interaction parameters indicated strong drug-polymer interactions. The phase diagram and solubility equations provided comparable solubility estimates for each drug in Soluplus®. Results using the onset of melting rather than the end of melting support the use of the onset of melting. The Flory-Huggins Theory indicates that Soluplus® interacts effectively with each drug, making solid solution formation feasible. The predicted solubility of the drugs in Soluplus® compared favorably across the methods and supports the use of the onset of melting.

Isolation and characterization of a cDNA clone coding for a glutathione S-transferase class delta enzyme from the biting midge Culicoides variipennis sonorensis Wirth and Jones.

PubMed

Abdallah, M A; Pollenz, R S; Droog, F N; Nunamaker, R A; Tabachnick, W J; Murphy, K E

2000-12-01

Culicoides variipennis sonorensis is the primary vector of bluetongue viruses in North America. Glutathione S-transferases (GSTs) are enzymes that catalyze nucleophilic substitutions, converting reactive lipophilic molecules into soluble conjugates. Increased GST activity is associated with development of insecticide resistance. Described here is the isolation of the first cDNA encoding a C. variipennis GST. The clone consists of 720 translated bases encoding a protein with a M(r) of approximately 24,800 composed of 219 amino acids. The deduced amino acid sequence is similar (64%-74%) to class Delta (previously named Theta) GSTs from the dipteran genera Musca, Drosophila, Lucilia and Anopheles. The cDNA was subcloned into pET-11b, expressed in Epicurian coli BL21 (DE3) and has a specific activity of approximately 28,000 units/mg for the substrate 1-chloro-2,4-dinitrobenzene.

New simple A{sub 4} neutrino model for nonzero {theta}{sub 13} and large {delta}{sub CP}

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

Ishimori, Hajime

In a new simple application of the non-Abelian discrete symmetry A{sub 4} to charged-lepton and neutrino mass matrices, we show that for the current experimental central value of sin{sup 2} 2{theta}{sub 13} Asymptotically-Equal-To 0.1, leptonic CP violation is necessarily large, i.e. Double-Vertical-Line tan{delta}{sub CP} Double-Vertical-Line > 1.3. We also consider T{sub 7} model with one parameter to be complex, thus allowing for one Dirac CP phase {delta}{sub CP} and two Majorana CP phases {alpha}{sub 1,2}. We find a slight modification to this correlation as a function of {delta}{sub CP}. For a given set of input values of {Delta}m{sup 2}{sub 21},more » {Delta}m{sup 2}{sub 32}, {theta}{sub 12}, and {theta}{sub 13}, we obtain sin{sup 2} 2{theta}{sub 23} and m{sub ee} (the effective Majorana neutrino mass in neutrinoless double beta decay) as functions of tan {delta}{sub CP}. We find that the structure of this model always yields small Double-Vertical-Line tan {delta}{sub CP} Double-Vertical-Line .« less

Coal desulfurization

NASA Technical Reports Server (NTRS)

Corcoran, William H. (Inventor); Vasilakos, Nicholas P. (Inventor); Lawson, Daniel D. (Inventor)

1982-01-01

A method for enhancing solubilizing mass transport of reactive agents into and out of carbonaceous materials, such as coal. Solubility parameters of mass transfer and solvent media are matched to individual peaks in the solubility parameter spectrum of coals to enhance swelling and/or dissolution. Methanol containing reactive agent carriers are found particularly effective for removing organic sulfur from coals by chlorinolysis.

EFFECTS OF INHALATION OF SOLUBLE METALLIC CONSTITUENTS OF PARTICULATE MATTER ON CARDIOPULMONARY, THERMOREGULATORY, AND BIOCHEMICAL PARAMETERS IN GUINEA PIGS

EPA Science Inventory

EFFECTS OF INHALATION OF SOLUBLE METALLIC CONSTITUENTS OF PARTICULATE MATTER ON CARDIOPULMONARY, THERMOREGULATORY, AND BIOCHEMICAL PARAMETERS IN GUINEA PIGS. JP Nolan1, LB Wichers2, J Stanek3, UP Kodavanti1, MCJ Schladweiler1, PA Evansky1, ER Lappi1, DL Costa1, and WP Watkinson1...

Inferring thermodynamic stability relationship of polymorphs from melting data.

PubMed

Yu, L

1995-08-01

This study investigates the possibility of inferring the thermodynamic stability relationship of polymorphs from their melting data. Thermodynamic formulas are derived for calculating the Gibbs free energy difference (delta G) between two polymorphs and its temperature slope from mainly the temperatures and heats of melting. This information is then used to estimate delta G, thus relative stability, at other temperatures by extrapolation. Both linear and nonlinear extrapolations are considered. Extrapolating delta G to zero gives an estimation of the transition (or virtual transition) temperature, from which the presence of monotropy or enantiotropy is inferred. This procedure is analogous to the use of solubility data measured near the ambient temperature to estimate a transition point at higher temperature. For several systems examined, the two methods are in good agreement. The qualitative rule introduced this way for inferring the presence of monotropy or enantiotropy is approximately the same as The Heat of Fusion Rule introduced previously on a statistical mechanical basis. This method is applied to 96 pairs of polymorphs from the literature. In most cases, the result agrees with the previous determination. The deviation of the calculated transition temperatures from their previous values (n = 18) is 2% on average and 7% at maximum.

Dipole and nondipole photoionization of molecular hydrogen

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

Zimmermann, B.; McKoy, V.; Southworth, S. H.

2015-05-01

We describe a theoretical approach to molecular photoionization that includes first-order corrections to the dipole approximation. The theoretical formalism is presented and applied to photoionization of H-2 over the 20-to 180-eV photon energy range. The angle-integrated cross section sigma, the electric dipole anisotropy parameter beta(e), the molecular alignment anisotropy parameter beta(m), and the first-order nondipole asymmetry parameters gamma and delta were calculated within the single-channel, static-exchange approximation. The calculated parameters are compared with previous measurements of sigma and beta(m) and the present measurements of beta(e) and gamma + 3 delta. The dipole and nondipole angular distribution parameters were determined simultaneouslymore » using an efficient, multiangle measurement technique. Good overall agreement is observed between the magnitudes and spectral variations of the calculated and measured parameters. The nondipole asymmetries of He 1s and Ne 2p photoelectrons were also measured in the course of this work.« less

A Thermodynamic Approach for Modeling H2O-CO2 Solubility in Alkali-rich Mafic Magmas at Mid-crustal Pressures

NASA Astrophysics Data System (ADS)

Allison, C. M.; Roggensack, K.; Clarke, A. B.

2017-12-01

Volatile solubility in magmas is dependent on several factors, including composition and pressure. Mafic (basaltic) magmas with high concentrations of alkali elements (Na and K) are capable of dissolving larger quantities of H2O and CO2 than low-alkali basalt. The exsolution of abundant gases dissolved in alkali-rich mafic magmas can contribute to large explosive eruptions. Existing volatile solubility models for alkali-rich mafic magmas are well calibrated below 200 MPa, but at greater pressures the experimental data is sparse. To allow for accurate interpretation of mafic magmatic systems at higher pressures, we conducted a set of mixed H2O-CO2 volatile solubility experiments between 400 and 600 MPa at 1200 °C in six mafic compositions with variable alkali contents. Compositions include magmas from volcanoes in Italy, Antarctica, and Arizona. Results from our experiments indicate that existing volatile solubility models for alkali-rich mafic magmas, if extrapolated beyond their calibrated range, over-predict CO2 solubility at mid-crustal pressures. Physically, these results suggest that volatile exsolution can occur at deeper levels than what can be resolved from the lower-pressure experimental data. Existing thermodynamic models used to calculate volatile solubility at different pressures require two experimentally derived parameters. These parameters represent the partial molar volume of the condensed volatile species in the melt and its equilibrium constant, both calculated at a standard temperature and pressure. We derived these parameters for each studied composition and the corresponding thermodynamic model shows good agreement with the CO2 solubility data of the experiments. A general alkali basalt solubility model was also constructed by establishing a relationship between magma composition and the thermodynamic parameters. We utilize cation fractions from our six compositions along with four compositions from the experimental literature in a linear regression to generate this compositional relationship. Our revised general model provides a new framework to interpret volcanic data, yielding greater depths for melt inclusion entrapment than previously calculated using other models, and it can be applied to mafic magma compositions for which no experimental data is available.

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

NASA Astrophysics Data System (ADS)

Lan, Yaqi

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

Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water.

PubMed

Reschke, Thomas; Zherikova, Kseniya V; Verevkin, Sergey P; Held, Christoph

2016-03-01

Benzoic acid is a model compound for drug substances in pharmaceutical research. Process design requires information about thermodynamic phase behavior of benzoic acid and its mixtures with water and organic solvents. This work addresses phase equilibria that determine stability and solubility. In this work, Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) was used to model the phase behavior of aqueous and organic solutions containing benzoic acid and chlorobenzoic acids. Absolute vapor pressures of benzoic acid and 2-, 3-, and 4-chlorobenzoic acid from literature and from our own measurements were used to determine pure-component PC-SAFT parameters. Two binary interaction parameters between water and/or benzoic acid were used to model vapor-liquid and liquid-liquid equilibria of water and/or benzoic acid between 280 and 413 K. The PC-SAFT parameters and 1 binary interaction parameter were used to model aqueous solubility of the chlorobenzoic acids. Additionally, solubility of benzoic acid in organic solvents was predicted without using binary parameters. All results showed that pure-component parameters for benzoic acid and for the chlorobenzoic acids allowed for satisfying modeling phase equilibria. The modeling approach established in this work is a further step to screen solubility and to predict the whole phase region of mixtures containing pharmaceuticals. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Clinical and Biological Predictors of Plasma Levels of Soluble RAGE in Critically Ill Patients: Secondary Analysis of a Prospective Multicenter Observational Study.

PubMed

Pranal, Thibaut; Pereira, Bruno; Berthelin, Pauline; Roszyk, Laurence; Godet, Thomas; Chabanne, Russell; Eisenmann, Nathanael; Lautrette, Alexandre; Belville, Corinne; Blondonnet, Raiko; Cayot, Sophie; Gillart, Thierry; Skrzypczak, Yvan; Souweine, Bertrand; Bouvier, Damien; Blanchon, Loic; Sapin, Vincent; Constantin, Jean-Michel; Jabaudon, Matthieu

2018-01-01

Although soluble forms of the receptor for advanced glycation end products (RAGE) have been recently proposed as biomarkers in multiple acute or chronic diseases, few studies evaluated the influence of usual clinical and biological parameters, or of patient characteristics and comorbidities, on circulating levels of soluble RAGE in the intensive care unit (ICU) setting. To determine, among clinical and biological parameters that are usually recorded upon ICU admission, which variables, if any, could be associated with plasma levels of soluble RAGE. Data for this ancillary study were prospectively obtained from adult patients with at least one ARDS risk factor upon ICU admission enrolled in a large multicenter observational study. At ICU admission, plasma levels of total soluble RAGE (sRAGE) and endogenous secretory (es)RAGE were measured by duplicate ELISA and baseline patient characteristics, comorbidities, and usual clinical and biological indices were recorded. After univariate analyses, significant variables were used in multivariate, multidimensional analyses. 294 patients were included in this ancillary study, among whom 62% were admitted for medical reasons, including septic shock (11%), coma (11%), and pneumonia (6%). Although some variables were associated with plasma levels of RAGE soluble forms in univariate analysis, multidimensional analyses showed no significant association between admission parameters and baseline plasma sRAGE or esRAGE. We found no obvious association between circulating levels of soluble RAGE and clinical and biological indices that are usually recorded upon ICU admission. This trial is registered with NCT02070536.

Evaluation of polymerization-dependent changes in color and translucency of resin composites using two formulae.

PubMed

Paravina, Rade D; Kimura, Mikio; Powers, John M

2005-09-01

The aim of this study was to evaluate polymerization-dependent changes in the color and translucency parameter (TP) of resin composites and to compare results obtained using two color-difference metric formulae, CIELAB and CIEDE 2000. Twenty-eight shades of commercial resin composites were analyzed. Specimens (n = 5) were made as discs, 11 mm in diameter and 2-mm thick, using cylindrical molds. Data were collected before and after composite polymerization, using a spectrophotometer. In regard to in vitro color changes of composites (DeltaE*) a DeltaE76 of 3.7 or greater was considered to be an unacceptable color change. Data were analyzed by analysis of variance, and Fisher's protected least significant difference (PLSD) intervals for comparison of means were calculated at the 0.05 level of significance. Mean polymerization-dependent differences in color were DeltaE00 = 4.48 (2.11) and DeltaE76 = 5.51 (2.68). The DeltaTP00 range was 2.57, while the DeltaTP76 range was 2.89. Mean polymerization-dependent differences in translucency were DeltaTP00 = 0.84 (0.77) and DeltaTP76 = 0.87 (0.76). Analysis of variance showed significant differences among composites, shades, and their interactions (P < 0.0001; power = 1.0). Regression equations and r values for the two color-difference formulae and all evaluated TP values showed very strong correlation. In conclusion, within the limitations of this study, polymerization-dependent changes in color and translucency were highly varied. The majority of shades showed polymerization-dependent differences in color higher than the DeltaE76 = 3.7. The TP generally increased after light polymerization by light activation. The very strong correlation (r > 0.97) between the two color-difference formulae indicates that the limitations of the CIELAB system do not appear to be a problem when evaluating composites; however, recorded differences between DeltaE76 and DeltaE00 values stress the importance of data conversion.

Developing a Truly Global Delta Database to Assess Delta Morphology and Morphodynamics

NASA Astrophysics Data System (ADS)

Caldwell, R. L.; Edmonds, D. A.; Baumgardner, S. E.; Whaling, A.

2015-12-01

Delta morphology reflects the interplay of various environmental parameters, though these relationships have only been tested on small datasets with 30-50 deltas. These datasets are biased toward the largest deltas, which typically have compound morphologies, form on passive margins, and may not be representative of the full breadth in delta morphology. With the goal of building more robust predictions of delta morphology to enhance hazard mitigation and resiliency planning, we have developed a truly global delta database including every delta on the world's marine coastlines. Using Google Earth imagery, we first identified all fluvial river mouths (≥ 50 m wide) connected to an upstream catchment. Deltas are defined geomorphically as river mouths that split into two or more active or relict distributary channels, end in a depositional protrusion from the shoreline, or do both. In our database we identified 5,801 river mouths, and 1,426 of those coastal rivers (~25%) have a geomorphic delta. ~75% of deltas exhibit an active or relict distributary network, while the remaining ~25% are single channel deltas with a basinward protrusion. Preliminary morphometric analysis (ratio of shore-parallel width, W, to shore-perpendicular length, L) on a subset of 159 deltas suggests W:L values range from 0.52 (elongate) to 23.6 (broad/cuspate). The median W:L value is 2.68, suggesting the majority of deltas are roughly semi-circular (W:L = 2), and the distribution is heavily skewed to the broad/cuspate deltas (~28% are >4 times wider than they are long). Preliminary comparison to downstream significant wave height data shows that the 'wider' deltas relate to higher wave heights (R2 = 0.42), though the data are scattered. Ultimately, the database will include additional measured morphometrics, including number of channel mouths and delta area, and morphodynamic data derived from serial Landsat imagery.

[Hydrogen and oxygen isotopes of lake water and geothermal spring water in arid area of south Tibet].

PubMed

Xiao, Ke; Shen, Li-Cheng; Wang, Peng

2014-08-01

The condition of water cycles in Tibet Plateau is a complex process, and the hydrogen and oxygen isotopes contain important information of this process. Based on the analysis of isotopic composition of freshwater lake, saltwater lake and geothermal water in the southern Tibetan Plateau, this study investigated water cycling, composition and variation of hydrogen and oxygen isotopes and the influencing factors in the study area. The study found that the mean values of delta18O and deltaD in Daggyaima lake water (-17.0 per thousand for delta18O and -138. 6 per thousand for deltaD), Langcuo lake water (-6.4 per thousand for delta18O and -87.4 per thousand for deltaD) and Dagejia geothermal water (-19.2 per thousand for delta18 and -158.2 per thousand for deltaD) all showed negative delta18O and deltaD values in Tibetan Plateau by the influence of altitude effects. Lake water and geothermal water were influenced by evaporation effects in inland arid area, and the slope of evaporation line was less than 8. Deuterium excess parameters of lake water and geothermal water were all negative. The temperature of geothermal reservoirs in Dagejia geothermal field was high,and oxygen shift existed in the relationship of hydrogen and oxygen isotopes.

The VCS parameters: Potential hematological indicators for predicting antituberculosis drug-induced neutropenia.

PubMed

Shen, Tian; Gu, Delin; Zhu, Yihua; Shi, Junwei; Xu, Dongsheng; Cao, Xingjian

2016-08-01

The morphological changes in activated neutrophils associated with antituberculosis drugs can be measured by volume, conductivity, and scatter (VCS) technology on the Coulter LH750 hematology analyzer. We conducted the current study to further validate the clinical usefulness of the neutrophil VCS parameters in predicting drug-induced neutropenia. Peripheral blood samples were collected from 52 patients with drug-induced neutropenia, 309 patients without any abnormal CBC, and 237 healthy controls. The mean neutrophil volume (MNV) with its distribution width (NDW) and the mean neutrophil scatter (MNS) were studied. We observed a significant increase in the MNV and NDW as well as a significant decrease in the MNS in neutropenia patients approximately one week prior to development of neutropenia compared to healthy controls as well as to case controls. In addition, the delta MNV and delta MNS were respectively correlated well with delta absolute neutrophil counts when neutropenia occurred. The ROC curve analyses showed that the MNV、NDW and MNS had larger areas under curves compared to conventional parameters. With a cutoff of 150.15 for the MNV, a sensitivity of 84.4% and specificity of 75.7% were achieved prior to neutropenia. The neutrophil VCS parameters may be clinically useful as potential hematological indicators for predicting antituberculosis drug-induced neutropenia. Copyright © 2016 Elsevier B.V. All rights reserved.

Structure modification and functionality of whey proteins: quantitative structure-activity relationship approach.

PubMed

Nakai, S; Li-Chan, E

1985-10-01

According to the original idea of quantitative structure-activity relationship, electric, hydrophobic, and structural parameters should be taken into consideration for elucidating functionality. Changes in these parameters are reflected in the property of protein solubility upon modification of whey proteins by heating. Although solubility is itself a functional property, it has been utilized to explain other functionalities of proteins. However, better correlations were obtained when hydrophobic parameters of the proteins were used in conjunction with solubility. Various treatments reported in the literature were applied to whey protein concentrate in an attempt to obtain whipping and gelling properties similar to those of egg white. Mapping simplex optimization was used to search for the best results. Improvement in whipping properties by pepsin hydrolysis may have been due to higher protein solubility, and good gelling properties resulting from polyphosphate treatment may have been due to an increase in exposable hydrophobicity. However, the results of angel food cake making were still unsatisfactory.

How reproducible is cutaneous electrogastrography? An in-depth evidence-based study.

PubMed

Jonderko, K; Kasicka-Jonderko, A; Krusiec-Swidergoł, B; Dzielicki, M; Strój, L; Doliński, M; Doliński, K; Błońska-Fajfrowska, B

2005-12-01

To check on reproducibility of parameters of the cutaneous electrogastrogram registered at a close or a distant time span. Twenty-two volunteers recruited by an advertisement (11 females and 11 males, median age 25 years, range: 18-35) underwent three surface electrogastrography examinations of which two were taken on consecutive days and the third one was accomplished at least 2 weeks before or after the two other sessions. The examination involved a 30-min fasted recording, followed by a 90-min postprandial registration after intake of a 394-kcal mixed solid-liquid test meal. Parameters of the electrogastrogram pertaining to the frequency of the gastric slow waves exhibited good to moderate reproducibility, whereas fair reproducibility characterized parameters expected to describe the power of gastric slow waves. With the exception of the difference fed minus fasted power (DeltaDP), in no instance was the medium term reproducibility any worse than the short term one. Categorical data analysis revealed that the relative time share of normogastria postprandially exhibited a better reproducibility than in the fasted period. The Cohen's kappa-value of 0.459 for the DeltaDP for the medium term reproducibility placed this parameter within the range of moderate agreement between repeat examinations. Of the two two-parameter combinations considered, the alliance of the fasted and fed normogastria performed worse than any of those parameters considered alone, whereas a combination of the DeltaDP with the fed-state normogastria revealed a kappa-value amounting to 0.510 for the medium term reproducibility. The feasibility of some electrogastrographic parameters to convey clinically useful information may be hampered by their fair reproducibility. Recoding of parameters of the cutaneous electrogastrogram from primary continuous to secondary categorical may help achieve a better agreement between repeat examinations.

Quaternary and quinary modifications of eutectic superalloys strengthened by delta Ni3Cb lamellae and gamma prime Ni3Al precipitates

NASA Technical Reports Server (NTRS)

Lemkey, F. D.; Mccarthy, G. P.

1975-01-01

By means of a compositional and heat treatment optimization program based on the quaternary gamma/gamma prime-delta, a tantalum modified gamma/gamma prime-delta alloy with improved shear and creep strength combined with better cyclic oxidation resistance was identified. Quinary additions, quaternary adjustments, and heat treatment were investigated. The tantalum modified gamma/gamma prime-delta alloy possessed a slightly higher liquidus temperature and exhibited rupture strength exceeding NASA VIA by approximately three and one-half Larson-Miller parameters (C = 20) above 1000 C. Although improvements in longitudinal mechanical properties were achieved, the shear and transverse strength property goals of the program were not met and present a continuing challenge to the alloy metallurgist.

Kinetics and mechanism of degradation of some 2-sulfanilamidopyrimidine derivatives. Part VI. The use of Hammett equation for kinetic investigation of 2-sulfanilamidopyrimidine derivatives hydrolysis.

PubMed

Zajac, M

1977-01-01

General, k, and specific, k1 and k2, first-order rate constants for the parallel reaction of hydrolysis catalized by H+ ions were estimated for sulfadiazine (I), sulfamerazine (II), sulfadimidine (III), sulfaperine (IV) and sulfamethoxydiazine (V), hydrolyzed in 1 mole/dm3 HCl at 333, 343, 355 and 363 K. General first-order rate constants for the spontaneous hydrolysis of I--V in borate buffer pH 9.20 at 403, 411 and 418 K were also determined. Thermodynamic parameters of the reaction (delta Ha, deltaH not equal to, deltaS not equal to, deltaG not equal to and log A) were calculated. The effect of substituents in positions 4, 5 and 6 of the pyrimidine ring on the rate of hydrolysis was interpreted in terms of Hammett equation.

Monte Carlo Analysis of the Commissioning Phase Maneuvers of the Soil Moisture Active Passive (SMAP) Mission

NASA Technical Reports Server (NTRS)

Williams, Jessica L.; Bhat, Ramachandra S.; You, Tung-Han

2012-01-01

The Soil Moisture Active Passive (SMAP) mission will perform soil moisture content and freeze/thaw state observations from a low-Earth orbit. The observatory is scheduled to launch in October 2014 and will perform observations from a near-polar, frozen, and sun-synchronous Science Orbit for a 3-year data collection mission. At launch, the observatory is delivered to an Injection Orbit that is biased below the Science Orbit; the spacecraft will maneuver to the Science Orbit during the mission Commissioning Phase. The delta V needed to maneuver from the Injection Orbit to the Science Orbit is computed statistically via a Monte Carlo simulation; the 99th percentile delta V (delta V99) is carried as a line item in the mission delta V budget. This paper details the simulation and analysis performed to compute this figure and the delta V99 computed per current mission parameters.

A new perturbative approach to nonlinear partial differential equations

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

Bender, C.M.; Boettcher, S.; Milton, K.A.

1991-11-01

This paper shows how to solve some nonlinear wave equations as perturbation expansions in powers of a parameter that expresses the degree of nonlinearity. For the case of the Burgers equation {ital u}{sub {ital t}}+{ital uu}{sub {ital x}}={ital u}{sub {ital xx}}, the general nonlinear equation {ital u}{sub {ital t}}+{ital u}{sup {delta}}{ital u}{sub {ital x}}={ital u}{sub {ital xx}} is considered and expanded in powers of {delta}. The coefficients of the {delta} series to sixth order in powers of {delta} is determined and Pade summation is used to evaluate the perturbation series for large values of {delta}. The numerical results are accuratemore » and the method is very general; it applies to other well-studied partial differential equations such as the Korteweg--de Vries equation, {ital u}{sub {ital t}}+{ital uu}{sub {ital x}} ={ital u}{sub {ital xxx}}.« less

Study of linear optical parameters of sodium sulphide nano-particles added ADP crystals

NASA Astrophysics Data System (ADS)

Kochuparampil, A. P.; Joshi, J. H.; Dixit, K. P.; Jethva, H. O.; Joshi, M. J.

2017-05-01

Ammonium Dihydrogen Phosphate (ADP) is one of the nonlinear optical crystals. It is having various applications like optical mixing, electro-optical modulator, harmonic generators, etc. Chalcogenide compounds are poorly soluble in water and difficult to add in the water soluble ADP crystals. The solubility of Chalcogenide compounds can be increased by synthesizing the nano-structured samples with suitable capping agent. In the present study sodium sulphide was added in to ADP to modify its linear optical parameters. Sodium sulphide nano particles were synthesized by co-precipitation technique using Ethylene diamine as capping agent followed by microwave irradiation. The powder XRD confirmed the nano-structured nature of sodium sulphide nano particles. The solubility of nanoparticles of sodium sulphide increased significantly in water compared to the bulk. Pure and Na2S added ADP crystals were grown by slow solvent evaporation method at room temperature. The presence of sodium in ADP was confirmed by AAS. The UV-Vis spectra were recorded for all crystals. Various optical parameters like, transmittance, energy band gap, extinction coefficient, refractive index, optical conductivity, etc. were evaluated. The electronic polarizibility of pure and doped crystals calculated from energy band gap. The effect of doping concentration was found on various parameters.

Analysis of slow-wave activity and slow-wave oscillations prior to somnambulism.

PubMed

Jaar, Olivier; Pilon, Mathieu; Carrier, Julie; Montplaisir, Jacques; Zadra, Antonio

2010-11-01

STUDY OBJECTIVIES: several studies have investigated slow wave sleep EEG parameters, including slow-wave activity (SWA) in relation to somnambulism, but results have been both inconsistent and contradictory. The first goal of the present study was to conduct a quantitative analysis of sleepwalkers' sleep EEG by studying fluctuations in spectral power for delta (1-4 Hz) and slow delta (0.5-1 Hz) before the onset of somnambulistic episodes. A secondary aim was to detect slow-wave oscillations to examine changes in their amplitude and density prior to behavioral episodes. twenty-two adult sleepwalkers were investigated polysomnographically following 25 h of sleep deprivation. analysis of patients' sleep EEG over the 200 sec prior to the episodes' onset revealed that the episodes were not preceded by a gradual increase in spectral power for either delta or slow delta over frontal, central, or parietal leads. However, time course comparisons revealed significant changes in the density of slow-wave oscillations as well as in very slow oscillations with significant increases occurring during the final 20 sec immediately preceding episode onset. the specificity of these sleep EEG parameters for the occurrence and diagnosis of NREM parasomnias remains to be determined.

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

PubMed

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

2015-01-27

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

Studying Air Quality Dynamics using A Linear Genetic Programming Approach over Remotely Sensed Atmospheric Parameters: case study (Cairo, Egypt)

NASA Astrophysics Data System (ADS)

El-Askary, H. M.; Sheta, W.; Prasad, A. K.; Ali, H.; Abdel rahman, M.; El-Desouki, A.; Kafatos, M.

2011-12-01

For the past nine years starting from 2000, Cairo and the Delta region have been going through seriously high air pollution episodes that take place from October till November, locally known as the "Black Cloud". These temperature inversion episodes are attributed to Cairo's topography, complex climate systems, in addition to its economic growth and industrial activity and the long range transport from Europe. Carbon monoxide, ozone, methane, and water vapor are four major parameters that give an indication to the levels of pollution due to their interactions in the atmosphere. Carbon monoxide is especially an excellent tracer for pollution sources and pathways in the troposphere. The Nile Delta is known to be the most populous region of Egypt with major agricultural and industrial activities. The region suffers from intense episodes of natural and anthropogenic pollution especially during Spring (MAM), Summer (JJA), Fall (SON), and Winter (DJF) seasons. Previous studies found that the summer season shows long range transport of pollutants from Europe which is widely accepted. Recent studies attribute the local biomass burning in open fields to be the major culprit behind increased levels of pollution over major cities of the Delta region (such as Cairo) especially during the Fall season. Such episodes result in dense fog and haze which is locally known as "Black Cloud". We have analyzed multiple satellite datasets such as MODIS higher resolution daily aerosol parameters, vertical profiles from AIRS (meteorological and other parameters), HYSPLIT and GOCART models, and ground collected data (AOD, PM10, SO2 and NO2) to study the cause of Fall-time pollution over the Delta region. In this research we analysed aerosol, water vapor and cloud properties, over Cairo and the Greater Delta region starting from March 1st 2000 till May 31st 2010. The parameters involved in this analysis include nine parameters noted as P0 to P8 namely: Angstrom Exponent Land Mean, Atmospheric Water Vapor Low Mean, Atmospheric Water Vapor Mean, Mass Concentration Land Mean, Optical Depth Ratio Small Land and Ocean Mean, Small Mode Optical Depth Land and Ocean Mean, Cloud Top Pressure Day Mean, Cloud Top Pressure Mean, Cloud Top Temperature Mean. The suggested linear Genetic approach detected hidden anomalies and relationships that cannot be observed from the conventional statistical methods. A well-established model as an important contribution to show the relationships between particle size and the physical and chemical aerosols properties has been designed. Such coupling will provide insight into the micro physics of the phenomenon. The proposed research will reveal previously uncharacterized yet fundamental relations and dependencies among aerosols, cloud and meteorological related parameters. Moreover, it would aid in filling gaps of missing satellite parameters using other available ones.

Elucidation of the naproxen sodium adsorption onto activated carbon prepared from waste apricot: kinetic, equilibrium and thermodynamic characterization.

PubMed

Onal, Y; Akmil-Başar, C; Sarici-Ozdemir, C

2007-09-30

In this study, activated carbon (WA11Zn5) was prepared from waste apricot, which is waste in apricot plants in Malatya, by chemical activation with ZnCl(2). BET surface area of activated carbon is determined as 1060 m(2)/g. The ability of WA11Zn5, to remove naproxen sodium from effluent solutions by adsorption has been studied. Equilibrium isotherms for the adsorption of naproxen sodium on activated carbon were measured experimentally. Results were analyzed by the Langmiur, Freundlich equation using linearized correlation coefficient at 298 K. The characteristic parameters for each isotherm have been determined. Langmiur equation is found to best represent the equilibrium data for naproxen sodium-WA11Zn5 systems. The monolayer adsorption capacity of WA11Zn5 for naproxen sodium was found to be 106.38 mg/g at 298 K. The process was favorable and spontaneous. The kinetics of adsorption of naproxen sodium have been discussed using three kinetic models, i.e., the pseudo first-order model, the pseudo second-order model, the intraparticle diffusion model. Kinetic parameters and correlation coefficients were determined. It was shown that the pseudo second-order kinetic equation could describe the adsorption kinetics for naproxen sodium onto WA11Zn5. The thermodynamic parameters, such as DeltaG degrees , DeltaS degrees and DeltaH degrees, were calculated. The thermodynamics of naproxen sodium-WA11Zn5 system indicates endothermic process.

Investigating Arsenic Mobilization Mechanisms as well as Complexation Between Arsenic and Polysulfides Associated With a Bangladeshi Rice Paddy

NASA Astrophysics Data System (ADS)

Lin, T.; Kampalath, R.; Jay, J.

2009-12-01

The presence of arsenic in the groundwater has led to the largest environmental poisoning in history. Although it is a worldwide issue that affects numerous countries, including Taiwan, Bangladesh, India, China, Mexico, Peru, Australia, and the United States, the issue is of greatest concern in the West Bengal region. In the Ganges Delta, as many as 2 million people are diagnosed with arsenicosis each year. The World Health Organization (WHO) estimates 200,000 to 270,000 arsenic-induced cancer-related deaths in Bangladesh alone. More than 100 million people in the country consume groundwater that exceeds the WHO limit as 50% of the 8 million wells contain groundwater with more than 10 μg/L. Despite the tragic public health implications of this problem, we do not yet have a complete answer to the question of why dissolved arsenic concentrations are so high in the groundwater of the Ganges Delta. Since 1999, we have been intensively studying a field site in Munshiganj, Bangladesh with extremely high levels of arsenic in groundwater (up to 1.2 mg/L). Sediment cores were collected from two locations at the field site: 1) the rice paddy and 2) edge of a nearby irrigation pond. Recharge from irrigation ponds have recently been hypothesized to be an important site of arsenic mobilization. Recent work has proposed mineral dissolution under phosphorus-limited conditions as an important mechanism for arsenic mobilization. Using microcosms with paddy and pond sediment, we are comparing arsenic release via this mechanism with that resulting from reduction of iron hydroxides at our site. Concurrently, we are looking at enhanced solubility of As in the presence of polysulfides as the effects of elemental sulfur on As solubility have not been well researched. We hypothesize that the presence of elemental sulfur, and consequent formation of polysulfides, will substantially increase the solubility of orpiment in sulfidic water and that sorption of these complexes will significantly affect the mobility of these species of As in groundwater. We have shown substantial (order of magnitude) increases in metal solubility in bottle in the presence of elemental sulfur and sulfide compared to bottles in the presence of the same concentration of sulfide alone. This is presumably attributable to metal-polysulfide complexation. Further experiments measuring solubility over a range of pH and sulfide levels are necessary to model the data and determine complexation constants. By elucidating As mobilization mechanisms at an experimental rice paddy, this work could ultimately lead to solutions that minimize As exposure in critical populations.

[Chemical forms and ecological effect of soil Mn in liver cancer's high incidence area in Zhu-jiang River Delta, China].

PubMed

Dou, Lei; Zhou, Yong-Zhang; Li, Yong; Ma, Jin; An, Yan-Fei; Du, Hai-Yan; Li, Zhan-Qiang

2008-06-01

The samples of surface soil, deep soil, and vegetables were collected from the liver cancer's high- and low incidence areas in Zhujiang River Delta to study the relationships between soil Mn forms and vegetables' Mn enrichment. The results showed that the soil Mn in study area was mainly derived from parent materials, and rarely come from human activities. The average soil Mn content in liver cancer's high incidence area was 577.65 mg x kg(-1), being significantly lower than that of liver cancer's low incidence area (718.04 mg x kg(-1)) and whole country (710 mg x kg(-1)). The Mn forms in high incidence area were mainly of residual Mn and Fe-Mn oxide, and less of water soluble Mn and exchangeable Mn, with the sum of the latter two's distribution coefficients being not higher than 4%. In low incidence area, the distribution pattern of soil Mn forms was similar to that in high incidence area, but the absolute contents of the Mn forms were significantly higher. Soil total Mn and soil pH had significant effects on soil Mn forms. There existed significant positive correlations between soil total Mn and the Mn forms of Fe-Mn bound, humic acid bound, carbonate bound, and residual, and negative correlations between soil pH and soil water soluble and organic bound Mn forms. Among the test five kinds of vegetables, Youmai lettuce and Chinese cabbage in liver cancer' s high incidence area had a significantly lower Mn content than in low incidence area, while the other three had less difference. The Mn enrichment in test vegetables was positively correlated with to the content of soil available Mn (sum of water soluble Mn and exchangeable Mn), but had no correlations with the contents of soil total Mn and other Mn forms.

Aerodynamic Interaction between Delta Wing and Hemisphere-Cylinder in Supersonic Flow

NASA Astrophysics Data System (ADS)

Nishino, Atsuhiro; Ishikawa, Takahumi; Nakamura, Yoshiaki

As future space vehicles, Reusable Launch Vehicle (RLV) needs to be developed, where there are two kinds of RLV: Single Stage To Orbit (SSTO) and Two Stage To Orbit (TSTO). In the latter case, the shock/shock interaction and shock/boundary layer interaction play a key role. In the present study, we focus on the supersonic flow field with aerodynamic interaction between a delta wing and a hemisphere-cylinder, which imitate a TSTO, where the clearance, h, between the delta wing and hemisphere-cylinder is a key parameter. As a result, complicated flow patterns were made clear, including separation bubbles.

The Effect of anti-TNFα Induction Therapy on the Nutritional Status and Dietary Intake in Inflammatory Bowel Disease.

PubMed

Csontos, Ágnes Anna; Molnár, Andrea; Piri, Zsolt; Katona, Balázs; Dakó, Sarolta; Pálfi, Erzsébet; Miheller, Pál

2016-03-01

Patients suffering from inflammatory bowel disease (IBD) are at a high risk of malnutrition and retain an altered body composition. We hypothesized that anti-tumor necrosis factor (anti-TNF) alpha therapy may improve dietary intake and have a beneficial influence on body composition in these patients. Our study involved 40 IBD outpatients (33 Crohn's disease, 7 ulcerative colitis); 24 of these received adalimumab (160/80/40EOW) and 16 were treated with infliximab (5 mg/kg at week 0, 2, 6, and subsequently every 8 weeks). Body composition was measured with bioelectrical impedance analysis, while dietary intake was recorded prior to initiating biologicals and 3 months afterwards. Body composition indexes: fat-free mass index [FFMI], body fat mass index [BFMI]) were calculated in kg/m2. Baseline BMI (kg/m2) and muscle parameters increased significantly at the end of the observational period (BMI: 23.81+/-7.19 vs. 24.52+/-7.34, p<0.001; FFMI: 17.64+/-3.00 vs. 18.14+/-3.08, p<0.001; at week 0 vs. 12, respectively). However, no significant changes were detected in the fat parameters (BFMI: 6.21+/-5.20 vs. 6.44+/-5.27, respectively). We found no significant difference between the effects of adalimumab vs. infliximab on body composition (deltaFFMI: 0.55+/-0.82 vs. 0.43+/-0.69; deltaBFMI: 0.23+/-0.85 vs. 0.21+/-1.01, respectively). No significant difference was observed in the extent of changes in parameters whether the patients were on corticosteroids (n=15) or not (n=25) at week 0 (deltaFFMI: 0.44+/-0.84 vs 0.59+/-0.72; deltaBFMI: 0.36+/-1.12 vs. 0.09+/-0.71, respectively). Our findings suggest that muscle parameters improved during the anti-TNF induction therapy, while fat parameters did not change significantly. Thus, induction anti-TNF therapy might have a beneficial effect on body composition.

Supercritical Fluid Chromatography with Photodiode Array Detection in the Determination of Fat-Soluble Vitamins in Hemp Seed Oil and Waste Fish Oil.

PubMed

Tyśkiewicz, Katarzyna; Gieysztor, Roman; Maziarczyk, Izabela; Hodurek, Paweł; Rój, Edward; Skalicka-Woźniak, Krystyna

2018-05-10

In the presented study for the first time a new, optimized, fast SFC (supercritical fluid chromatography) method was applied to separate in one run fat-soluble vitamins from waste fish oil, including cis -and tran s-retinyl palmitate, cis - and trans -retinyl acetate, retinol, α-tocopherol, β-tocopherol, γ‑tocopherol, δ-tocopherol, ergocalciferol (D₂), cholecalciferol (D₃), cis - and trans -phylloquinone (K₁) and menaquinone-4 (K₂-MK4). Vitamins were baseline separated on an Acquity UPC² (ultra performance convergence chromatography) HSS C18 SB (highly strength chemically modified silica) column within 13 min. The influence of the stationary phase, such as Torus 1-AA (1-aminoanthracene), Torus Diol (high density diol), Torus DEA (diethylamine), BEH (silica with no bonding), BEH-2EP (2-ethylpirydine), CSH Fluoro-Phenyl (silica with fluoro-phenyl groups), column temperature, flow rate and back pressure on the separation of the compounds was described. The application of the modified saponification procedure allowed us to increase concentration in the sample prepared for the analysis of γ‑tocopherol from less than 1% (wt %) to 14% for the first time. In addition, α‑tocopherol, γ‑tocopherol, δ‑tocopherol and retinol were identified in waste fish oil. Vitamin purification and analysis in waste fish oil are reported for the first time here. Due to the short time and effectiveness of the proposed method, it can be easily applied in industrial processes.

Clinical and Biological Predictors of Plasma Levels of Soluble RAGE in Critically Ill Patients: Secondary Analysis of a Prospective Multicenter Observational Study

PubMed Central

Pranal, Thibaut; Pereira, Bruno; Berthelin, Pauline; Roszyk, Laurence; Chabanne, Russell; Eisenmann, Nathanael; Lautrette, Alexandre; Belville, Corinne; Blondonnet, Raiko; Gillart, Thierry; Skrzypczak, Yvan; Souweine, Bertrand; Bouvier, Damien; Constantin, Jean-Michel

2018-01-01

Rationale Although soluble forms of the receptor for advanced glycation end products (RAGE) have been recently proposed as biomarkers in multiple acute or chronic diseases, few studies evaluated the influence of usual clinical and biological parameters, or of patient characteristics and comorbidities, on circulating levels of soluble RAGE in the intensive care unit (ICU) setting. Objectives To determine, among clinical and biological parameters that are usually recorded upon ICU admission, which variables, if any, could be associated with plasma levels of soluble RAGE. Methods Data for this ancillary study were prospectively obtained from adult patients with at least one ARDS risk factor upon ICU admission enrolled in a large multicenter observational study. At ICU admission, plasma levels of total soluble RAGE (sRAGE) and endogenous secretory (es)RAGE were measured by duplicate ELISA and baseline patient characteristics, comorbidities, and usual clinical and biological indices were recorded. After univariate analyses, significant variables were used in multivariate, multidimensional analyses. Measurements and Main Results 294 patients were included in this ancillary study, among whom 62% were admitted for medical reasons, including septic shock (11%), coma (11%), and pneumonia (6%). Although some variables were associated with plasma levels of RAGE soluble forms in univariate analysis, multidimensional analyses showed no significant association between admission parameters and baseline plasma sRAGE or esRAGE. Conclusions We found no obvious association between circulating levels of soluble RAGE and clinical and biological indices that are usually recorded upon ICU admission. This trial is registered with NCT02070536. PMID:29861796

Can Computational Sediment Transport Models Reproduce the Observed Variability of Channel Networks in Modern Deltas?

NASA Astrophysics Data System (ADS)

Nesvold, E.; Mukerji, T.

2017-12-01

River deltas display complex channel networks that can be characterized through the framework of graph theory, as shown by Tejedor et al. (2015). Deltaic patterns may also be useful in a Bayesian approach to uncertainty quantification of the subsurface, but this requires a prior distribution of the networks of ancient deltas. By considering subaerial deltas, one can at least obtain a snapshot in time of the channel network spectrum across deltas. In this study, the directed graph structure is semi-automatically extracted from satellite imagery using techniques from statistical processing and machine learning. Once the network is labeled with vertices and edges, spatial trends and width and sinuosity distributions can also be found easily. Since imagery is inherently 2D, computational sediment transport models can serve as a link between 2D network structure and 3D depositional elements; the numerous empirical rules and parameters built into such models makes it necessary to validate the output with field data. For this purpose we have used a set of 110 modern deltas, with average water discharge ranging from 10 - 200,000 m3/s, as a benchmark for natural variability. Both graph theoretic and more general distributions are established. A key question is whether it is possible to reproduce this deltaic network spectrum with computational models. Delft3D was used to solve the shallow water equations coupled with sediment transport. The experimental setup was relatively simple; incoming channelized flow onto a tilted plane, with varying wave and tidal energy, sediment types and grain size distributions, river discharge and a few other input parameters. Each realization was run until a delta had fully developed: between 50 and 500 years (with a morphology acceleration factor). It is shown that input parameters should not be sampled independently from the natural ranges, since this may result in deltaic output that falls well outside the natural spectrum. Since we are interested in studying the patterns occurring in nature, ideas are proposed for how to sample computer realizations that match this distribution. By establishing a link between surface based patterns from the field with the associated subsurface structure from physics-based models, this is a step towards a fully Bayesian workflow in subsurface simulation.

Efficacy of hydrogen-peroxide-based mouthwash in altering enamel color.

PubMed

Jaime, Ivone Maria de Lima; França, Fabiana Mantovani Gomes; Basting, Roberta Tarkany; Turssi, Cecilia Pedroso; Amaral, Flávia Lucisano Botelho

2014-02-01

To analyze the efficacy of Colgate Plax Whitening mouthwash containing 1.5% hydrogen peroxide. 30 enamel fragments, obtained from the proximal surfaces of human third molars were darkened with Orange II methyl orange. The fragments were divided into three groups according to the type of bleaching agent applied (n = 10): (1) 10% carbamide peroxide gel (positive control, PC) was applied for 2 hours/day for 28 days; (2) a solution containing 1.5% hydrogen peroxide (Plax) was applied for 4 minutes once a day for 28 days, and (3) no bleaching agent, kept in artificial saliva (negative control, AS). The specimens were kept in artificial saliva between treatment intervals. The specimens were photographed before darkening (baseline), after darkening and before lightening and on the 28th day of whitening. Afterwards, they were analyzed with color measurement software using the CIELab system. The data for the L*, a* and b* parameters were submitted to two-way ANOVA with repeated measures. The values of deltaL *, deltaa *, deltab * and deltaE* were calculated using two procedures: (1) darkened versus original, and (2) bleached versus darkened. This data was submitted to the one-way ANOVA test. Multiple comparisons were conducted using the Tukey test (alpha = 0.05). When the specimens were subjected to bleaching agents, there was a significant increase in the brightness (L* parameter) of the enamel exposed to the gel and also to the bleaching solution. However, higher brightness was observed for the PC (gel) group. As for the axis a* parameters, there were no significant differences between the bleaching products. Regarding the axis b* parameters, the PC group underwent major changes (indicating a color change toward blue chroma), statistically greater than those of the Plax group. After bleaching, there was a significantly greater color change (deltaE*) in the PC group. Although the Plax solution caused a color change, it was less than that produced by the gel. The slightest color change was observed in the control group, in which no bleach was used. The mouthwash containing hydrogen peroxide was able to lighten the darkened human enamel, but to a lesser degree than the lightening produced by 10% carbamide peroxide.

High-resolution Fourier transform spectroscopy of the Meinel system of OH

NASA Technical Reports Server (NTRS)

Abrams, Mark C.; Davis, Sumner P.; Rao, M. L. P.; Engleman, Rolf, Jr.; Brault, James W.

1994-01-01

The infrared spectrum of the hydroxyl radical OH, between 1850 and 9000/cm has been measured with a Fourier transform spectrometer. The source, a hydrogen-ozone diffusion flame, was designed to study the excitation of rotation-vibration levels of the OH Meinel bands under conditions similar to those in the upper atmosphere which produce the nighttime OH airglow emission. Twenty-three bands were observed: nine bands in the Delta upsilon = 1 sequence, nine bands in the Delta upsilon = 2 sequence, and five bands in the Delta upsilon = 3 sequence. A global nonlinear least-squares fit of 1696 lines yielded molecular parameters with a standard deviation of 0.003/cm. Term values are computed, and transition frequencies in the Delta upsilon = 3, 4, 5, 6 sequences in the near-infrared are predicted.

Revista de Documentacao de Estudos em Linguistica Teorica e Aplicada (DELTA): Novos Estudos em Gamatica Gerativa (Journal of Documentary Studies in Theoretical and Applied Linguistics [DELTA]: New Studies in Generative Grammar).

ERIC Educational Resources Information Center

Revista de Documentacao de Estudos em Linguistica Teorica e Aplicada, 2000

2000-01-01

This issue contains the following articles: "Resumption and Last Resort" (Joseph Aoun); "Existentials, A-Chains, and Reconstruction" (Norbert Hornstein); "How Long Was the Nineteenth Century" (David Lightfoot); "Formal Features and Parameter Setting: A View From Portuguese Past Participles and Romance Future…

Effect of Oral Beta-Hydroxy-Beta-Methylbutyrate (HMB) Supplementation on Physical Performance in Healthy Old Women Over 65 Years: An Open Label Randomized Controlled Trial.

PubMed

Berton, Linda; Bano, Giulia; Carraro, Sara; Veronese, Nicola; Pizzato, Simona; Bolzetta, Francesco; De Rui, Marina; Valmorbida, Elena; De Ronch, Irene; Perissinotto, Egle; Coin, Alessandra; Manzato, Enzo; Sergi, Giuseppe

2015-01-01

Although older people are particularly liable to sarcopenia, limited research is available on beta-hydroxy-beta-methylbutyrate (HMB) supplementation in this population, particularly in healthy subjects. In this parallel-group, randomized, controlled, open-label trial, we aimed to evaluate whether an oral supplement containing 1.5 g of calcium HMB for 8 weeks could improve physical performance and muscle strength parameters in a group of community-dwelling healthy older women. Eighty healthy women attending a twice-weekly mild fitness program were divided into two equal groups of 40, and 32 of the treated women and 33 control completed the study. We considered a change in the Short Physical Performance Battery (SPPB) score as the primary outcome and changes in the peak torque (PT) isometric and isokinetic strength of the lower limbs, 6-minute walking test (6MWT), handgrip strength and endurance as secondary outcomes. Body composition was assessed with dual-energy X-ray absorptiometry (DXA) and peripheral quantitative computerized tomography (pQCT). The mean difference between the two groups on pre-post change were finally calculated (delta) for each outcome. After 8 weeks, there were no significant differences between the groups’ SPPB, handgrip strength or DXA parameters. The group treated with HMB scored significantly better than the control group for PT isokinetic flexion (delta = 1.56±1.56 Nm; p = 0.03) and extension (delta = 3.32±2.61 Nm; p = 0.03), PT isometric strength (delta = 9.74±3.90 Nm; p = 0.02), 6MWT (delta = 7.67±8.29 m; p = 0.04), handgrip endurance (delta = 21.41±16.28 s; p = 0.02), and muscle density assessed with pQCT. No serious adverse effects were reported in either group. In conclusion, a nutritional supplement containing 1.5 g of calcium HMB for 8 weeks in healthy elderly women had no significant effects on SPPB, but did significantly improve several muscle strength and physical performance parameters. ClinicalTrials.gov NCT02118181.

Phase transitions, solubility, and crystallization kinetics of phytosterols and phytosterol-oil blends.

PubMed

Vaikousi, Hariklia; Lazaridou, Athina; Biliaderis, Costas G; Zawistowski, Jerzy

2007-03-07

The thermal properties, solubility characteristics, and crystallization kinetics of four commercial phytosterol preparations (soy and wood sterols and stanols) and their blends with corn oil were examined. Differential scanning calorimetry (DSC) revealed narrow melting peaks between 138 and 145 degrees C for all phytosterol samples, reversible on rescan. Broader and less symmetrical melting transitions at lower temperatures with increasing oil content were observed for two samples of phytosterol-oil admixtures. The estimated, from the solubility law, deltaH values (34.7 and 70.7 mJ/mg for wood sterols and stanols, respectively), were similar to the DSC experimental data. Fatty acid esters of soy stanols differing in the chain length of the acyl groups (C2-C12) exhibited suppression of the melting point and increase of the fusion enthalpy with increasing chain length of the acyl group; the propionate ester exhibited the highest melting point (Tm: 151 degrees C) among all stanol-fatty acid esters. Solubility of phytosterols in corn oil was low (2-3% w/w at 25 degrees C) and increased slightly with a temperature rise. Plant sterols appeared more soluble than stanols with higher critical concentrations at saturation. The induction time for recrystallization of sterol-oil liquid blends, as determined by spectrophotometry, depended on the supersaturation ratio. The calculated interfacial free energies between crystalline sediments and oil were smaller for sterol samples (3.80 and 3.85 mJ/m2) than stanol mixtures (5.95 and 6.07 mJ/m2), in accord with the higher solubility of the sterol crystals in corn oil. The XRD patterns and light microscopy revealed some differences in the characteristics among the native and recrystallized in oil phytosterol preparations.

Temperature and vital effect controls on Bamboo coral (Isididae) isotopegeochemistry: A test of the "lines method"

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

Hill, T M; Spero, H J; Guilderson, T P

Deep-sea bamboo corals hold promise as long-term climatic archives, yet little information exists linking bamboo coral geochemistry to measured environmental parameters. This study focuses on a suite of 10 bamboo corals collected from the Pacific and Atlantic basins (250-2136 m water depth) to investigate coral longevity, growth rates, and isotopic signatures. Calcite samples for stable isotopes and radiocarbon were collected from the base the corals, where the entire history of growth is recorded. In three of the coral specimens, samples were also taken from an upper branch for comparison. Radiocarbon and growth band width analyses indicate that the skeletal calcitemore » precipitates from ambient dissolved inorganic carbon and that the corals live for 150-300 years, with extension rates of 9-128 {micro}m/yr. A linear relationship between coral calcite {delta}{sup 18}O and {delta}{sup 13}C indicates that the isotopic composition is influenced by vital effects ({delta}{sup 18}O:{delta}{sup 13}C slope of 0.17-0.47). As with scleractinian deep-sea corals, the intercept from a linear regression of {delta}{sup 18}O versus {delta}{sup 13}C is a function of temperature, such that a reliable paleotemperature proxy can be obtained, using the 'lines method.' Although the coral calcite {delta}{sup 18}O:{delta}{sup 13}C slope is maintained throughout the coral base ontogeny, the branches and central cores of the bases exhibit {delta}{sup 18}O:{delta}{sup 13}C values that are shifted far from equilibrium. We find that a reliable intercept value can be derived from the {delta}{sup 18}O:{delta}{sup 13}C regression of multiple samples distributed throughout one specimen or from multiple samples within individual growth bands.« less

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

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Modeling CO{sub 2} and H{sub 2}S solubility in MDEA and DEA: Design implications

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

Rochelle, G.T.; Posey, M.

1996-12-31

The solubility of H{sub 2}S and CO{sub 2} in aqueous alkanolamines affects solution capacity and the required circulation rate for acid gas absorption. These thermodynamics also determine the relationship of steam rate and the lean loading of the solution which in turn sets the leak of acid gas from the top of the absorber. Finally, the mechanisms of mass transfer and the role of kinetics, especially in stripping, depend on the vapor/liquid equilibria. Published measurements of CO{sub 2} and H{sub 2}S solubility in methyldiethanolamine (MDEA) and diethanolamine (DEA) are not in general agreement, especially at low loading of acid gas.more » The available sets of solubility data have been regressed with the AspenPlus electrolyte/NRTL model. All of the parameters and constants that make up this model have been carefully evaluated. Independent thermodynamic data such as freezing point and heat of mixing have been included in the regression to strengthen the estimates of model parameters. The parameters for each set of solubility data have been evaluated in an attempt to determine which set is correct. Each evaluated model has been used to calculate the acid gas capacity and minimum stripping steam rate for several industrial cases of acid gas absorption/stripping.« less

Evaluation of solubility in simulated lung fluid of metals present in the slag from a metallurgical industry to produce metallic zinc.

PubMed

Lima, Rosilda M G; Carneiro, Luana G; Afonso, Júlio C; Cunha, Kenya M D

2013-01-01

The objective of this study was to determine the solubility parameters (rapid and slow dissolution rates, rapid and slow dissolution fractions) for nickel, cadmium, zinc and manganese compounds present in a pile of slag accumulated under exposure to weathering. This slag was generated by a metallurgical industry that produced zinc and zinc alloys from hemimorphite (Zn(4)(OH)(2)Si(2)O(7).H(2)O) and willemite (Zn(2)SiO(4)) minerals. A static dissolution test in vitro was used to determine the solubility parameters and Gamble's solution was used as the simulated lung fluid (SLF), on a time basis ranging from 10 min to 1 year. The metal concentrations in the slag samples and in the SLF were determined using Particle Induced X-rays Emission (PIXE). There are significant differences in terms of solubility parameters among the metals. The results indicated that the zinc, nickel, cadmium and manganese compounds present in the slag were moderately soluble in the SLF. The rapid dissolution fractions of these metals are associated with their sulfates. In conclusion, this study confirms the harmful effects on the neighboring population of the airborne particles containing these metals that came from the slag.

Venous-to-arterial carbon dioxide difference in the resuscitation of patients with severe sepsis and septic shock: A systematic review.

PubMed

Diaztagle Fernández, J J; Rodríguez Murcia, J C; Sprockel Díaz, J J

2017-10-01

The way to assess tissue perfusion during the resuscitation of patients with severe sepsis and septic shock is a current subject of research and debate. Venous oxygen saturation and lactate concentration have been the most frequently used criteria, though they involve known limitations. The venous-to-arterial difference of carbon dioxide (pCO 2 delta) is a parameter than can be used to indicate tissue perfusion, and its determination therefore may be useful in these patients. A qualitative systematic review of the literature was made, comprising studies that assessed pCO 2 delta in adult patients with severe sepsis or septic shock, and published between January 1966 and November 2016 in the Medline-PubMed, Embase-Elsevier, Cochrane Library, and LILACS databases. There was no language restriction. The PRISMA statement was followed, and methodological quality was evaluated. Twelve articles were included, all of an observational nature, and including 10 prospective studies (9 published since 2010). Five documented greater mortality among patients with high pCO 2 delta values, in 3 cases even when achieving venous oxygen saturation targets. In 4 studies, a high pCO 2 delta was related to lower venous oxygen saturation and higher lactate levels, and another 3 documented lesser percentage lactate reductions. The parameter pCO 2 delta has been more frequently assessed in the management of patients with severe sepsis during the last few years. The studies demonstrate its correlation to mortality and other clinical outcomes, defining pCO 2 delta as a useful tool in the management of these patients. Copyright © 2017 Elsevier España, S.L.U. y SEMICYUC. All rights reserved.

Application of global kinetic models to HMX beta-delta transition and cookoff processes.

PubMed

Wemhoff, Aaron P; Burnham, Alan K; Nichols, Albert L

2007-03-08

The reduction of the number of reactions in kinetic models for both the HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) beta-delta phase transition and thermal cookoff provides an attractive alternative to traditional multi-stage kinetic models due to reduced calibration effort requirements. In this study, we use the LLNL code ALE3D to provide calibrated kinetic parameters for a two-reaction bidirectional beta-delta HMX phase transition model based on Sandia instrumented thermal ignition (SITI) and scaled thermal explosion (STEX) temperature history curves, and a Prout-Tompkins cookoff model based on one-dimensional time to explosion (ODTX) data. Results show that the two-reaction bidirectional beta-delta transition model presented here agrees as well with STEX and SITI temperature history curves as a reversible four-reaction Arrhenius model yet requires an order of magnitude less computational effort. In addition, a single-reaction Prout-Tompkins model calibrated to ODTX data provides better agreement with ODTX data than a traditional multistep Arrhenius model and can contain up to 90% fewer chemistry-limited time steps for low-temperature ODTX simulations. Manual calibration methods for the Prout-Tompkins kinetics provide much better agreement with ODTX experimental data than parameters derived from differential scanning calorimetry (DSC) measurements at atmospheric pressure. The predicted surface temperature at explosion for STEX cookoff simulations is a weak function of the cookoff model used, and a reduction of up to 15% of chemistry-limited time steps can be achieved by neglecting the beta-delta transition for this type of simulation. Finally, the inclusion of the beta-delta transition model in the overall kinetics model can affect the predicted time to explosion by 1% for the traditional multistep Arrhenius approach, and up to 11% using a Prout-Tompkins cookoff model.

Stimulus sequence context differentially modulates inhibition-related theta and delta band activity in a go/nogo task

PubMed Central

Harper, Jeremy; Malone, Stephen M.; Bachman, Matthew D.; Bernat, Edward M.

2015-01-01

Recent work suggests that dissociable activity in theta and delta frequency bands underlies several common event-related potential (ERP) components, including the nogo N2/P3 complex, which can better index separable functional processes than traditional time-domain measures. Reports have also demonstrated that neural activity can be affected by stimulus sequence context information (i.e., the number and type of preceding stimuli). Stemming from prior work demonstrating that theta and delta index separable processes during response inhibition, the current study assessed sequence context in a Go/Nogo paradigm in which the number of go stimuli preceding each nogo was selectively manipulated. Principal component analysis (PCA) of time-frequency representations revealed differential modulation of evoked theta and delta related to sequence context, where delta increased robustly with additional preceding go stimuli, while theta did not. Findings are consistent with the view that theta indexes simpler initial salience-related processes, while delta indexes more varied and complex processes related to a variety of task parameters. PMID:26751830

Atmospheric heating of meteorites: Results from nuclear track studies

NASA Technical Reports Server (NTRS)

Jha, R.

1984-01-01

A quantitative model to estimate the degree of annealing of nuclear tracks in mineral grains subjected to a variable temperature history was proposed. This model is applied to study the track annealing records in different meteorites resulting from their atmospheric heating. Scale lengths were measured of complete and partial track annealing, delta X sub 1 and delta X sub 2, respectively. In mineral grain close to fusion crust in about a dozen meteorites. Values of delta X sub 1 and delta X sub 2 depend on extent and duration of heating during atmospheric transit and hence on meteorite entry parameters. To estimate track annealing, the temperature history during atmospheric heating at different distances from the crusted surface of the meteorite is obtained by solving heat conduction equation in conjunction with meteorite entry model, and use of the annealing model to evaluate the degree of annealing of tracks. It is shown that the measured values of delta X sub 1 and delta X sub 2 in three of the meteorites studied are consistent with values using preatmospheric mass, entry velocity and entry angle of these meteorites.

A Delta-V map of the known Main Belt Asteroids

NASA Astrophysics Data System (ADS)

Taylor, Anthony; McDowell, Jonathan C.; Elvis, Martin

2018-05-01

With the lowered costs of rocket technology and the commercialization of the space industry, asteroid mining is becoming both feasible and potentially profitable. Although the first targets for mining will be the most accessible near Earth objects (NEOs), the Main Belt contains 106 times more material by mass. The large scale expansion of this new asteroid mining industry is contingent on being able to rendezvous with Main Belt asteroids (MBAs), and so on the velocity change required of mining spacecraft (delta-v). This paper develops two different flight burn schemes, both starting from Low Earth Orbit (LEO) and ending with a successful MBA rendezvous. These methods are then applied to the ∼700,000 asteroids in the Minor Planet Center (MPC) database with well-determined orbits to find low delta-v mining targets among the MBAs. There are 3986 potential MBA targets with a delta-v < 8 km s-1 , but the distribution is steep and reduces to just 4 with delta-v < 7 km s-1. The two burn methods are compared and the orbital parameters of low delta-v MBAs are explored.

Modeling urbanized watershed flood response changes with distributed hydrological model: key hydrological processes, parameterization and case studies

NASA Astrophysics Data System (ADS)

Chen, Y.

2017-12-01

Urbanization is the world development trend for the past century, and the developing countries have been experiencing much rapider urbanization in the past decades. Urbanization brings many benefits to human beings, but also causes negative impacts, such as increasing flood risk. Impact of urbanization on flood response has long been observed, but quantitatively studying this effect still faces great challenges. For example, setting up an appropriate hydrological model representing the changed flood responses and determining accurate model parameters are very difficult in the urbanized or urbanizing watershed. In the Pearl River Delta area, rapidest urbanization has been observed in China for the past decades, and dozens of highly urbanized watersheds have been appeared. In this study, a physically based distributed watershed hydrological model, the Liuxihe model is employed and revised to simulate the hydrological processes of the highly urbanized watershed flood in the Pearl River Delta area. A virtual soil type is then defined in the terrain properties dataset, and its runoff production and routing algorithms are added to the Liuxihe model. Based on a parameter sensitive analysis, the key hydrological processes of a highly urbanized watershed is proposed, that provides insight into the hydrological processes and for parameter optimization. Based on the above analysis, the model is set up in the Songmushan watershed where there is hydrological data observation. A model parameter optimization and updating strategy is proposed based on the remotely sensed LUC types, which optimizes model parameters with PSO algorithm and updates them based on the changed LUC types. The model parameters in Songmushan watershed are regionalized at the Pearl River Delta area watersheds based on the LUC types of the other watersheds. A dozen watersheds in the highly urbanized area of Dongguan City in the Pearl River Delta area were studied for the flood response changes due to urbanization, and the results show urbanization has big impact on the watershed flood responses. The peak flow increased a few times after urbanization which is much higher than previous reports.

The Role of Solvent-Solute Interactions on The Behavior of Low Molecular Mass Organo-Gelators

NASA Astrophysics Data System (ADS)

Cavicchi, Kevin; Feng, Li

2012-02-01

Low molecular mass organo-gelators (LMOGs) are a class of small molecules that can self-assemble in organic solvents to form three-dimensional fibrillar networks. This has a profound effect on the viscoelastic properties of the solution causing physical gelation. These gels have uses in a range of industries including cosmetics, foodstuffs, plastics, petroleum and pharmaceuticals. A fundamental question in this field is: What makes a good LMOG? This talk will discuss the relationships between the viscoelastic properties and thermodynamic phase behavior of LMOG/solvent solutions. The regular solution model was used to fit the liquidus line and sol/gel transition temperature vs. concentration in different solvents to determine LMOG-solvent interaction parameters (χ = A/T). This parameter A was found to scale with the solubility parameter of the solvent, especially for non-polar solvents. This demonstrates that gelation is strongly linked to LMOG solubility and indicates that the bulk thermodynamic parameters of the LMOG (solubility parameter and melting temperature) are useful to predict the solution behavior of LMOGs.

Update in pediatrics: focus on fat-soluble vitamins.

PubMed

Sathe, Meghana N; Patel, Ashish S

2010-08-01

This article provides an update on fat-soluble vitamins (A, D, E, and K) in the healthy pediatric population and in children with chronic disease states that commonly cause deficiencies, specifically cystic fibrosis and cholestatic liver disease. For each fat-soluble vitamin, the biological function, nutrition availability, absorption, deficiency, toxic states, and monitoring parameters are defined.

Solubility and surface thermodynamics of conducting polymers by inverse gas chromatography. III: polypyrrole chloride.

PubMed

Duaij, Omar K; Alghamdi, Ali; Al-Saigh, Zeki Y

2013-05-24

Inverse gas chromatography, IGC, was applied to characterize conducting polypyrrole chloride (PPyCl) using twenty three solvents. IGC is able to reveal the change in the morphology, the strength of solvent-PPyCl interactions, thermodynamics parameters (χ12, Ω1(∞)), solvent and polymer solubility parameters, and molar heats of sorption, mixing and evaporation (ΔH1(s), ΔH1(∞), ΔH1(v)). The following solvents showed stronger interactions than others; yet, none of these solvents are good solvents for PPyCl: dodecane among the alkane family, tetrahydrofuran and methyl ethyl ketone among the oxy and keto group, dichloromethane among the chlorinated group up to 120°C and chloroform at 180°C, and toluene among the cyclic and aromatic group. Overall, the groups showed higher affinities to PPyCl are: acetates, oxy and cyclic, and chlorinated groups. Comprehensive solvents and PPyCl solubility parameters are obtained. The latter showed that PPyCl is not soluble in any solvent used. Copyright © 2013 Elsevier B.V. All rights reserved.

Dependence of the surface roughness of MAPLE-deposited films on the solvent parameters

NASA Astrophysics Data System (ADS)

Caricato, A. P.; Leggieri, G.; Martino, M.; Vantaggiato, A.; Valerini, D.; Cretì, A.; Lomascolo, M.; Manera, M. G.; Rella, R.; Anni, M.

2010-12-01

Matrix-assisted pulsed laser evaporation (MAPLE) was used to deposit layers of poly(9,9-dioctylfluorene) (PFO) to study the relation between the solvent properties (laser light absorption, boiling temperature and solubility parameters) and the morphology of the deposited films. To this end, the polymer was diluted (0.5 wt%) in tetrahydrofuran—THF, toluene and toluene/hexane mixtures. The thickness of the films was equal to 70±20 nm. The morphology and uniformity of the films was investigated by Atomic Force Microscopy and by the photoluminescence emission properties of the polymer films, respectively. It is shown that, although the solubility parameters of the solvents are important in controlling the film roughness and morphology, the optical absorption properties and boiling temperature play a very important role, too. In fact, for matrices characterized by the same total solubility parameter, lower roughness values are obtained for films prepared using solvents with lower penetration depth of the laser radiation and higher boiling temperatures.

The effect of relative solubility on crystal purity

NASA Astrophysics Data System (ADS)

Givand, Jeffrey Christopher

This study establishes the relationship between impurity incorporation in a crystal by lattice substitution and the solubility of that impurity in solution. The model system studied was L-isoleucine crystals contaminated by the isomorphic impurity L-leucine. Upon crystallization from aqueous solution by cooling, leucine is concentrated in the isoleucine unit cell through lattice substitution mechanisms. Attempts to reduce the degree of leucine incorporation via adjustments of the rate at which supersaturation is generated yielded marginal success. This work demonstrates that incorporation of leucine in the crystal can be considerably suppressed by reducing the solubility of product relative to the solubility of impurity. Changes to the relative solubility of the impurity were accomplished by the addition of various electrolytes and organic co-solvents to the aqueous amino acid solutions. The solubilities of the two amino acids were measured and compared to their solubilities in pure water. Changes in the ratio of pure-component solubilities were directly related to changes in crystal purity. This thermodynamic quantity of relative solubility was shown to be a key factor in determining impurity uptake by lattice substitution. In addition to the experimental observations, a fundamental thermodynamic link between relative solubility and crystal purity is established through this research. First, the amino acid solubility data as a function of temperature in all solvent mixtures were accurately correlated using a thermodynamic model. The parameters from this model were then adapted to a novel solid-solution thermodynamic model to express the crystal purity in terms of equilibrium solution impurity concentration. After the determination of one system specific parameter, the model is able to predict the crystal purity in a new solvent in which the pure-component solubilities are known. The ability of an electrolyte or co-solvent to improve crystal purity from a given level can now be determined based on existing solubility and purity measurements and solubilities of the product and impurity in the new solvent mixture.

Deformation effect in the fast neutron total cross section of aligned /sup 59/Co

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

Fasoli, U.; Pavan, P.; Toniolo, D.

1983-05-01

The variation of the total neutron cross section, ..delta..sigma/sub align/, on /sup 59/Co due to nuclear alignment of the target has been measured over the energy range from 0.8 to 20 MeV employing a cobalt single crystal with a 34% nuclear alignment. The results show that ..delta..sigma/sub align/ oscillates from a minimum of -5% at about 2.5 MeV to a maximum of +1% at about 10 MeV. The data were successfully fitted by optical model coupled-channel calculations. The coupling terms were deduced from a model representing the /sup 59/Co nucleus as a vibrational /sup 60/Ni core coupled to a protonmore » hole in a (1f/sub 7/2/) shell, without free parameters. The optical model parameters were determined by fitting the total cross section, which was independently measured. The theoretical calculations show that, at lower energies, ..delta..sigma/sub align/ depends appreciably on the coupling with the low-lying levels.« less

A study of the interaction between malachite green and lysozyme by steady-state fluorescence.

PubMed

Ding, Fei; Liu, Wei; Liu, Feng; Li, Zhi-Yuan; Sun, Ying

2009-09-01

The interaction of a N-methylated diaminotriphenylmethane dye, malachite green, with lysozyme was investigated by fluorescence spectroscopic techniques under physiological conditions. The binding parameters have been evaluated by fluorescence quenching methods. The results revealed that malachite green caused the fluorescence quenching of lysozyme through a static quenching procedure. The thermodynamic parameters like DeltaH and DeltaS were calculated to be -15.33 kJ mol(-1) and 19.47 J mol(-1) K(-1) according to van't Hoff equation, respectively, which proves main interaction between malachite green and lysozyme is hydrophobic forces and hydrogen bond contact. The distance r between donor (lysozyme) and acceptor (malachite green) was obtained to be 3.82 nm according to Frster's theory. The results of synchronous fluorescence, UV/vis and three-dimensional fluorescence spectra showed that binding of malachite green with lysozyme can induce conformational changes in lysozyme. In addition, the effects of common ions on the constants of lysozyme-malachite green complex were also discussed.

The wave-tide-river delta classification revisited: Introducing the effects of Humans on delta equilibriu

NASA Astrophysics Data System (ADS)

Besset, M.; Anthony, E.; Sabatier, F.

2016-12-01

The influence of physical processes on river deltas has long been identified, mainly on the basis of delta morphology. A cuspate delta is considered as wave-dominated, a delta with finger-like extensions is characterized as river-dominated, and a delta with estuarine re-entrants is considered tide-dominated (Galloway, 1975). The need for a more quantitative classification is increasingly recognized, and is achievable through quantified combinations, a good example being Syvitski and Saito (2007) wherein the joint influence of marine power - wave and tides - is compared to that of river influence. This need is further justified as deltas become more and more vulnerable. Going forward from the Syvitski and Saito (2007) approach, we confront, from a large database on 60 river deltas, the maximum potential power of waves and the tidal range (both representing marine power), and the specific stream power and river sediment supply reflecting an increasingly human-impacted river influence. The results show that 45 deltas (75%) have levels of marine power that are significantly higher than those of specific stream power. Five deltas have sufficient stream power to counterbalance marine power but a present sediment supply inadequate for them to be statistically considered as river-dominated. Six others have a sufficient sediment supply but a specific stream power that is not high enough for them to be statistically river-dominated. A major manifestation of the interplay of these parameters is accelerated delta erosion worldwide, shifting the balance towards marine power domination. Deltas currently eroding are mainly influenced by marine power (93%), and small deltas (< 300 km2 of deltaic protuberance) are the most vulnerable (82%). These high levels of erosion domination, compounded by accelerated subsidence, are related to human-induced sediment supply depletion and changes in water discharge in the face of the sediment-dispersive capacity of waves and currents.

Gq protein mediates UVB-induced cyclooxygenase-2 expression by stimulating HB-EGF secretion from HaCaT human keratinocytes

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

Seo, MiRan; Juhnn, Yong-Sung, E-mail: juhnn@snu.ac.kr

Ultraviolet (UV) radiation induces cyclooxygenase-2 expression to produce cellular responses including aging and carcinogenesis in skin. We hypothesised that heterotrimeric G proteins mediate UV-induced COX-2 expression by stimulating secretion of soluble HB-EGF (sHB-EGF). In this study, we aimed to elucidate the role and underlying mechanism of the {alpha} subunit of Gq protein (G{alpha}q) in UVB-induced HB-EGF secretion and COX-2 induction. We found that expression of constitutively active G{alpha}q (G{alpha}qQL) augmented UVB-induced HB-EGF secretion, which was abolished by knockdown of G{alpha}q with shRNA in HaCaT human keratinocytes. G{alpha}q was found to mediate the UVB-induced HB-EGF secretion by sequential activation of phospholipasemore » C (PLC), protein kinase C{delta} (PKC{delta}), and matrix metaloprotease-2 (MMP-2). Moreover, G{alpha}qQL mediated UVB-induced COX-2 expression in an HB-EGF-, EGFR-, and p38-dependent manner. From these results, we concluded that G{alpha}q mediates UV-induced COX-2 expression through activation of EGFR by HB-EGF, of which ectodomain shedding was stimulated through sequential activation of PLC, PKC{delta} and MMP-2 in HaCaT cells.« less

The vanishing limit of the square-well fluid: the adhesive hard-sphere model as a reference system.

PubMed

Largo, J; Miller, M A; Sciortino, F

2008-04-07

We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For small delta, the reduced second virial coefficient at the critical point B2*c is found to depend linearly on delta. The observed weak linear dependence is not sufficient to produce any significant observable effect if the critical temperature Tc is estimated via a constant B2*c assumption, due to the highly nonlinear transformation between B2*c and Tc. This explains the previously observed validity of the law of corresponding states. The critical density rho c is also found to be constant when measured in units of the cube of the average distance between two bonded particles (1+0.5 delta)sigma. The possibility of describing the delta-->0 dependence with precise functional forms provides improved accurate estimates of the critical parameters of the adhesive hard-sphere model.

The effect of parking orbit constraints on the optimization of ballistic planetary trajectories

NASA Technical Reports Server (NTRS)

Sauer, C. G., Jr.

1984-01-01

The optimization of ballistic planetary trajectories is developed which includes constraints on departure parking orbit inclination and node. This problem is formulated to result in a minimum total Delta V where the entire constrained injection Delta V is included in the optimization. An additional Delta V is also defined to allow for possible optimization of parking orbit inclination when the launch vehicle orbit capability varies as a function of parking orbit inclination. The optimization problem is formulated using primer vector theory to derive partial derivatives of total Delta V with respect to possible free parameters. Minimization of total Delta V is accomplished using a quasi-Newton gradient search routine. The analysis is applied to an Eros rendezvous mission whose transfer trajectories are characterized by high values of launch asymptote declination during particular launch opportunities. Comparisons in performance are made between trajectories where parking orbit constraints are included in the optimization and trajectories where the constraints are not included.

Effect of filler type and polishing on the discoloration of composite resin artificial teeth.

PubMed

Imamura, Soichiro; Takahashi, Hidekazu; Hayakawa, Iwao; Loyaga-Rendon, Paola G; Minakuchi, Shunsuke

2008-11-01

In this study, the effects of filler type and polishing on the discoloration of composite resin artificial teeth were examined. Four types of experimental resins were prepared: one was a matrix resin, while the others were composite resins containing three different types of fillers (nano-sized silica filler with or without silanization, and prepolymerized filler). Specimens were immersed in distilled water, coffee, red wine, or curry. Color change after immersion was measured using a colorimeter. Color difference values (delta E) and changes in translucency parameter (delta TP) were statistically analyzed using three-way ANOVA and Tukey's comparison. On the influence of the polishing factor, statistically significant differences were neither observed in delta E nor delta TP between polished and non-polished tooth surfaces. On the contrary, the influences of filler type and discoloration medium, and their interaction thereof, were significant. With unsilanized filler, the delta E value of composite resin artificial teeth was significantly increased.

K-->pipi amplitudes from lattice QCD with a light charm quark.

PubMed

Giusti, L; Hernández, P; Laine, M; Pena, C; Wennekers, J; Wittig, H

2007-02-23

We compute the leading-order low-energy constants of the DeltaS=1 effective weak Hamiltonian in the quenched approximation of QCD with up, down, strange, and charm quarks degenerate and light. They are extracted by comparing the predictions of finite-volume chiral perturbation theory with lattice QCD computations of suitable correlation functions carried out with quark masses ranging from a few MeV up to half of the physical strange mass. We observe a DeltaI=1/2 enhancement in this corner of the parameter space of the theory. Although matching with the experimental result is not observed for the DeltaI=1/2 amplitude, our computation suggests large QCD contributions to the physical DeltaI=1/2 rule in the GIM limit, and represents the first step to quantify the role of the charm-quark mass in K-->pipi amplitudes. The use of fermions with an exact chiral symmetry is an essential ingredient in our computation.

Determination of the D{sup 0}{yields}K{sup -}{pi}{sup +}{pi}{sup 0} and D{sup 0}{yields}K{sup -}{pi}{sup +}{pi}{sup +}{pi}{sup -} coherence factors and average strong-phase differences using quantum-correlated measurements

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

Lowrey, N.; Mehrabyan, S.; Selen, M.

The first measurements of the coherence factors (R{sub K{pi}}{sub {pi}{sup 0}} and R{sub K3{pi}}) and the average strong-phase differences ({delta}{sub D}{sup K{pi}}{sup {pi}{sup 0}} and {delta}{sub D}{sup K3{pi}}) for D{sup 0}{yields}K{sup -}{pi}{sup +}{pi}{sup 0} and D{sup 0}{yields}K{sup -}{pi}{sup +}{pi}{sup +}{pi}{sup -} are presented. These parameters can be used to improve the determination of the unitarity triangle angle {gamma} in B{sup -}{yields}DK{sup -} decays, where D is a D{sup 0} or D{sup 0} meson decaying to the same final state. The measurements are made using quantum-correlated, fully reconstructed D{sup 0}D{sup 0} pairs produced in e{sup +}e{sup -} collisions at the {psi}(3770)more » resonance. The measured values are: R{sub K{pi}}{sub {pi}{sup 0}}=0.84{+-}0.07, {delta}{sub D}{sup K{pi}}{sup {pi}{sup 0}}=(227{sub -17}{sup +14}) deg., R{sub K3{pi}}=0.33{sub -0.23}{sup +0.20}, and {delta}{sub D}{sup K3{pi}}=(114{sub -23}{sup +26}) deg. These results indicate significant coherence in the decay D{sup 0}{yields}K{sup -}{pi}{sup +}{pi}{sup 0}, whereas lower coherence is observed in the decay D{sup 0}{yields}K{sup -}{pi}{sup +}{pi}{sup +}{pi}{sup -}. The analysis also results in a small improvement in the knowledge of other D-meson parameters, in particular, the strong-phase difference for D{sup 0}{yields}K{sup -}{pi}{sup +}, {delta}{sub D}{sup K{pi}}, and the mixing parameter y.« less

Introduction of a proline residue into position 31 of the loop of the dimeric 4-alpha-helical protein ROP causes a drastic destabilization.

PubMed

Peters, K; Hinz, H J; Cesareni, G

1997-10-01

The exchange of an alanine with a proline residue in position 31 of the loop region of the dimeric 4-alpha-helical-bundle protein ROP causes a reduction in the alpha-helix content of 7% and a reduction in stability of about 40% compared to the wild type parameters. The Gibbs energy of unfolding by denaturants extrapolated linearly to zero denaturant concentration, delta G0D (buffer, 25 degrees C), has been determined to be 43 kJ (mol dimer)-1. The corresponding ROPwt value is 72 kJ (mol dimer)-1 (Steif et al., 1993). The extrapolated delta G0D values obtained from urea and GdmHCI un- and refolding studies are identical within error limits. Deconvolution of the stability values into enthalpy and entropy terms resulted in the following parameters. At T1/2 = 43 degrees C (Cprotein = 0.05 mg.ml-1) the ROP A31P mutant is characterized by delta Hv.H.0 = 272 kJ (mol dimer)-1, delta Cp = 7.2 kJ (mol dimer)-1 K-1, delta S0 = 762 J (mol dimer)-1 K-1. These parameters are only approximately 50% as large as the corresponding values of ROPwt. We assume that the significant reduction in stability reflects the absence of at least one hydrogen bond as well as deformation of the protein structure. This interpretation is supported by the reduction in the change in heat capacity observed for the A31P mutant relative to ROPwt, by the increased aggregation tendency of the mutant and by the reduced specific CD absorption at 222 nm. All results support the view that in the case of ROP protein the loop region plays a significant role in the maintenance of native structure and conformational stability.

Diffraction efficiency of photothermoplastic layers for the recording of discrete holograms

NASA Technical Reports Server (NTRS)

Koreshev, S. N.; Cherkasov, Yu. A.; Kislovskiy, I. L.

1987-01-01

An experimental and theoretical study of the dependence of eta of a digital phase Fourier hologram of a point object on the amount of deformation delta and the discrete-structure parameters representing the hologram is detailed. An expression is given for eta. Experiments were performed on photothermoplastic layers based on polyvinyl carbazole and trinitrofluorenone charge transfer complexes. The maximum eta, 2%, is found at delta = 0.56 micron.

Kinetics of adsorption of dyes from aqueous solution using activated carbon prepared from waste apricot.

PubMed

Onal, Yunus

2006-10-11

Adsorbent (WA11Zn5) has been prepared from waste apricot by chemical activation with ZnCl(2). Pore properties of the activated carbon such as BET surface area, pore volume, pore size distribution, and pore diameter were characterized by N(2) adsorption and DFT plus software. Adsorption of three dyes, namely, Methylene Blue (MB), Malachite Green (MG), Crystal Violet (CV), onto activated carbon in aqueous solution was studied in a batch system with respect to contact time, temperature. The kinetics of adsorption of MB, MG and CV have been discussed using six kinetic models, i.e., the pseudo-first-order model, the pseudo-second-order model, the Elovich equation, the intraparticle diffusion model, the Bangham equation, the modified Freundlich equation. Kinetic parameters and correlation coefficients were determined. It was shown that the second-order kinetic equation could describe the adsorption kinetics for three dyes. The dyes uptake process was found to be controlled by external mass transfer at earlier stages (before 5 min) and by intraparticle diffusion at later stages (after 5 min). Thermodynamic parameters, such as DeltaG, DeltaH and DeltaS, have been calculated by using the thermodynamic equilibrium coefficient obtained at different temperatures and concentrations. The thermodynamics of dyes-WA11Zn5 system indicates endothermic process.

Changes in habitat availability for outmigrating juvenile salmon (Oncorhychus spp.) following estuary restoration

USGS Publications Warehouse

Ellings, Christopher S.; Davis, Melanie; Grossman, Eric E.; Hodgson, Sayre; Turner, Kelley L.; Woo PR, Isa; Nakai, Glynnis; Takekawa, Jean E.; Takekawa, John Y.

2016-01-01

The restoration of the Nisqually River Delta (Washington, U.S.A.) represents one of the largest efforts toward reestablishing the ecosystem function and resilience of modified habitat in the Puget Sound, particularly for anadromous salmonid species. The opportunity for outmigrating salmon to access and benefit from the expansion of available tidal habitat can be quantified by several physical attributes, which are related to the ecological and physiological responses of juvenile salmon. We monitored a variety of physical parameters to measure changes in opportunity potential from historic, pre-restoration, and post-restoration habitat conditions at several sites across the delta. These parameters included channel morphology, water quality, tidal elevation, and landscape connectivity. We conducted fish catch surveys across the delta to determine if salmon was utilizing restored estuary habitat. Overall major channel area increased 42% and major channel length increased 131% from pre- to post-restoration conditions. Furthermore, the results of our tidal inundation model indicated that major channels were accessible up to 75% of the time, as opposed to 30% pre-restoration. Outmigrating salmon utilized this newly accessible habitat as quickly as 1 year post-restoration. The presence of salmon in restored tidal channels confirmed rapid post-restoration increases in opportunity potential on the delta despite habitat quality differences between restored and reference sites.

Effects of acute oral Delta9-tetrahydrocannabinol and standardized cannabis extract on the auditory P300 event-related potential in healthy volunteers.

PubMed

Roser, Patrik; Juckel, Georg; Rentzsch, Johannes; Nadulski, Thomas; Gallinat, Jürgen; Stadelmann, Andreas M

2008-08-01

Reduced amplitudes of auditory evoked P300 are a robust finding in schizophrenic patients, indicating deficient attentional resource allocation and active working memory. Delta9-Tetrahydrocannabinol (Delta9-THC), the main active constituent of Cannabis sativa, has been known to acutely impair cognitive abilities in several domains, particularly in memory and attention. Given the psychotic-like effects of Delta9-THC, a cannabinoid hypothesis of schizophrenia has been proposed. This prospective, double-blind, placebo-controlled cross-over study investigated the acute effects of cannabinoids on P300 amplitude in 20 healthy volunteers (age 28.2+/-3.1 years, 10 male) by comparing Delta9-THC and standardized cannabis extract containing Delta9-THC and cannabidiol (CBD). P300 waves were recorded during a choice reaction task. As expected, Delta9-THC revealed a significant reduction of P300 amplitude at midline frontal, central, and parietal electrodes. CBD has been known to abolish many of the psychotropic effects of Delta9-THC, but, unexpectedly, failed to demonstrate a reversal of Delta9-THC-induced P300 reduction. Moreover, there were no correlations between cannabinoid plasma concentrations and P300 parameters. These data suggest that Delta(9)-THC may lead to acute impairment of attentional functioning and working memory. It can be speculated whether the lack of effect of CBD may be due to an insufficient dose used or to an involvement of neurotransmitter systems in P300 generation which are not influenced by CBD.

Migration in Deltas: An Integrated Analysis

NASA Astrophysics Data System (ADS)

Nicholls, Robert J.; Hutton, Craig W.; Lazar, Attila; Adger, W. Neil; Allan, Andrew; Arto, Inaki; Vincent, Katharine; Rahman, Munsur; Salehin, Mashfiqus; Sugata, Hazra; Ghosh, Tuhin; Codjoe, Sam; Appeaning-Addo, Kwasi

2017-04-01

Deltas and low-lying coastal regions have long been perceived as vulnerable to global sea-level rise, with the potential for mass displacement of exposed populations. The assumption of mass displacement of populations in deltas requires a comprehensive reassessment in the light of present and future migration in deltas, including the potential role of adaptation to influence these decisions. At present, deltas are subject to multiple drivers of environmental change and often have high population densities as they are accessible and productive ecosystems. Climate change, catchment management, subsidence and land cover change drive environmental change across all deltas. Populations in deltas are also highly mobile, with significant urbanization trends and the growth of large cities and mega-cities within or adjacent to deltas across Asia and Africa. Such migration is driven primarily by economic opportunity, yet environmental change in general, and climate change in particular, are likely to play an increasing direct and indirect role in future migration trends. The policy challenges centre on the role of migration within regional adaptation strategies to climate change; the protection of vulnerable populations; and the future of urban settlements within deltas. This paper reviews current knowledge on migration and adaptation to environmental change to discern specific issues pertinent to delta regions. It develops a new integrated methodology to assess present and future migration in deltas using the Volta delta in Ghana, Mahanadi delta in India and Ganges-Brahmaputra-Meghna delta across India and Bangladesh. The integrated method focuses on: biophysical changes and spatial distribution of vulnerability; demographic changes and migration decision-making using multiple methods and data; macro-economic trends and scenarios in the deltas; and the policies and governance structures that constrain and enable adaptation. The analysis is facilitated by a range of consistent scenarios from global to delta scales, developed in consultation with major stakeholders. Initial results suggest that migration decision-making strongly interacts with diverse measures for adaptation of land, water and agricultural management. A key normative challenge is to identify the parameters of successful migration and adaptation across delta regions, to inform policy analysis and formulation. Key words: Deltas, sea-level rise, migration and adaptation Acknowledgement: DECCMA (Deltas, Vulnerability & Climate Change: Migration & Adaptation) project is part of the Collaborative ADAPTATION Research Initiative in Africa and Asia (CARIAA), with financial support from the UK Government's Department for International Development (DFID) and the International Development Research Centre (IDRC), Canada.

Improved tabletability after a polymorphic transition of delta-mannitol during twin screw granulation.

PubMed

Vanhoorne, V; Bekaert, B; Peeters, E; De Beer, T; Remon, J-P; Vervaet, C

2016-06-15

In most formulations processed via continuous twin screw granulation microcrystalline cellulose (MCC) and/or lactose are used as excipients, but mannitol is also a preferred excipient for wet granulation and tableting due to its non-hygroscopicity and inertness. Therefore, the aim of the current study was to investigate the influence of process parameters on critical quality attributes of granules (moisture content, solid state, morphology, size distribution, specific surface area, friability, flowability and hygroscopicity) and tablets (tensile strength and friability) after twin screw granulation of δ-mannitol. The δ-polymorph was selected since a moisture-induced transformation to β-mannitol was observed during batch wet granulation, which exhibited a unique morphology with a large surface area and improved tabletability. A full factorial experimental design was performed, varying screw speed (400-900rpm), granulation temperature (25-40°C), number of kneading elements (6 or 12) and liquid-to-solid (L/S) ratio, on the granulation unit of a ConsiGma™-25 line (a continuous powder-to-tablet manufacturing system). After tray drying the granules were milled and tableted. The results showed that the polymorphic transition from δ- to β-mannitol also occurred during twin screw granulation, although the residence time and L/S ratios were much lower in continuous twin screw granulation compared to batch processing. However, the polymorphic transition was not complete in all experiments and depended on the L/S ratio, screw speed and number of kneading elements. Nevertheless all granules exhibited the unique morphology linked to the polymorphic transition and had a superior tabletability compared to granules produced with β-mannitol as starting material. This was attributed to enhanced plastic deformation of the granules manufactured using δ-mannitol as starting material. In addition, it was concluded that mannitol was granulated via a different mechanism than other, less-soluble, excipients (e.g. lactose, microcrystalline cellulose) due to its high solubility and dissolution rate as the influence of process parameters on the mannitol granule characteristics was different. Copyright © 2016 Elsevier B.V. All rights reserved.

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions

PubMed Central

2012-01-01

Background Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Results Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. Conclusions The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions. PMID:23151272

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions.

PubMed

Khayet, Mohamed; Fernández, Victoria

2012-11-14

Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions.

Systematization, condensed description, and prediction of sets of anion exchange extraction constants on the basis of their statistical treatment by computer

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

Mezhov, E.A.; Reimarov, G.A.; Rubisov, V.N.

1987-05-01

On the basis of a statistical treatment of the entire set of published data on anion exchange extraction constants, the authors have refined and expanded the scale of the hydration parameters for the anions ..delta..G/sub hydr/ (the effective free energies of hydration for the anions). The authors have estimated the parameters ..delta..G for 93 anions and the coefficients % for 94 series of extraction systems, which are distinguished within each series only by the nature of the exchanging anions. The series are distinguished from one another by the nature of the cation extraction agent and the diluent.

Solubility of sugars and sugar alcohols in ionic liquids: measurement and PC-SAFT modeling.

PubMed

Carneiro, Aristides P; Held, Christoph; Rodríguez, Oscar; Sadowski, Gabriele; Macedo, Eugénia A

2013-08-29

Biorefining processes using ionic liquids (ILs) require proper solubility data of biomass-based compounds in ILs, as well as an appropriate thermodynamic approach for the modeling of such data. Carbohydrates and their derivatives such as sugar alcohols represent a class of compounds that could play an important role in biorefining. Thus, in this work, the pure IL density and solubility of xylitol and sorbitol in five different ILs were measured between 288 and 339 K. The ILs under consideration were 1-ethyl-3-methylimidazolium dicyanamide, 1-butyl-3-methylimidazolium dicyanamide ([bmim][DCA]), Aliquat dicyanamide, trihexyltetradecylphosphonium dicyanamide, and 1-ethyl-3-methylimidazolium trifluoroacetate. Comparison with the literature data was performed, showing good agreement. With the exception of [bmim][DCA], the solubility of these sugar alcohols in the other ILs is presented for the first time. The measured data as well as previously published solubility data of glucose and fructose in these ILs were modeled by means of PC-SAFT using a molecular-based associative approach for ILs. PC-SAFT was used in this work as it has shown to be applicable to model the solubility of xylitol and sorbitol in ILs (Paduszyński; et al. J. Phys. Chem. B 2013, 117, 7034-7046). For this purpose, three pure IL parameters were fitted to pure IL densities, activity coefficients of 1-propanol at infinite dilution in ILs, and/or xylitol solubility in ILs. This approach allows accurate modeling of the pure IL data and the mixture data with only one binary interaction parameter k(ij) between sugar and the IL or sugar alcohol and the IL. In cases where only the pure IL density and activity coefficients of 1-propanol at infinite dilution in ILs were used for the IL parameter estimation, the solubility of the sugars and sugar alcohols in the ILs could be predicted (k(ij) = 0 between sugar and the IL or sugar alcohol and the IL) with reasonable accuracy.

Time-dependent correlation of cerebral blood flow with oxygen metabolism in activated human visual cortex as measured by fMRI.

PubMed

Lin, Ai-Ling; Fox, Peter T; Yang, Yihong; Lu, Hanzhang; Tan, Li-Hai; Gao, Jia-Hong

2009-01-01

The aim of this study was to investigate the relationship between relative cerebral blood flow (delta CBF) and relative cerebral metabolic rate of oxygen (delta CMRO(2)) during continuous visual stimulation (21 min at 8 Hz) with fMRI biophysical models by simultaneously measuring of BOLD, CBF and CBV fMRI signals. The delta CMRO(2) was determined by both a newly calibrated single-compartment model (SCM) and a multi-compartment model (MCM) and was in agreement between these two models (P>0.5). The duration-varying delta CBF and delta CMRO(2) showed a negative correlation with time (r=-0.97, P<0.001); i.e., delta CBF declines while delta CMRO(2) increases during continuous stimulation. This study also illustrated that without properly calibrating the critical parameters employed in the SCM, an incorrect and even an opposite appearance of the flow-metabolism relationship during prolonged visual stimulation (positively linear coupling) can result. The time-dependent negative correlation between flow and metabolism demonstrated in this fMRI study is consistent with a previous PET observation and further supports the view that the increase in CBF is driven by factors other than oxygen demand and the energy demands will eventually require increased aerobic metabolism as stimulation continues.

Evolutionary dynamics of enzymes.

PubMed

Demetrius, L

1995-08-01

This paper codifies and rationalizes the large diversity in reaction rates and substrate specificity of enzymes in terms of a model which postulates that the kinetic properties of present-day enzymes are the consequence of the evolutionary force of mutation and selection acting on a class of primordial enzymes with poor catalytic activity and broad substrate specificity. Enzymes are classified in terms of their thermodynamic parameters, activation enthalpy delta H* and activation entropy delta S*, in their kinetically significant transition states as follows: type 1, delta H* > 0, delta S* < 0; type 2, delta H* < or = 0, delta S* < or = 0; type 3, delta H* > 0, delta S* > 0. We study the evolutionary dynamics of these three classes of enzymes subject to mutation, which acts at the level of the gene which codes for the enzyme and selection, which acts on the organism that contains the enzyme. Our model predicts the following evolutionary trends in the reaction rate and binding specificity for the three classes of molecules. In type 1 enzymes, evolution results in random, non-directional changes in the reaction rate and binding specificity. In type 2 and 3 enzymes, evolution results in a unidirectional increase in both the reaction rate and binding specificity. We exploit these results in order to codify the diversity in functional properties of present-day enzymes. Type 1 molecules will be described by intermediate reaction rates and broad substrate specificity. Type 2 enzymes will be characterized by diffusion-controlled rates and absolute substrate specificity. The type 3 catalysts can be further subdivided in terms of their activation enthalpy into two classes: type 3a (delta H* small) and type 3b (delta H* large). We show that type 3a will be represented by the same functional properties that identify type 2, namely, diffusion-controlled rates and absolute substrate specificity, whereas type 3b will be characterized by non-diffusion-controlled rates and absolute substrate specificity. We infer from this depiction of the three classes of enzymes, a general relation between the two functional properties, reaction rate and substrate specificity, namely, enzymes with diffusion-controlled rates have absolute substrate specificity. By appealing to energetic considerations, we furthermore show that enzymes with diffusion-controlled rates (types 2 and 3a) form a small subset of the class of all enzymes. This codification of present-day enzymes derived from an evolutionary model, essentially relates the structural properties of enzymes, as described by their thermodynamic parameters, to their functional properties, as represented by the reaction rate and substrate specificity.

CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3).

PubMed

Kaji, Hironori; Kusaka, Yasunari; Onoyama, Goro; Horii, Fumitaka

2006-04-05

The isomeric states and intermolecular packing of tris(8-hydroxyquinoline) aluminum(III) (Alq(3)) in the alpha-, gamma-, and delta-crystalline forms and in the amorphous state, which are important for understanding the light-emitting and electron-transport properties, have been analyzed by CP/MAS (13)C NMR. This simple NMR experiment shows that the isomeric state of alpha- and amorphous Alq(3) is meridional, whereas that of gamma- and delta-Alq(3) is facial. In the amorphous Alq(3), the inclusion of facial isomers has been under debate. Our experiments show that meridional isomers are dominant in the amorphous Alq(3), although the existence of facial isomers cannot be completely denied. The local structure of amorphous Alq(3) is similar to that of alpha-Alq(3) and is significantly different from those of gamma- and delta-Alq(3). Among these Alq(3) samples, the effect of intermolecular interaction is not found only for gamma-Alq(3). This finding can explain the good solvent solubility of gamma-Alq(3), compared with the other crystalline forms. It is also shown that the structures are locally disordered not only for amorphous Alq(3) but also for alpha-Alq(3), although clear X-ray diffraction peaks are observed for alpha-Alq(3). In contrast, the local structures of gamma- and delta-Alq(3) are well defined. A clear relation is found between the spectral patterns of CP/MAS (13)C NMR and the fluorescence wavelengths; the samples, which consist of facial isomers, show blue-shifted fluorescence compared with those of meridionals.

Origin of life and iron-rich clays

NASA Technical Reports Server (NTRS)

Hartman, H. H.

1986-01-01

The premise that life began with self-replicating iron-rich clays is explored. In association with these clays and UV light, polar organic molecules, such as oxalic acid, were synthesized. The carbonaceous chondrites have both iron-rich clays and organic molecules. It is convenient to classify meteoritic organic matter into 3 categories: insoluble polymer, hydrocarbons and polar organics (soluble in water). Recent work on the delta D, delta N-15 and delta C-13 has made it clear that these three fractions have been made by three different mechanisms. A significant fraction of the insoluble polymer has a delta-D which suggests that it was made in an interstellar medium. The hydrocarbons seem to have been made on a parent body by a Fischer-Tropsch mechanism. The polar organics were probably synthesized in a mixture of carbonate (NH4)2CO3, Fe(++) ion and liquid water by radiolysis. In a set of experiments the radiolysis of (NH4)2CO3 in the presence and absence of Fe(++) ion has been examined. The synthesis of glycine in the presence of Fe(++) ion is 3-4 times that in the absence of ferrous ion. The effects of the addition of hydrocarbons to this mixture are explored. Iron-rich clays at low temperature and pressure are synthesized. So far the results are not sufficiently crystalline to look for replication. It should be noted that organic chelating agents such as oxalic acid do increase the crystallinity of the clays but not sufficiently. The hydrothermal synthesis of iron-rich clays is being examined.

Similitude relations for buffet and wing rock on delta wings

NASA Astrophysics Data System (ADS)

Mabey, D. G.

1997-08-01

Vortex flow phenomena at high angles of incidence are of great interest to the designers of advanced combat aircraft. The steady phenomena (such as steady lift and pitching moments) are understood fairly well, whereas the unsteady phenomena are still uncertain. This paper addresses two important unsteady phenomena on delta wings. With regard to the frequency parameter of the quasi-periodic excitation caused by vortex bursting, a new correlation is established covering a range of sweep back from 60 to 75°. With regard to the much lower frequency parameter of limit-cycle rigid-body wing-rock, a new experiment shows conclusively that although the motion is non-linear, the frequency parameter can be predicted by quasi-steady theory. As a consequence, for a given sweep angle, the frequency parameter is inversely proportional to the square root of the inertia in roll. This is an important observation when attempting to extrapolate from model tests in wind tunnels to predict the wing-rock characteristics of aircraft.

Watershed-Scale Modeling of Land-Use and Altered Environment Impacts on Aquatic Weed Growth in the Delta

NASA Technical Reports Server (NTRS)

Bubenheim, David; Potter, Christopher; Zhang, Minghua

2016-01-01

The California Sacramento-San Joaquin River Delta is the hub for California's water supply, conveying water from Northern to Southern California agriculture and communities while supporting important ecosystem services, agriculture, and communities in the Delta. Changes in climate, long-term drought, and water quality have all been suspected as playing role in the dramatic expansion of invasive aquatic plants and their impact on ecosystems of the San Francisco Bay / California Delta complex. NASA Ames Research Center, USDA-Agricultural Research Service, the State of California, UC Davis, and local governments have partnered under a USDA sponsored project (DRAAWP) to develop science-based, adaptive-management strategies for invasive aquatic plants in Sacramento-San Joaquin Delta. Critical to developing management strategies is to understand how the Delta is affected by both the magnitude of fluctuations in land-use and climate / drought induced altered environments and how the plants respond to these altered environments. We utilize the Soil Water Assessment Tool (SWAT), a watershed-scale model developed to quantify the impact of land management practices in large and complex watersheds on water quality, as the backbone for a customized Delta model - Delta-SWAT. The model uses land-use, soils, elevation, and hydrologic routing to characterize pesticide and nutrient transport from the Sacramento and San Joaquin rivers watersheds and loading into the Delta. Land-use within the Delta, as well as water extraction to supply those functions, and the resulting return of water to Delta waterways are included in Delta-SWAT. Hydrologic transport within the Delta has required significant attention to address the lack of elevation driven transport processes. Delta-SWAT water quality trend estimates are compared with water quality monitoring conducted throughout the Delta. Aquatic plant response to water quality and other environmental factors is carried out using a customized model component. Plant response to the range of water quality factors, response times, and altered temperature and light regimes of the Delta have required gap-filling studies to provide model parameters. Delta-SWAT provides a tool for evaluating temporal and spatial effects of land-use and altered environments in the Delta and contributing watersheds on aquatic weed growth. Using Delta-SWAT for simulation modeling allows evaluation of historic and current conditions as well as consideration potential climate change and management practice outcomes. Delta-SWAT adds to the scientific understanding of dynamics in the Delta and enhances development of science-informed, management strategies and practices.

Three-dimensional representations of photo-induced electron transfer rates in pyrene-(CH2)n-N,N'-dimethylaniline systems obtained by three electron transfer theories.

PubMed

Rujkorakarn, Rong; Tanaka, Fumio

2009-01-01

The observed rates of photo-induced electron transfer (ET) from N,N'-dimethylaniline (DMA) to the excited pyrene (Py) in confined systems of pyrene-(CH(2))(n)-N,N'- dimethylaniline (PnD: n=1-3) were studied by molecular dynamic simulation (MD) and three kinds of electron transfer theories. ET parameters contained in Marcus theory (M theory), Bixon and Jortner theory (BJ theory) and Kakitani and Mataga theory (KM theory) were determined so as to fit the calculated fluorescence intensities with those obtained by the observed ET rates, according to a non-linear least squares method. Three-dimensional profiles of logarithm of calculated ET rates depending on two of three ET parameters, R, epsilon(0) and -DeltaG degrees were systematically examined with best-fit ET parameters of P1D. Bell shape dependencies of ET rate were predicted on R and on epsilon(0), and on -DeltaG degrees as well, by M theory and KM theory. The profiles of logarithm of ET rate calculated by BJ theory exhibited oscillatory dependencies not only on -DeltaG degrees , but also on R and on epsilon(0). Relationship between ET state and charge transfer complex was discussed with BJ theory.

Water-soluble ions in atmospheric aerosols measured in five sites in the Yangtze River Delta, China: Size-fractionated, seasonal variations and sources

NASA Astrophysics Data System (ADS)

Wang, Honglei; Zhu, Bin; Shen, Lijuan; Xu, Honghui; An, Junlin; Xue, Guoqiang; Cao, Jinfei

2015-12-01

In order to investigate the regional variations of water-soluble ions (WSIs), size-resolved measurement of aerosol particles and WSIs was conducted by using Anderson Sampler and Ion Chromatography at five sites (Nanjing, Suzhou, Lin'an, Hangzhou and Ningbo) in the Yangtze River Delta (YRD) region, China in the Autumn of 2012 and Winter, Spring and Summer of 2013. WSIs exhibited obvious seasonal variations due to the monsoon conversion, with the highest level in winter and lowest level in summer. The aerosol mass concentrations and WSIs in different size segments varied with four seasons. The dominant ions concentrations in PM2.1 ranked in the order of SO42- > NO3- > NH4+ > Cl- > K+ > Ca2+, and the dominant ions concentrations in PM2.1-10 ranked in the order of Ca2+ > NO3- > SO42- > Cl- > NH4+ > Na+. The size spectra of mass and WSIs concentration peaked mostly at 0.43-0.65 μm in four seasons. The concentration discrepancies of WSIs in different cities were caused by the geographic locations and emission source. It's belonged to ammonium-rich distribution in PM2.1 and ammonium-poor distribution in PM2.1-10 in the YRD region. The impact of temperature on mass concentrations of NO3- and NH4+ in PM2.1 were stronger than those in PM2.1-10. PCA analysis shows that the sources of WSIs dominant by anthropogenic sources, soil particles or falling dust, sea salt and burning process.

The importance of exercise gated blood pool imaging in Chagas Disease

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

Meneguetti, J.C.; Neto, J.E.; Hironaka, F.H.

1984-01-01

Myocardial involvement in Chagas Disease (CD) often leads to cardiomyopathy and heart failure. Patients (pts) with the indeterminate form (IF) have positive complement fixation test as the only abnormality. Cardiac form (CF) pts have positive serology, abnormal ECG with or without clinical symptoms. To investigate the degree of cardiac involvement in IF pts, exercise (handgrip) gated blood pool (EGBP) was performed on 77 CD male workers (46 IF, 17-50 yrs; 31 CF, 24-61 yrs) and 28 male (22-46 yrs) normal volunteers (NV). Regional wall motion (RWM), ventricular volumes (VV) and percent EF variation (..delta..%) were analysed. NV group shoed ..delta..%more » - 3.51 +- 4.86 with normal RWM and VV. IF pts showed ..delta..% - 4.27 +- 7.46 with >-10% drop in 22% of pts; RWM and VV were abnormal in 43% and 30%, respectively; at least one parameter was abnormal in 59% of pts. CF pts showed ..delta..%-10.52 +- 7.37 with >-10% drop in 59%; RWM and VV were abnormal in 79% and 83%, respectively; at least one parameter was abnormal in 86% of pts. No ..delta..% difference was found between NV and IF groups, but there was a significant difference between these two groups and CF pts. When EGBP is considered, only 41% of IF pts are normal. Also, 14% CF pts with ECG and serologic abnormalities have no cardiac dysfunction. This suggests that EGBP study should be included as a routine procedure in CD pts and used as a basis for a new classification of the disease.« less

Exploring Renner-Teller induced quenching in the reaction H(2S)+NH(a 1Delta): a combined experimental and theoretical study.

PubMed

Adam, L; Hack, W; McBane, G C; Zhu, H; Qu, Z-W; Schinke, R

2007-01-21

Experimental rate coefficients for the removal of NH(a (1)Delta) and ND(a (1)Delta) in collisions with H and D atoms are presented; all four isotope combinations are considered: NH+H, NH+D, ND+H, and ND+D. The experiments were performed in a quasistatic laser-flash photolysis/laser-induced fluorescence system at low pressures. NH(a (1)Delta) and ND(a (1)Delta) were generated by photolysis of HN(3) and DN(3), respectively. The total removal rate coefficients at room temperature are in the range of (3-5)x10(13) cm(3) mol(-1) s(-1). For two isotope combinations, NH+H and NH+D, quenching rate coefficients for the production of NH(X (3)Sigma(-)) or ND(X (3)Sigma(-)) were also determined; they are in the range of 1 x 10(13) cm(3) mol(-1) s(-1). The quenching rate coefficients directly reflect the strength of the Renner-Teller coupling between the (2)A(") and (2)A(') electronic states near linearity and so can be used to test theoretical models for describing this nonadiabatic process. The title reaction was modeled with a simple surface-hopping approach including a single parameter, which was adjusted to reproduce the quenching rate for NH+H; the same parameter value was used for all isotope combinations. The agreement with the measured total removal rate is good for all but one isotope combination. However, the quenching rates for the NH+D combination are only in fair (factor of 2) agreement with the corresponding measured data.

Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection

NASA Astrophysics Data System (ADS)

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

2017-02-01

Solubility parameter based methods have long been a valuable tool for solvent formulation and selection. Of these methods, the MOdified Separation of Cohesive Energy Density (MOSCED) has recently been shown to correlate well the equilibrium solubility of multifunctional non-electrolyte solids. However, before it can be applied to a novel solute, a limited amount of reference solubility data is required to regress the necessary MOSCED parameters. Here we demonstrate for the solutes methylparaben, ethylparaben, propylparaben, butylparaben, lidocaine and ephedrine how conventional molecular simulation free energy calculations or electronic structure calculations in a continuum solvent, here the SMD or SM8 solvation model, can instead be used to generate the necessary reference data, resulting in a predictive flavor of MOSCED. Adopting the melting point temperature and enthalpy of fusion of these compounds from experiment, we are able to predict equilibrium solubilities. We find the method is able to well correlate the (mole fraction) equilibrium solubility in non-aqueous solvents over four orders of magnitude with good quantitative agreement.

Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection.

PubMed

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

2017-02-01

Solubility parameter based methods have long been a valuable tool for solvent formulation and selection. Of these methods, the MOdified Separation of Cohesive Energy Density (MOSCED) has recently been shown to correlate well the equilibrium solubility of multifunctional non-electrolyte solids. However, before it can be applied to a novel solute, a limited amount of reference solubility data is required to regress the necessary MOSCED parameters. Here we demonstrate for the solutes methylparaben, ethylparaben, propylparaben, butylparaben, lidocaine and ephedrine how conventional molecular simulation free energy calculations or electronic structure calculations in a continuum solvent, here the SMD or SM8 solvation model, can instead be used to generate the necessary reference data, resulting in a predictive flavor of MOSCED. Adopting the melting point temperature and enthalpy of fusion of these compounds from experiment, we are able to predict equilibrium solubilities. We find the method is able to well correlate the (mole fraction) equilibrium solubility in non-aqueous solvents over four orders of magnitude with good quantitative agreement.

Depletion of proton motive force by nisin in Listeria monocytogenes cells.

PubMed

Bruno, M E; Kaiser, A; Montville, T J

1992-07-01

The basal proton motive force (PMF) levels and the influence of the bacteriocin nisin on the PMF were determined in Listeria monocytogenes Scott A. In the absence of nisin, the interconversion of the pH gradient (Z delta pH) and the membrane potential (delta psi) led to the maintenance of a fairly constant PMF at -160 mV over the external pH range 5.5 to 7.0. The addition of nisin at concentrations of greater than or equal to 5 micrograms/ml completely dissipated PMF in cells at external pH values of 5.5 and 7.0. With 1 microgram of nisin per ml, delta pH was completely dissipated but delta psi decreased only slightly. The action of nisin on PMF in L. monocytogenes Scott A was both time and concentration dependent. Valinomycin depleted only delta pH, whereas nigericin and carbonyl cyanide m-chlorophenylhydrazone depleted only delta psi, under conditions in which nisin depleted both. Four other L. monocytogenes strains had basal PMF parameters similar to those of strain Scott A. Nisin (2.5 micrograms/ml) also completely dissipated PMF in these strains.

Bimetallo-radical carbon-hydrogen bond activation of methanol and methane.

PubMed

Cui, Weihong; Zhang, X Peter; Wayland, Bradford B

2003-04-30

Carbon-hydrogen bond cleavage reactions of CH3OH and CH4 by a dirhodium(II) diporphyrin complex with a m-xylyl tether (.Rh(m-xylyl)Rh.(1)) are reported. Kinetic-mechanistic studies show that the substrate reactions are bimolecular and occur through the use of two Rh(II) centers in the molecular unit of 1. Second-order rate constants (T = 296 K) for the reactions of 1 with methanol (k(CH3OH) = 1.45 x 10-2 M-1 s-1) and methane (k(CH4) = 0.105 M-1 s-1) show a clear kinetic preference for the methane activation process. The methanol and methane reactions with 1 have large kinetic isotope effects (k(CH3OH)/k(CD3OD) = 9.7 +/- 0.8, k(CH4)/k(CD4) = 10.8 +/- 1.0, T = 296 K), consistent with a rate-limiting step of C-H bond homolysis through a linear transition state. Activation parameters for reaction of 1 with methanol (DeltaH = 15.6 +/- 1.0 kcal mol-1; DeltaS = -14 +/- 5 cal K-1 mol-1) and methane (DeltaH = 9.8 +/- 0.5 kcal mol-1; DeltaS = -30 +/- 3 cal K-1 mol-1) are reported.

Investigation of the relationships between the thermodynamic phase behavior and gelation behavior of a series of tripodal trisamide compounds

NASA Astrophysics Data System (ADS)

Feng, Li

Low molecular weight organic gelators(LMOGs) are important due to potential applications in many fields. Currently, most of the major studies focus on the empirical explanation of the crystallization for gelator assembly formation and morphologies, few efforts have been devoted to the thermodynamic phase behaviors and the effect of the non-ideal solution behavior on the structure of the resultant gels. In this research, tripodal trisamide compounds, synthesized from tris(2-aminoethyl)amine (TREN) by condensation with different acid chlorides, were studied as model LMOGs due to the simple one-step reaction and the commercially available chemical reactants. Gelation of organic solvents was investigated as a function of concentration and solvent solubility parameter.It has been found that the introduction of branches or cyclic units have dramatically improves the gelation ability compared to linear alkyl peripheral units. Fitting the liquidus lines using the regular solution model and calculation of the trisamide solubility parameter using solubility parameter theory gave good agreement with the trisamide solubility parameter calculated by group contribution methods. These results demonstrate that non-ideal solution behavior is an important factor in the gelation behavior of low molecular mass organic gelators. Understanding and controlling the thermodynamics and phase behaviors of the gel systems will provide effective ways to produce new efficient LMOGs in the future.

Investigations on the viscoelastic performance of pressure sensitive adhesives in drug-in-adhesive type transdermal films.

PubMed

Wolff, Hans-Michael; Irsan; Dodou, Kalliopi

2014-08-01

We aimed to investigate the effect of solubility parameter and drug concentration on the rheological behaviour of drug-in-adhesive films intended for transdermal application. Films were prepared over a range of drug concentrations (5%, 10% and 20% w/w) using ibuprofen, benzoic acid, nicotinic acid and lidocaine as model drugs in acrylic (Duro-Tak 87-4287 and Duro-Tak 87900A) or silicone (Bio-PSA 7-4301 and Bio-PSA 7-4302) pressure sensitive adhesives (PSAs). Saturation status of films was determined using light microscopy. Viscoelastic parameters were measured in rheology tests at 32°C. Subsaturated films had lower viscoelastic moduli whereas saturated films had higher moduli than the placebo films and/or a concentration-dependent increase in their modulus. Saturation concentration of each drug in the films was reflected by decreasing/increasing viscoelastic patterns. The viscoelastic windows (VWs) of the adhesive and drug-in-adhesive films clearly depicted the effect of solubility parameter differences, molar concentration of drug in the adhesive film and differences in PSA chemistry. Drug solubility parameters and molar drug concentrations have an impact on rheological patterns and thus on the adhesive performance of tested pressure sensitive adhesives intended for use in transdermal drug delivery systems. Use of the Flory equation in its limiting form was appropriate to predict drug solubility in the tested formulations.

Adaptive Management Methods to Protect the California Sacramento-San Joaquin Delta Water Resource

NASA Technical Reports Server (NTRS)

Bubenheim, David

2016-01-01

The California Sacramento-San Joaquin River Delta is the hub for California's water supply, conveying water from Northern to Southern California agriculture and communities while supporting important ecosystem services, agriculture, and communities in the Delta. Changes in climate, long-term drought, water quality changes, and expansion of invasive aquatic plants threatens ecosystems, impedes ecosystem restoration, and is economically, environmentally, and sociologically detrimental to the San Francisco Bay/California Delta complex. NASA Ames Research Center and the USDA-ARS partnered with the State of California and local governments to develop science-based, adaptive-management strategies for the Sacramento-San Joaquin Delta. The project combines science, operations, and economics related to integrated management scenarios for aquatic weeds to help land and waterway managers make science-informed decisions regarding management and outcomes. The team provides a comprehensive understanding of agricultural and urban land use in the Delta and the major water sheds (San Joaquin/Sacramento) supplying the Delta and interaction with drought and climate impacts on the environment, water quality, and weed growth. The team recommends conservation and modified land-use practices and aids local Delta stakeholders in developing management strategies. New remote sensing tools have been developed to enhance ability to assess conditions, inform decision support tools, and monitor management practices. Science gaps in understanding how native and invasive plants respond to altered environmental conditions are being filled and provide critical biological response parameters for Delta-SWAT simulation modeling. Operational agencies such as the California Department of Boating and Waterways provide testing and act as initial adopter of decision support tools. Methods developed by the project can become routine land and water management tools in complex river delta systems.

New possibilities for Cr/sup 3 +/ ions as activators of the active media of solid-state lasers

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

Zharikov, E.V.; Lavrishchev, S.V.; Laptev, V.V.

An analysis is made of the relationship between the excited-state lifetime of chromium and the ratio of the luminescence intensities in the /sup 4/T/sub 2/--/sup 4/A/sub 2/ and /sup 2/E--/sup 4/A/sub 2/ channels, on one hand, and the Cr/sup 3 +/..-->..acceptor energy transfer efficiency, on the other. A method is proposed for determination of the energy gap ..delta..E between the /sup 2/E and /sup 4/T/sub 2/ levels of Cr/sup 3 +/ from the temperature dependence of the Cr/sup 3 +/..-->..acceptor nonradiative transfer efficiency. Two independent methods were used to determine ..delta..E for gadolinium gallium garnet (GGG) crystals doped with chromiummore » and with chromium and neodymium. The probabilities of Cr/sup 3 +/ intracenter relaxation and typical parameters of the Cr/sup 3 +/--Nd/sup 3 +/ energy transfer process were also determined. It was found that the values of ..delta..E in gadolinium scandium gallium (GdScGaG) and lanthanum lutetium gallium garnet crystals are comparable with the values of kT at liquid helium temperature. It is shown that the high efficiency of the Cr/sup 3 +/..-->..Nd/sup 3 +/ nonradiative transfer in GGG and GdScGaG crystals doped with chromium and neodymium at room temperature is due to the relatively low value of ..delta..E. It is noted that there are many crystals having the garnet structure and low values of ..delta..E that are potentially suitable for developing lasers utilizing the /sup 4/T/sub 2/--/sup 4/A/sub 2/ electronic--vibrational transition in Cr/sup 3 +/ and having an emission frequency continuously tunable over a wide spectral range.« less

Flash NanoPrecipitation of organic actives via confined micromixing and block copolymer stabilization

NASA Astrophysics Data System (ADS)

Johnson, Brian K.

This dissertation provides a method and the understanding required to produce nanoparticles of organic actives using Flash NanoPrecipitation . The process comprises mixing a solvent phase containing molecularly dissolved amphiphilic block copolymer and an organic active with an anti-solvent. One block of the copolymer precipitates to alter the nucleation and growth of the organic active while the other remains in solution for particle stabilization. A custom built confined impinging jets (CIJ) mixer provides optimum micromixing at the laboratory or full scale within milliseconds. Comparison to other reactor designs is provided. The resulting nanoparticles have functional surfaces tailored to meet the needs of pharmaceutical or specialty chemical formulations. Example beta-carotene nanoparticles with a polyethylene oxide surface are produced at high concentration, high yield, low stabilizer content, and a size suitable for sterile filtration or larger. The technical challenges in nanoparticle production are explained via the characteristic times for mixing, copolymer aggregation, and organic active particle formation. The time for Flash NanoPrecipitation is shown to depend strongly on the time for copolymer aggregation, and control of the organic nucleation versus growth is critical to achieve nanoparticles. Mixing operating lines explain the impact of solubility differences between the colloidal stabilizer and the organic active as function of mixing rate. Techniques to measure the solubility of the copolymer and DeltaG° , DeltaH°, and DeltaS° of micellization are demonstrated. An analytical CIJ mixer is developed by quantifying the characteristic time and physical mechanism of mixing. The methodology described to find an absolute mixing lifetime is also applied to a vortex mixer at a spectrum of flow ratios away from one. Dimensional analysis using the process Damkohler number, defined as the ratio of the mixing to the process time, is applied to precipitation to quantify the induction time through knowledge of the mixing lifetime. Copolymer aggregation without an organic active to kinetically frozen nanoparticles occurs by a "fusion only" mechanism. By analogy to classical precipitation kinetics, the interfacial free energy of a diblock copolymer nanoparticle is determined for the first time. The composite dissertation provides a clear picture of Flash NanoPrecipitation for future research and applications.

Direct Delta-MBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers

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

Beste, Ariana; Vazquez-Mayagoitia, Alvaro; Ortiz, J. Vincent

2013-01-01

A direct method (D-Delta-MBPT(2)) to calculate second-order ionization potentials (IPs), electron affinities (EAs), and excitation energies is developed. The Delta-MBPT(2) method is defined as the correlated extension of the Delta-HF method. Energy differences are obtained by integrating the energy derivative with respect to occupation numbers over the appropriate parameter range. This is made possible by writing the second-order energy as a function of the occupation numbers. Relaxation effects are fully included at the SCF level. This is in contrast to linear response theory, which makes the D-Delta-MBPT(2) applicable not only to single excited but also higher excited states. We showmore » the relationship of the D-Delta-MBPT(2) method for IPs and EAs to a second-order approximation of the effective Fock-space coupled-cluster Hamiltonian and a second-order electron propagator method. We also discuss the connection between the D-Delta-MBPT(2) method for excitation energies and the CIS-MP2 method. Finally, as a proof of principle, we apply our method to calculate ionization potentials and excitation energies of some small molecules. For IPs, the Delta-MBPT(2) results compare well to the second-order solution of the Dyson equation. For excitation energies, the deviation from EOM-CCSD increases when correlation becomes more important. When using the numerical integration technique, we encounter difficulties that prevented us from reaching the Delta-MBPT(2) values. Most importantly, relaxation beyond the Hartree Fock level is significant and needs to be included in future research.« less

Determination of the solubility parameter of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate by inverse gas chromatography.

PubMed

Ma, Xiaohong; Wang, Qiang; Li, Xiaoping; Tang, Jun; Zhang, Zhengfang

2015-11-01

Thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM] BF4) were determined via inverse gas chromatography (IGC). Two groups of solvents with different chemical natures and polarities were used to obtain information about [BMIM] BF4-solvent interactions. The specific retention volume, molar heat of sorption, weight fraction activity coefficient, Flory-Huggins interaction parameter as well as solubility parameter were also determined in a temperature range of 333 - 373 K. The results showed that the selected solvents n-C10 to n-C12, carbon tetrachloride, cyclohexane and toluene were poor solvents for [BMIM] BF4, while dichloromethane, acetone, chloroform, methyl acetate, ethanol and methanol were favorite solvents for [BMIM] BF4. In addition, the solubility parameter of [ BMIM] BF4 was determined as 23.39 (J/cm3)0.5 by the extrapolation at 298 K. The experiment proved that IGC was a simple and accurate method to obtain the thermodynamic properties of ionic liquids. This study could be used as a reference to the application and research of the ionic liquids.

Characterization of interaction between doxycycline and human serum albumin by capillary electrophoresis-frontal analysis.

PubMed

Sun, Hanwen; He, Pan

2009-06-01

The binding of doxycycline to HSA under simulated physiological conditions (pH 7.4, 67 mM phosphate, I=0.17, drug concentration 100 microM, HSA concentration up to 475 microM, 36.5 degrees C) was studied by CE-frontal analysis. The number of primary binding sites, binding constant and physiological protein-binding percentage were 1.9, 1.51 x 10(3) M(-1) and 59.80%, respectively. In addition, the thermodynamic parameters including enthalpy change (DeltaH), entropy change (DeltaS) and free energy change (DeltaG) of the reaction were obtained in order to characterize the acting forces between doxycycline and HSA. Furthermore, to better understand the nature of doxycycline-HSA binding and to get information about potential interaction with other drugs, displacement experiments were performed. The results showed that doxycycline binds at site II of HSA.

Exosat/Delta - Demonstrated short-term backup launcher capability through international cooperation

NASA Technical Reports Server (NTRS)

Ganoung, J. K.; Altmann, G.; Eaton, P.; Kraft, J. D.

1983-01-01

The instrumentation, performance parameters, Delta launch implementation, and development program of the Exosat, launched in February 1983 are described. The X ray satellite was integrated into the Delta vehicle over a three month period, and will survey mainly previously observed X ray objects by directing its detectors at them just before they are occulted by the moon. The 120 kg science package, powered by 260 W of power from solar panels, include low- and medium-energy imaging devices. The spacecraft was originally intended for Ariane launch, but scheduling conflicts, plus the need for a polar-type orbit, dictated the use of the Western Space and Missile Center. Maintenance of Delta compatibility throughout the development of the Exosat facilitated the transfer of launch vehicles, as did full existing documentation of the spacecraft and familiarity between the ESA and NASA managers of the development and launch programs, respectively.

Spectrofluorimetric study of host-guest complexation of ibuprofen with beta-cyclodextrin and its analytical application.

PubMed

Manzoori, Jamshid L; Amjadi, Mohammad

2003-03-15

The characteristics of host-guest complexation between beta-cyclodextrin (beta-CD) and two forms of ibuprofen (protonated and deprotonated) were investigated by fluorescence spectrometry. 1:1 stoichiometries for both complexes were established and their association constants at different temperatures were calculated by applying a non-linear regression method to the change in the fluorescence of ibuprofen that brought about by the presence of beta-CD. The thermodynamic parameters (deltaH, deltaS and deltaG) associated with the inclusion process were also determined. Based on the obtained results, a sensitive spectrofluorimetric method for the determination of ibuprofen was developed with a linear range of 0.1-2 microg ml(-1) and a detection limit of 0.03 microg ml(-1). The method was applied satisfactorily to the determination of ibuprofen in pharmaceutical preparations. Copyright 2002 Elsevier Science B.V.

Syntheses and characterization of Ru(III) with chelating containing ONNO donor quadridentate Schiff bases.

PubMed

Refat, Moamen S; El-Korashy, Sabry A; Kumar, Deo Nandan; Ahmed, Ahmed S

2008-09-01

Complexes of ruthenium(III) with N,N'-disalicylidene-l,2-phenylenediamine (H2dsp), N,N'-disalicylidene-3,4-diaminotoluene (H2dst), 4-nitro-N,N'-disalicylidene-1,2-phenylenediamine (H2ndsp) and N,N'-disalicylidene ethylenediamine (H2salen) have been prepared and characterized by elemental analysis, molar conductivity, spectral methods (mid-infrared, 1H NMR and UV-vis spectra) and simultaneous thermal analysis (TG and DTG) techniques. The molar conductance measurements proved that all these complexes are non-electrolytes. The electronic spectra measurements were used to infer the structures. The IR spectra of the ligands and their complexes are used to identify the type of bonding. The kinetic thermodynamic parameters such as: E*, DeltaH*, DeltaS* and DeltaG* are estimated from the DTG curves. The four ligands and their complexes have been studied for their possible biological antifungal activity.

A semiempirical correlation between enthalpy of vaporization and saturation concentration for organic aerosol.

PubMed

Epstein, Scott A; Riipinen, Ilona; Donahue, Neil M

2010-01-15

To model the temperature-induced partitioning of semivolatile organics in laboratory experiments or atmospheric models, one must know the appropriate heats of vaporization. Current treatments typically assume a constant value of the heat of vaporization or else use specific values from a small set of surrogate compounds. With published experimental vapor-pressure data from over 800 organic compounds, we have developed a semiempirical correlation between the saturation concentration (C*, microg m(-3)) and the heat of vaporization (deltaH(VAP), kJ mol(-1)) for organics in the volatility basis set. Near room temperature, deltaH(VAP) = -11 log(10)C(300)(*) + 129. Knowledge of the relationship between C* and deltaH(VAP) constrains a free parameter in thermodenuder data analysis. A thermodenuder model using our deltaH(VAP) values agrees well with thermal behavior observed in laboratory experiments.

Experimental lead intoxication in dogs: a comparison of blood lead and urinary delta-aminolevulinic acid following intoxication and chelation therapy.

PubMed Central

Green, R A; Selby, L A; Zumwalt, R W

1978-01-01

Intravenous lead administration to dogs produced an acute syndrome of lead intoxication charcterized by depression, vomiting, anorexia and weight loss. The effect of chelation therapy with calcium disodium ethylene diamine tetraacetate, penicillamine or both was determined by serially monitoring changes in blood lead and urine delta-aminolevulinic acid. Following therapy, blood lead values were significantly lower in chelated dogs than non-treated lead exposed dogs on days 7 and 10. Urine delta-aminolevulinic acid at day 7 was significantly higher in untreated lead exposed dogs than in other groups. There was no significant difference in blood lead or urine delta-aminolevulinic acid between lead intoxicated dogs which underwent the indicated chelation therapy protocols. There was, however, a trend for higher urinary delta-aminolevulinic acid excretion in those intoxicated dogs undergoing calcium disodium ethylene diamine tetraacetate therapy as opposed to those undergoing penicilamine therapy. There was no significant correlation between blood lead and urinary delta-aminolevulinic acid previous to lead exposure. However, after lead exposure significant correlation was present at days 4, 7, 10 and 14. Certain lead exposed dogs following chelation therapy were noted to have normal blood lead levels but elevated urinary delta-aminolevulinic acid suggesting that blood lead does not always correlate with metabolic effects of lead in the body. Urinary delta-aminolevulinic acid was therefore recommended as an additional laboratory parameter which improved assessment of lead exposure in dogs, particularly in determining adequacy of chelation therapy. PMID:667707

Remote sensing of water quality and contaminants in the California Bay-Delta

NASA Astrophysics Data System (ADS)

Fichot, C. G.; Downing, B. D.; Windham-Myers, L.; Marvin-DiPasquale, M. C.; Bergamaschi, B. A.; Thompson, D. R.; Gierach, M. M.

2014-12-01

The California Bay-Delta is a highly altered ecosystem largely reclaimed from wetlands for agriculture, and millions of acres of farmland and Californians rely on the Bay-Delta for their water supply. The Bay-Delta also harbors important habitats for many organisms, including commercial and endangered species. Recently, the Delta Stewardship Council developed a two component mission (coequal goals) to 1) provide a more reliable water supply for California while 2) protecting, restoring, and enhancing the Bay-Delta ecosystem. Dissolved organic carbon, turbidity, and contaminants such as methylmercury represent important water quality issues for water management and in the context of wetland restoration in the Bay-Delta, and can threaten the achievement of the coequal goals. Here, we use field measurements of optical properties, chemical analyses, and remotely sensed data acquired with the airborne Portable Remote Imaging SpectroMeter (PRISM ; http://prism.jpl.nasa.gov/index.html) to demonstrate these water quality parameters and the study of their dynamics in the Bay-Delta are amenable to remote sensing. PRISM provides high signal-to-noise, high spatial resolution (~2 m), hyperspectral measurements of remote-sensing reflectance in the 350-1050 nm range, and therefore has the adequate resolutions for water quality monitoring in inland, optically complex waters. Remote sensing of water quality will represent a valuable complement to existing in situ water quality monitoring programs in this region and will help with decision-making to achieve the co-equal goals.

Influence of internal biogas production on hydrodynamic behavior of anaerobic fluidized-bed reactors.

PubMed

Wu, Chun-Sheng; Huang, Ju-Sheng; Chou, Hsin-Hsien

2006-01-01

Predictive models for describing the hydrodynamic behavior (bed-expansion and bed-pressure gradient) of a three-phase anaerobic fluidized bed reactor (AFBR) was developed according to wake theory together with more realistic dynamic bed-expansion experiments (with and without internal biogas production). A reliable correlation equation for the parameter k (mean volume ratio of wakes to bubbles) was also established, which is of help in estimating liquid hold up of fluidized beds. The experimental expansion ratio of three-phase fluidized beds (E(GLS)) was approximately 18% higher than that of two-phase fluidized beds (E(LS)); whereas the experimental bed-pressure gradient of the former [(-DeltaP/H)(GLS)] was approximately 9.3% lower than that of the latter [(-DeltaP/H)(LS)]. Both the experimental and modeling results indicated that a higher superficial gas velocity (u(g)) gave a higher E(GLS) and a higher E(GLS) to E(LS) ratio as well as a lower (-DeltaP/H)(GLS) and a lower (-DeltaP/H)(GLS) to (-DeltaP/H)(LS) ratio. As for the operation stability of the AFBR, the sensitivity of u(g) to expansion height (H(GLS)) and (-DeltaP/H)(GLS) is between the sensitivity of superficial liquid velocity and biofilm thickness. The model predictions of E(GLS), (-DeltaP)(GLS), and (-DeltaP/H)(GLS) agreed well the experimental measurements. Accordingly, the predictive models accounting for internal biogas production described fairly well the hydrodynamic behavior of the AFBR.

Reprint of: Effects of solution degassing on solubility, crystal growth and dissolution-Case study: Salicylic acid in methanol

NASA Astrophysics Data System (ADS)

Seidel, J.; Ulrich, J.

2017-07-01

The influence of dissolved gases on the crystallization parameter solubility, MZW, growth and dissolution rates was investigated experimentally using degassed and non-degassed (air-saturated) solutions. The results of this study show that degassing has no effect on the solubility curve of the used model substance salicylic acid (SA) in methanol (MeOH). This reveals in the assumption that a thermodynamic effect of dissolved gases can be excluded. Growth rates were measured by means of a desupersaturation method and the results indicate that the growth rates of SA are not affected by degassing. The results of the dissolution rate measurements reveal a distinct decrease in dissolution rates for non-degassed solutions compared to degassed solutions, especially, at low temperature (10 °C). To explain this phenomenon the gas solubility, represented by oxygen, in MeOH in dependence on the SA concentration was estimated by means of Hansen Solubility Parameters (HSP) [1]. It was found that the oxygen solubility decreases with increasing SA content which explains the inhibition of crystal dissolution in non-degassed solution compared to degassed solution. Moreover, this kind of 'drowing-out' mechanism would not appear in growth rate measurements, where indeed no effect of degassing could be observed.

Experimental Solubility Approach to Determine PDMS-Water Partition Constants and PDMS Activity Coefficients.

PubMed

Grant, Sharon; Schacht, Veronika J; Escher, Beate I; Hawker, Darryl W; Gaus, Caroline

2016-03-15

Freely dissolved aqueous concentration and chemical activity are important determinants of contaminant transport, fate, and toxic potential. Both parameters are commonly quantified using Solid Phase Micro-Extraction (SPME) based on a sorptive polymer such as polydimethylsiloxane (PDMS). This method requires the PDMS-water partition constants, KPDMSw, or activity coefficient to be known. For superhydrophobic contaminants (log KOW >6), application of existing methods to measure these parameters is challenging, and independent measures to validate KPDMSw values would be beneficial. We developed a simple, rapid method to directly measure PDMS solubilities of solid contaminants, SPDMS(S), which together with literature thermodynamic properties was then used to estimate KPDMSw and activity coefficients in PDMS. PDMS solubility for the test compounds (log KOW 7.2-8.3) ranged over 3 orders of magnitude (4.1-5700 μM), and was dependent on compound class. For polychlorinated biphenyls (PCBs) and polychlorinated dibenzo-p-dioxins (PCDDs), solubility-derived KPDMSw increased linearly with hydrophobicity, consistent with trends previously reported for less chlorinated congeners. In contrast, subcooled liquid PDMS solubilities, SPDMS(L), were approximately constant within a compound class. SPDMS(S) and KPDMSw can therefore be predicted for a compound class with reasonable robustness based solely on the class-specific SPDMS(L) and a particular congener's entropy of fusion, melting point, and aqueous solubility.

Physicochemical properties/descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. Part 2. Solubility in 1-octanol.

PubMed

Raevsky, O A; Perlovich, G L; Schaper, K-J

2007-01-01

On the basis of octanol solubility data (log S(o)) for 218 structurally diverse solid chemicals it was shown that the exclusive consideration of melting points did not provide satisfactory results in the quantitative prediction of this parameter (s = 0.92). The application of HYBOT physicochemical descriptors separately (s = 0.94) and together with melting points (s = 0.70) in the framework of a common regression model also was not successful, although contributions of volume-related and H-bond terms to solubility in octanol were identified. It was proposed that the main reason for such behaviour was the different crystal lattice interaction of different classes of chemicals. Successful calculations of the solubility in octanol of chemicals of interest were performed on the basis of the experimental solubility of structurally/physicochemically/numerically similar nearest neighbours with consideration of their difference in physicochemical parameters (molecular polarisability, H-bond acceptor and donor factors (s = 0.66)) and of these descriptors together with melting point differences (s = 0.38). Good results were obtained for all compounds having nearest neighbours with sufficient similarity, expressed by Tanimoto indexes, and by distances in the scaled 3D descriptor space. Obviously the success of this approach depends on the size of the database.

Effects of solution degassing on solubility, crystal growth and dissolution-Case study: Salicylic acid in methanol

NASA Astrophysics Data System (ADS)

Seidel, J.; Ulrich, J.

2017-02-01

The influence of dissolved gases on the crystallization parameter solubility, MZW, growth and dissolution rates was investigated experimentally using degassed and non-degassed (air-saturated) solutions. The results of this study show that degassing has no effect on the solubility curve of the used model substance salicylic acid (SA) in methanol (MeOH). This reveals in the assumption that a thermodynamic effect of dissolved gases can be excluded. Growth rates were measured by means of a desupersaturation method and the results indicate that the growth rates of SA are not affected by degassing. The results of the dissolution rate measurements reveal a distinct decrease in dissolution rates for non-degassed solutions compared to degassed solutions, especially, at low temperature (10 °C). To explain this phenomenon the gas solubility, represented by oxygen, in MeOH in dependence on the SA concentration was estimated by means of Hansen Solubility Parameters (HSP) [1]. It was found that the oxygen solubility decreases with increasing SA content which explains the inhibition of crystal dissolution in non-degassed solution compared to degassed solution. Moreover, this kind of 'drowing-out' mechanism would not appear in growth rate measurements, where indeed no effect of degassing could be observed.

Effect of phase and orbital wave parameter choices on CS and IOS degeneracy averaged differential cross sections

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

Khare, V.; Fitz, D.E.; Kouri, D.J.

1980-09-15

The effect of phase choice and partial wave parameter choice on CS and IOS inelastic degeneracy averaged differential cross sections is studied. An approximate simplified CS scattering amplitude for l-bar=1/2(l'+l) is derived and is shown to have a form which closely resembles the McGuire--Kouri scattering amplitude for odd ..delta..j transitions and reduces to it for even ..delta..j transitions. The choice of phase in the CS wave function is shown to result in different approximations which yield significantly different shapes for the degeneracy averaged differential cross section. Time reversal symmetry arguments are employed to select the proper phase choice. IOS calculationsmore » of the degeneracy averaged differential cross sections of He--CO, He--Cl and Ne--HD using l-bar=1/2(l+l') and the phase choice which ensures proper time reversal symmetry are found to correct the phase disagreement which was previously noted for odd ..delta..j transitions using l-bar=l or l' and either the time reversal phase or other phase choices.« less

Preparation of highly ordered cubic NaA zeolite from halloysite mineral for adsorption of ammonium ions.

PubMed

Zhao, Yafei; Zhang, Bing; Zhang, Xiang; Wang, Jinhua; Liu, Jindun; Chen, Rongfeng

2010-06-15

Well-ordered cubic NaA zeolite was first synthesized using natural halloysite mineral with nanotubular structure as source material by hydro-thermal method. SEM and HRTEM images indicate that the synthesized NaA zeolite is cubic-shaped crystal with planar surface, well-defined edges and symmetrical and uniform pore channels. The adsorption behavior of ammonium ions (NH(4)(+)) from aqueous solution onto NaA zeolite was investigated as a function of parameters such as equilibrium time, pH, initial NH(4)(+) concentration, temperature and competitive cations. The Langmuir and Freundlich adsorption models were applied to describe the equilibrium isotherms. A maximum adsorption capacity of 44.3 mg g(-1) of NH(4)(+) was achieved. The regeneration and reusable ability of this adsorbent was evaluated, and the results indicated that the recovered adsorbent could be used again for NH(4)(+) removal with nearly constant adsorption capacity. Thermodynamic parameters such as change in free energy (DeltaG(0)), enthalpy (DeltaH(0)) and entropy (DeltaS(0)) were also determined, which indicated that the adsorption was a spontaneous and exothermic process at ambient conditions. Compared with other adsorbents, the as-synthesized NaA zeolite displays a faster adsorption rate and higher adsorption capacity, which implies potential application for removing NH(4)(+) pollutants from wastewaters. Copyright 2010 Elsevier B.V. All rights reserved.

Analysis of Slow-Wave Activity and Slow-Wave Oscillations Prior to Somnambulism

PubMed Central

Jaar, Olivier; Pilon, Mathieu; Carrier, Julie; Montplaisir, Jacques; Zadra, Antonio

2010-01-01

Study Objectivies: Several studies have investigated slow wave sleep EEG parameters, including slow-wave activity (SWA) in relation to somnambulism, but results have been both inconsistent and contradictory. The first goal of the present study was to conduct a quantitative analysis of sleepwalkers' sleep EEG by studying fluctuations in spectral power for delta (1-4 Hz) and slow delta (0.5-1 Hz) before the onset of somnambulistic episodes. A secondary aim was to detect slow-wave oscillations to examine changes in their amplitude and density prior to behavioral episodes. Participants: Twenty-two adult sleepwalkers were investigated polysomnographically following 25 h of sleep deprivation. Results: Analysis of patients' sleep EEG over the 200 sec prior to the episodes' onset revealed that the episodes were not preceded by a gradual increase in spectral power for either delta or slow delta over frontal, central, or parietal leads. However, time course comparisons revealed significant changes in the density of slow-wave oscillations as well as in very slow oscillations with significant increases occurring during the final 20 sec immediately preceding episode onset. Conclusions: The specificity of these sleep EEG parameters for the occurrence and diagnosis of NREM parasomnias remains to be determined. Citation: Jaar O; Pilon M; Carrier J; Montplaisir J; Zadra A. Analysis of slow-wave activity and slow-wave oscillations prior to somnambulism. SLEEP 2010;33(11):1511-1516. PMID:21102993

Solid phase extraction of uranium(VI) onto benzoylthiourea-anchored activated carbon.

PubMed

Zhao, Yongsheng; Liu, Chunxia; Feng, Miao; Chen, Zhen; Li, Shuqiong; Tian, Gan; Wang, Li; Huang, Jingbo; Li, Shoujian

2010-04-15

A new solid phase extractant selective for uranium(VI) based on benzoylthiourea anchored to activated carbon was developed via hydroxylation, amidation and reaction with benzoyl isothiocyanate in sequence. Fourier transform infrared spectroscopy and total element analysis proved that benzoylthiourea had been successfully grafted to the surface of the activated carbon, with a loading capacity of 1.2 mmol benzoylthiourea per gram of activated carbon. The parameters that affect the uranium(VI) sorption, such as contact time, solution pH, initial uranium(VI) concentration, adsorbent dose and temperature, have been investigated. Results have been analyzed by Langmuir and Freundlich isotherm; the former was more suitable to describe the sorption process. The maximum sorption capacity (82 mg/g) for uranium(VI) was obtained at experimental conditions. The rate constant for the uranium sorption by the as-synthesized extractant was 0.441 min(-1) from the first order rate equation. Thermodynamic parameters (DeltaH(0)=-46.2 kJ/mol; DeltaS(0)=-98.0 J/mol K; DeltaG(0)=-17.5 kJ/mol) showed the adsorption of an exothermic process and spontaneous nature, respectively. Additional studies indicated that the benzoylthiourea-anchored activated carbon (BT-AC) selectively sorbed uranyl ions in the presence of competing ions, Na(+), Co(2+), Sr(2+), Cs(+) and La(3+). 2009 Elsevier B.V. All rights reserved.

Correlations between different tonometries and ocular biometric parameters in patients with primary congenital glaucoma.

PubMed

Mendes, Marcio Henrique; Betinjane, Alberto Jorge; Quiroga, Veronica Andrea

2013-01-01

To identify the correlation between the difference of intraocular pressure measurements (IOP) obtained using the Goldmann applanation tonometer (GAT) and three others tonometers (Handheld applanation tonometer - HAT, Dynamic contour tonometer - DCT and Tono-Pen®) with biometric characteristics (corneal diameter, pachymetry, keratometry and axial length) in patients with congenital glaucoma. A cross-sectional study was performed on 46 eyes from 46 patients with congenital glaucoma. IOP measurements were obtained in all patients using GAT, HAT, DCT and Tono-Pen®. Keratometry, pachymetry, biometry and corneal diameter measurements were performed after the IOP measurement. The order of the tonometries was randomized. The correlations between the differences of IOP values of GAT and the other tonometers (Delta-IOP), and the different biometric parameters were studied. Tono-Pen® Delta IOP revealed moderate positive correlation to keratometry (r=0.41, p=0.004). The other Delta-IOPs showed no correlation with any of the biometric characteristics evaluated. IOP differences between GAT (gold standard) and GAT, HAT, DCT or Tono-Pen tonometers seem not to correlate with majority of ocular biometric characteristics. The only exception was the keratometry, which correlated in a positive and moderate way with Tono-Pen® Delta-IOP. This result suggests that the differences of IOP values of Tono-Pen® and GAT increase with the steepness of the cornea.

Control of adaptive optic element displacement with the help of a magnetic rheology drive

NASA Astrophysics Data System (ADS)

Deulin, Eugeni A.; Mikhailov, Valeri P.; Sytchev, Victor V.

2000-10-01

The control system of adaptive optic of a large astronomical segmentated telescope was designed and tested. The dynamic model and the amplitude-frequency analysis of the new magnetic rheology (MR) drive are presented. The loop controlled drive consists of hydrostatic carrier, MR hydraulic loop controlling system, elastic thin wall seal, stainless seal which are united in a single three coordinate manipulator. This combination ensures short positioning error (delta) (phi)

Arachidonic acid enhances intracellular [Ca2+]i increase and mitochondrial depolarization induced by glutamate in cerebellar granule cells.

PubMed

Surin, A M; Bolshakov, A P; Mikhailova, M M; Sorokina, E G; Senilova, Ya E; Pinelis, V G; Khodorov, B I

2006-08-01

Maturation of primary neuronal cultures is accompanied by an increase in the proportion of cells that exhibit biphasic increase in free cytoplasmic Ca2+ ([Ca2+]i) followed by synchronic decrease in electrical potential difference across the inner mitochondrial membrane (DeltaPsim) in response to stimulation of glutamate receptors. In the present study we have examined whether the appearance of the second phase of [Ca2+]i change can be attributed to arachidonic acid (AA) release in response to the effect of glutamate (Glu) on neurons. Using primary culture of rat cerebellar granule cells we have investigated the effect of AA (1-20 microM) on [Ca2+]i, DeltaPsim, and [ATP] and changes in these parameters induced by neurotoxic concentrations of Glu (100 microM, 10-40 min). At =10 microM, AA caused insignificant decrease in DeltaPsim without any influence on [Ca2+]i. The mitochondrial ATPase inhibitor oligomycin enhanced AA-induced decrease in DeltaPsim; this suggests that AA may inhibit mitochondrial respiration. Addition of AA during the treatment with Glu resulted in more pronounced augmentation of [Ca2+]i and the decrease in DeltaPsim than the changes in these parameters observed during independent action of AA; removal of Glu did not abolish these changes. An inhibitor of the cyclooxygenase and lipoxygenase pathways of AA metabolism, 5,8,11,14-eicosatetraynoic acid, increased the proportion of neurons characterized by Glu-induced biphasic increase in [Ca2+]i and the decrease in DeltaPsim. Palmitic acid (30 microM) did not increase the percentage of neurons exhibiting biphasic response to Glu. Co-administration of AA and Glu caused 2-3 times more pronounced decrease in ATP concentrations than that observed during the independent effect of AA and Glu. The data suggest that AA may influence the functional state of mitochondria, and these changes may promote biphasic [Ca2+]i and DeltaPsim responses of neurons to the neurotoxic effect of Glu.

Novel Co(II) phthalocyanines of extended periphery and their water-soluble derivatives. Synthesis, spectral properties and catalytic activity

NASA Astrophysics Data System (ADS)

Filippova, Anna; Vashurin, Artur; Znoyko, Serafima; Kuzmin, Ilya; Razumov, Mikhail; Chernova, Alena; Shaposhnikov, Gennady; Koifman, Oscar

2017-12-01

Novel complexes of cobalt and copper with substituted phthalocyanines were synthesized and characterized. Their water-soluble derivatives were obtained by sulfonation under mild conditions and structurally proved. Aggregation equilibrium in water mediums was shown and influence of geometrical and electron parameters of macroheterocycle peripheral substituents on these processes was established. Catalytic activity upon liquid-phase oxidation of N,N-diethylcarbamodithiolate to thiuram E was studied. Kinetic parameters of substrate oxidation in presence of cobalt phthalocyanines were considered.

Application of the solubility parameter concept to the design of chemiresistor arrays

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

Hughes, R.C.; Yelton, W.G.; Ricco, A.J.

1998-04-01

Arrays of unheated chemically sensitive resistors (chemiresistors) can serve as extremely small, low power consumption sensors with simple read out electronics. Most work has focused on the exotic polymeric organic metals, but here the authors report new results on carbon loaded polymer composites, as well as polymeric ionic conductors. They use the solubility parameter concept to understand and categorize the chemiresistor responses and, in particular, they compare chemiresistors fabricated from polyisobutylene (PIB) to results from PIB coated acoustic wave sensors.

[Simultaneous determination of delta13C values of glycerol and ethanol in wine by liquid chromatography coupled with isotope ratio mass spectrometry].

PubMed

Li, Xuemin; Jia, Guangqun; Cao, Yanzhong; Zhang, Jinjie; Wang, Lei; Sun, Huiyuan

2013-12-01

A novel procedure was established for the characterization of delta13C values of glycerol and ethanol in wine by liquid chromatography-isotope ratio mass spectrometry (LC-IRMS). Several parameters influencing the separation of glycerol and ethanol from wine matrix were optimized. The precision and accuracy of the proposed method were 0.15 per thousand to 0.26 per thousand and 0.11 per thousand to 0.28 per thousand, respectively. The results obtained for 40 wine samples displayed that the delta13C value of glycerol ranged from--26.87 per thousand to--32.96 per thousand and that of ethanol ranged from--24.06 per thousand to--28.29 per thousand. Close correlations (R = 0.82) were obtained between the delta13C values of glycerol and ethanol. The proposed method didn't need complex sample treatment, and the delta13C values of glycerol and ethanol in wine can be simultaneously determined, thus improving the method in terms of simplicity and speed compared with traditional methods.

Surface-sediment grain-size distribution and sediment transport in the subaqueous Mekong Delta, Vietnam

NASA Astrophysics Data System (ADS)

Nguyen, T. T.; Stattegger, K.; Nittrouer, C.; Phung, P. V.; Liu, P.; DeMaster, D. J.; Bui, D. V.; Le, A. D.; Nguyen, T. N.

2016-02-01

Collected surface-sediment samples in coastal water around Mekong Delta (from distributary channels to Ca Mau Peninsula) were analyzed to determine surface-sediment grain-size distribution and sediment-transport trend in the subaqueous Mekong Delta. The grain-size data set of 238 samples was obtained by using the laser instrument Mastersizer 2000 and LS Particle Size Analyzer. Fourteen samples were selected for geochemical analysis (total-organic and carbonate content). These geochemical results were used to assist in interpreting variations of granulometricparamenters along the cross-shore transects. Nine transects were examined from CungHau river mouth to Ca Mau Peninsula and six thematic maps on the whole study area were made. The research results indicate that: (1) generally, the sediment becomes finer from the delta front downwards to prodelta and becomes coarser again and poorer sorted on the adjacent inner shelf due to different sources of sediment; (2) sediment-granulometry parameters vary among sedimentary sub-environments of the underwater part of Mekong Delta, the distance from sediment source and hydrodynamic regime controlling each region; (3) the net sediment transport is southwest toward the Ca Mau Peninsula.

Solubility of (+/-)-ibuprofen and S (+)-ibuprofen in the presence of cosolvents and cyclodextrins.

PubMed

Nerurkar, Jayanti; Beach, J W; Park, M O; Jun, H W

2005-01-01

Aqueous solubility is an important parameter for the development of liquid formulations and in the determination of bioavailability of oral dosage forms. Ibuprofen (IB), a nonsteroidal anti-inflammatory drug, is a chiral molecule and is currently used clinically as a racemate (racIB). However, the S form of ibuprofen or S(+)-ibuprofen (SIB) is the biologically active isomer and is primarily responsible for the antiinflammatory activity. Phase solubility studies were carried out to compare the saturation solubilities of racIB and SIB in the presence of common pharmaceutical solvents such as glycerol, sorbitol solution, propylene glycol (PG), and polyethylene glycol (PEG 300) over the range of 20% to 80% v/v in aqueous based systems. The solubilities of the two compounds were also compared in the presence of cyclodextrins such as beta cyclodextrin (CD), hydroxypropyl beta cyclodextrin (HPCD), and beta cyclodextrin sulfobutyl ether sodium salt (CDSB) over the range of 5% to 25% w/v. Solubility determinations were carried at 25 degrees C and 37 degrees C. Cosolvents exponentially increased the solubility of both SIB and racIB, especially in the presence of PG and PEG 300. Glycerol was not very effective in increasing the aqueous solubilities of both compounds, whereas sorbitol solution had a minimal effect on their solubility. PG and PEG 300 increased the solubility of SIB by 400-fold and 1500-fold, respectively, whereas the rise in solubility for racIB was 193-fold and 700-fold, respectively, at 25 degrees C for the highest concentration of the cosolvents used (80% v/v). Of the two compounds studied, higher equilibrium solubilities were observed for SIB as compared with racIB. The derivatized cyclodextrins increased the aqueous solubility of racIB and SIB in a concentration-dependent manner giving AL type of phase diagrams. The phase solubility diagrams indicated the formation of soluble inclusion complexes between the drugs and HPCD and CDSB, which was of 1:1 stoichiometry. The addition of underivatized CD reduced the solubility of racIB and SIB via the formation of an insoluble complex. The S form formed more stable complexes with HPCD and CDSB as compared with raclB. The solubilization process is discussed in terms of solvent polarity and differential solid-state structure of raclB and SIB. The thermodynamic parameters for the solubilization process are presented.

Estimating enthalpy of vaporization from vapor pressure using Trouton's rule.

PubMed

MacLeod, Matthew; Scheringer, Martin; Hungerbühler, Konrad

2007-04-15

The enthalpy of vaporization of liquids and subcooled liquids at 298 K (delta H(VAP)) is an important parameter in environmental fate assessments that consider spatial and temporal variability in environmental conditions. It has been shown that delta H(VAP)P for non-hydrogen-bonding substances can be estimated from vapor pressure at 298 K (P(L)) using an empirically derived linear relationship. Here, we demonstrate that the relationship between delta H(VAP)and PL is consistent with Trouton's rule and the ClausiusClapeyron equation under the assumption that delta H(VAP) is linearly dependent on temperature between 298 K and the boiling point temperature. Our interpretation based on Trouton's rule substantiates the empirical relationship between delta H(VAP) degree and P(L) degrees for non-hydrogen-bonding chemicals with subcooled liquid vapor pressures ranging over 15 orders of magnitude. We apply the relationship between delta H(VAP) degrees and P(L) degrees to evaluate data reported in literature reviews for several important classes of semivolatile environmental contaminants, including polycyclic aromatic hydrocarbons, chlorobenzenes, polychlorinated biphenyls and polychlorinated dibenzo-dioxins and -furans and illustrate the temperature dependence of results from a multimedia model presented as a partitioning map. The uncertainty associated with estimating delta H(VAP)degrees from P(L) degrees using this relationship is acceptable for most environmental fate modeling of non-hydrogen-bonding semivolatile organic chemicals.

Solubility studies of inorganic-organic hybrid nanoparticle photoresists with different surface functional groups

NASA Astrophysics Data System (ADS)

Li, Li; Chakrabarty, Souvik; Jiang, Jing; Zhang, Ben; Ober, Christopher; Giannelis, Emmanuel P.

2016-01-01

The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07334k

Energetic and spatial parameters for gating of the bacterial large conductance mechanosensitive channel, MscL

NASA Technical Reports Server (NTRS)

Sukharev, S. I.; Sigurdson, W. J.; Kung, C.; Sachs, F.

1999-01-01

MscL is multimeric protein that forms a large conductance mechanosensitive channel in the inner membrane of Escherichia coli. Since MscL is gated by tension transmitted through the lipid bilayer, we have been able to measure its gating parameters as a function of absolute tension. Using purified MscL reconstituted in liposomes, we recorded single channel currents and varied the pressure gradient (P) to vary the tension (T). The tension was calculated from P and the radius of curvature was obtained using video microscopy of the patch. The probability of being open (Po) has a steep sigmoidal dependence on T, with a midpoint (T1/2) of 11.8 dyn/cm. The maximal slope sensitivity of Po/Pc was 0.63 dyn/cm per e-fold. Assuming a Boltzmann distribution, the energy difference between the closed and fully open states in the unstressed membrane was DeltaE = 18.6 kBT. If the mechanosensitivity arises from tension acting on a change of in-plane area (DeltaA), the free energy, TDeltaA, would correspond to DeltaA = 6.5 nm2. MscL is not a binary channel, but has four conducting states and a closed state. Most transition rates are independent of tension, but the rate-limiting step to opening is the transition between the closed state and the lowest conductance substate. This transition thus involves the greatest DeltaA. When summed over all transitions, the in-plane area change from closed to fully open was 6 nm2, agreeing with the value obtained in the two-state analysis. Assuming a cylindrical channel, the dimensions of the (fully open) pore were comparable to DeltaA. Thus, the tension dependence of channel gating is primarily one of increasing the external channel area to accommodate the pore of the smallest conducting state. The higher conducting states appear to involve conformational changes internal to the channel that don't involve changes in area.

A Sensitivity Analysis of Triggers and Mechanisms of Mass Movements in Fjords

NASA Astrophysics Data System (ADS)

Overeem, I.; Lintern, G.; Hill, P.

2016-12-01

Fjords are characterized by rapid sedimentation as they typically drain glaciated river catchments with high seasonal discharges and large sediment evacuation rates. For this reason, fjords commonly experience submarine mass movements; failures of the steep delta front that trigger tsunamis, and turbidity currents or debris flows. Repeat high-resolution bathymetric surveys, and in-situ process measurements collected in fjords in British Columbia, Canada, indicate that mass movements occur many times per year in some fjords and are more rare and of larger magnitude in other fjords. We ask whether these differences can be attributed to river discharge characteristics or to grainsize characteristics of the delivered sediment. To test our ideas, we couple a climate-driven river sediment transport model, HydroTrend, and a marine sedimentation model, Sedflux2D, to explore the triggers of submarine failures and mechanisms of subsequent turbidity and debris flows. HydroTrend calculates water and suspended sediment transport on a daily basis based on catchment characteristics, glaciated area, lakes and temperature and precipitation regime. Sedflux uses the generated river time-series to simulate delta plumes, failures and mass movements with separate process models. Model uncertainty and parameter sensitivity are assessed using Dakota Tools, which allows for a systematic exploration of the effects of river basin characteristics and climate scenarios on occurrence of hyperpycnal events, delta front sedimentation rate, submarine pore pressure, failure frequency and size, and run-out distances. Preliminary simulation results point to the importance of proglacial lakes and lakes abundance in the river basin, which has profound implications for event-based sediment delivery to the delta apex. Discharge-sediment rating curves can be highly variable based on these parameters. Distinction of turbidity currents and debris flows was found to be most sensitive to both earthquake frequency and delta front grainsize. As a first step we compare these model experiments against field data from the Squamish River and Delta in Howe Sound, BC.

Pairing matrix elements and pairing gaps with bare, effective, and induced interactions

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

Barranco, F.; Bortignon, P.F.; Colo, G.

2005-11-01

The dependence on the single-particle states of the pairing matrix elements of the Gogny force and of the bare low-momentum nucleon-nucleon potential v{sub low-k}--designed so as to reproduce the low-energy observables avoiding the use of a repulsive core--is studied for a typical finite, superfluid nucleus ({sup 120}Sn). It is found that the matrix elements of v{sub low-k} follow closely those of v{sub Gogny} on a wide range of energy values around the Fermi energy e{sub F}, those associated with v{sub low-k} being less attractive. This result explains the fact that around e{sub F} the pairing gap {delta}{sub Gogny} associated withmore » the Gogny interaction (and with a density of single-particle levels corresponding to an effective k mass m{sub k}{approx_equal}0.7 m) is a factor of about 2 larger than {delta}{sub low-k}, being in agreement with {delta}{sub exp}=1.4 MeV. The exchange of low-lying collective surface vibrations among pairs of nucleons moving in time-reversal states gives rise to an induced pairing interaction v{sub ind} peaked at e{sub F}. The interaction (v{sub low-k}+v{sub ind}) Z{sub {omega}} arising from the renormalization of the bare nucleon-nucleon potential and of the single-particle motion ({omega}-mass and quasiparticle strength Z{sub {omega}}) associated with the particle-vibration coupling mechanism, leads to a value of the pairing gap at the Fermi energy {delta}{sub ren} that accounts for the experimental value. An important question that remains to be studied quantitatively is to what extent {delta}{sub Gogny}, which depends on average parameters, and {delta}{sub ren}, which explicitly depends on the parameters describing the (low-energy) nuclear structure, display or not a similar isotopic dependence and whether this dependence is borne out by the data.« less

The removal of myoplasmic free calcium following calcium release in frog skeletal muscle.

PubMed Central

Melzer, W; Ríos, E; Schneider, M F

1986-01-01

Transient changes in intracellular free calcium concentration (delta [Ca2+]) in response to pulse depolarizations were monitored in isolated segments of single frog skeletal muscle fibres cut at both ends and voltage clamped at a holding potential of -90 mV in a double-Vaseline-gap chamber. Calcium transients were monitored optically using the metallochromic indicator dye Antipyrylazo III (APIII), which entered the fibre by diffusion from the solution applied to the cut ends. Optical artifacts due to fibre movement were minimized or eliminated by stretching the fibres to sarcomere lengths at which there was little or no overlap of thick and thin contractile filaments. Remaining movement-independent optical changes intrinsic to the fibre and unrelated to the dye were monitored at 850 nm, where free and dye-bound APIII have no absorbance. These 850 nm signals scaled by lambda -1.2 were used to remove intrinsic components from the signals at 700 or 720 nm, wave-lengths at which the APIII absorbance increases when calcium is bound. The corrected 700 or 720 nm signals were used to calculate delta [Ca2+]. The decay of delta [Ca2+] following fibre repolarization at the termination of a depolarizing pulse was well described by a single exponential plus a constant. The exponential rate constant for the decay of delta [Ca2+] decreased and the final 'steady' level that delta [Ca2+] appeared to be approaching increased with increasing amplitude and/or duration of the depolarizing pulse. Both the decreasing decay rate and the build up of the 'steady' level can be accounted for using a two-component model for the removal of free calcium from the myoplasm. One component consists of a set number of a single type of saturable calcium binding site in the myoplasm. The second component is a non-saturable, first-order uptake mechanism operating in parallel with the saturable binding sites. The removal model parameter values were adjusted to fit simultaneously the decay of delta [Ca2+] after pulses of various amplitudes and durations in a given fibre. The basic procedure was to track delta [Ca2+] during each pulse when an undetermined calcium release was occurring, but to calculate the decay of delta [Ca2+] starting 14 ms after repolarization when release was assumed to be negligible. After appropriate selection of parameter values, the model reproduced most aspects of the decay of delta [Ca2+].(ABSTRACT TRUNCATED AT 400 WORDS) PMID:3487641

Metastable Phases of Dross Particles Formed in a Molten Zinc Bath and Prediction of Soluble Aluminum During Galvannealing Processes

NASA Astrophysics Data System (ADS)

Paik, Doo-Jin; Hong, Moon-Hi; Huh, Yoon; Park, Joo Hyun; Chae, Hong-Kook; Park, Seok-Ho; Choun, Si-Youl

2012-06-01

The morphology, chemistry, and crystallographic characteristics of metastable dross particles were identified. These particles are formed during the initial stage of precipitation. The particles had aluminum concentrations of 15 to 80 mass pct, with values that decreased gradually as particle size increased. These metastable dross particles were a mixture of the crystalline phase of FeZn10, which is called the "delta phase," and the high-aluminum amorphous phase, which covered the surface of the crystalline phase. The new "meta Q" concept was proposed to predict the amount of soluble aluminum in the zinc bath by considering nucleation kinetics and particle growth. The results calculated using the "meta Q" concept were compared with the values measured by the aluminum sensor, which were taken during the same period at the commercial galvanizing line. The mean of the absolute values of the differences between the calculated and measured values was 9.7 ppm.

Spectral pathways for exploration of secondary uranium: An investigation in the desertic tracts of Rajasthan and Gujarat, India

NASA Astrophysics Data System (ADS)

Bharti, Rishikesh; Kalimuthu, R.; Ramakrishnan, D.

2015-10-01

This study aims at identifying potential zones of secondary uranium enrichment using hyperspectral remote sensing, γ-ray spectrometry, fluorimetry and geochemical techniques in the western Rajasthan and northern Gujarat, India. The investigated area has suitable source rocks, conducive past-, and present-climate that can facilitate such enrichment. This enrichment process involves extensive weathering of uranium bearing source rocks, leaching of uranyl compounds in groundwater, and their precipitation in chemical deltas along with duricrusts like calcretes and gypcretes. Spatial distribution of groundwater calcretes (that are rich in Mg-calcite) and gypcretes (that are rich in gypsum) along palaeochannels and chemical deltas were mapped using hyperspectral remote sensing data based on spectral absorptions in 1.70 μm, 2.16 μm, 2.21 μm, 2.33 μm, 2.44 μm wavelength regions. Subsequently based on field radiometric survey, zones of U anomalies were identified and samples of duricrusts and groundwater were collected for geochemical analyses. Anomalous concentration of U (2345.7 Bq/kg) and Th (142.3 Bq/kg) are observed in both duricrusts and groundwater (U-1791 μg/l, Th-34 μg/l) within the palaeo-delta and river confluence. The estimated carnotite Solubility Index also indicates the secondary enrichment of U and the likelihood of occurrence of an unconventional deposit.

The remarkable stability of chimeric, sialic acid-derived alpha/delta-peptides in human blood plasma.

PubMed

Saludes, Jonel P; Natarajan, Arutselvan; DeNardo, Sally J; Gervay-Hague, Jacquelyn

2010-05-01

Peptides are labile toward proteolytic enzymes, and structural modifications are often required to prolong their metabolic half-life and increase resistance. One modification is the incorporation of non-alpha-amino acids into the peptide to deter recognition by hydrolytic enzymes. We previously reported the synthesis of chimeric alpha/delta-peptides from glutamic acids (Glu) and the sialic acid derivative Neu2en. Conformational analyses revealed these constructs adopt secondary structures in water and may serve as conformational surrogates of polysialic acid. Polysialic acid is a tumor-associated polysaccharide and is correlated with cancer metastasis. Soluble polysialic acid is rapidly cleared from the blood limiting its potential for vaccine development. One motivation in developing structural surrogates of polysialic acid was to create constructs with increased bioavailability. Here, we report plasma stability profiles of Glu/Neu2en alpha/delta-peptides. DOTA was conjugated at the peptide N-termini by solid phase peptide synthesis, radiolabeled with (111)In, incubated in human blood plasma at 37 degrees C, and their degradation patterns monitored by cellulose acetate electrophoresis and radioactivity counting. Results indicate that these peptides exhibit a long half-life that is two- to three-orders of magnitude higher than natural alpha-peptides. These findings provide a viable platform for the synthesis of plasma stable, sialic acid-derived peptides that may find pharmaceutical application.

QCD structure of nuclear interactions

NASA Astrophysics Data System (ADS)

Granados, Carlos G.

The research presented in this dissertation investigated selected processes involving baryons and nuclei in hard scattering reactions. These processes are characterized by the production of particles with large energies and transverse momenta. Through these processes, this work explored both, the constituent (quark) structure of baryons (specifically nucleons and Delta-Isobars), and the mechanisms through which the interactions between these constituents ultimately control the selected reactions. The first of such reactions is the hard nucleon-nucleon elastic scattering, which was studied here considering the quark exchange between the nucleons to be the dominant mechanism of interaction in the constituent picture. In particular, it was found that an angular asymmetry exhibited by proton-neutron elastic scattering data is explained within this framework if a quark-diquark picture dominates the nucleon's structure instead of a more traditional SU(6) three quarks picture. The latter yields an asymmetry around 90o center of mass scattering with a sign opposite to what is experimentally observed. The second process is the hard breakup by a photon of a nucleon-nucleon system in light nuclei. Proton-proton (pp) and proton-neutron (pn) breakup in 3He, and DeltaDelta-isobars production in deuteron breakup were analyzed in the hard rescattering model (HRM), which in conjunction with the quark interchange mechanism provides a Quantum Chromodynamics (QCD) description of the reaction. Through the HRM, cross sections for both channels in 3He photodisintegration were computed without the need of a fitting parameter. The results presented here for pp breakup show excellent agreement with recent experimental data. In DeltaDelta-isobars production in deuteron breakup, HRM angular distributions for the two DeltaDelta channels were compared to the pn channel and to each other. An important prediction fromthis study is that the Delta++Delta- channel consistently dominates Delta+Delta0, which is in contrast with models that unlike the HRM consider a DeltaDelta system in the initial state of the interaction. For such models both channels should have the same strength. These results are important in developing a QCD description of the atomic nucleus.

Rapeseed Oil as Renewable Resource for Polyol Synthesis

NASA Astrophysics Data System (ADS)

Stirna, Uldis; Fridrihsone, Anda; Misane, Marija; Vilsone, Dzintra

2011-01-01

Vegetable oils are one of the most important platform chemicals due to their accessibility, specific structure of oils and low price. Rapeseed oil (RO) polyols were prepared by amidization of RO with diethanolamine (DEA). To determine the kinetics of amidization reaction, experiments were carried out. Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), amine (NH) value was determined. Group contribution method by Fedor‵s was used to calculate solubility parameters, van der Waals volume was calculated by Askadskii. Obtained polyol‵s OH and NH value are from 304 up to 415 mg KOH/g. RO polyols synthesis meets the criteria of "green chemistry". In the present study, reaction of RO amidization with DEA was investigated, as well as optimum conditions for polyol synthesis was established to obtain polyols for polyurethane production. Calculations of solubility parameter and cohesion energy density were calculated, as RO polyols will be used as side chains in polymers, and solubility parameter will be used to explain properties of polymers.

Ethnic analogies and differences in fetal heart rate variability signal: A retrospective study.

PubMed

Tagliaferri, Salvatore; Esposito, Francesca Giovanna; Fagioli, Rosa; Di Cresce, Marco; Sacchi, Lucia; Signorini, Maria Gabriella; Campanile, Marta; Martinelli, Pasquale; Magenes, Giovanni

2017-02-01

We aimed to analyze computerized cardiotocographic (cCTG) parameters (including fetal heart rate baseline, short-term variability, Delta, long-term irregularity [LTI], interval index [II], low frequency [LF], movement frequency [MF], high frequency [HF], and approximate entropy [ApEn]) in physiological term pregnancies in order to correlate them with ethnic differences. The clinical meaning of numerical parameters may explain physiological or paraphysiological phenomena that occur in fetuses of different ethnic origins. A total of 696 pregnant women, including 384 from Europe, 246 from sub-Saharan Africa, 45 from South-East Asia, and 21 from South America, were monitored from the 37th to the 41st week of gestation. Statistical analysis was performed with the analysis of variance test, Pearson correlation test and receiver-operator curves (P < 0.05). Our results showed statistically significant differences (P < 0.05) between white and black women for Delta, LTI, LF, MF, HF, and ApEn; between white and Asian women for Delta, LTI, MF, and the LF/(HF + MF) ratio; and between white and Latina women for Delta, LTI, and ApEn. In particular, Delta and LTI performed better in the white group than in the black, Asian, and Latina groups. Instead, LF, MF, HF, and ApEn performed better in the black than in the white group. Our results confirmed the integrity and normal functionality of both central and autonomic nervous system components for all fetuses investigated. Therefore, CTG monitoring should include both linear and nonlinear components of fetal heart rate variability in order to avoid misinterpretations of the CTG trace among ethnic groups. © 2016 Japan Society of Obstetrics and Gynecology.

Adolescent Changes in Homeostatic Regulation of EEG Activity in the Delta and Theta Frequency Bands during NREM Sleep

PubMed Central

Campbell, Ian G.; Darchia, Nato; Higgins, Lisa M.; Dykan, Igor V.; Davis, Nicole M.; de Bie, Evan; Feinberg, Irwin

2011-01-01

Study Objectives: Slow wave EEG activity in NREM sleep decreases by more than 60% between ages 10 and 20 years. Slow wave EEG activity also declines across NREM periods (NREMPs) within a night, and this decline is thought to represent the dynamics of sleep homeostasis. We used longitudinal data to determine whether these homeostatic dynamics change across adolescence. Design: All-night sleep EEG was recorded semiannually for 6 years. Setting: EEG was recorded with ambulatory recorders in the subjects' homes. Participants: Sixty-seven subjects in 2 cohorts, one starting at age 9 and one starting at age 12 years. Measurements and Results: For NREM delta (1-4 Hz) and theta (4-8 Hz) EEG, we tested whether the proportion of spectral energy contained in the first NREMP changes with age. We also tested for age changes in the parameters of the process S exponential decline. For both delta and theta, the proportion of energy in the first NREMP declined significantly across ages 9 to 18 years. Process S parameters SWA0 and TWA0, respectively, represent slow wave (delta) activity and theta wave activity at the beginning of the night. SWA0 and TWA0 declined significantly (P < 0.0001) across ages 9 to 18. Conclusions: These declines indicate that the intensity of the homeostatic or restorative processes at the beginning of sleep diminished across adolescence. We propose that this change in sleep regulation is caused by the synaptic pruning that occurs during adolescent brain maturation. Citation: Campbell IG; Darchia N; Higgins LM; Dykan IV; Davis NM; de Bie E; Feinberg I. Adolescent changes in homeostatic regulation of EEG activity in the delta and theta frequency bands during NREM sleep. SLEEP 2011;34(1):83-91. PMID:21203377

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

Wemhoff, A P; Burnham, A K; Nichols III, A L

The reduction of the number of reactions in kinetic models for both the HMX beta-delta phase transition and thermal cookoff provides an attractive alternative to traditional multi-stage kinetic models due to reduced calibration effort requirements. In this study, we use the LLNL code ALE3D to provide calibrated kinetic parameters for a two-reaction bidirectional beta-delta HMX phase transition model based on Sandia Instrumented Thermal Ignition (SITI) and Scaled Thermal Explosion (STEX) temperature history curves, and a Prout-Tompkins cookoff model based on One-Dimensional Time to Explosion (ODTX) data. Results show that the two-reaction bidirectional beta-delta transition model presented here agrees as wellmore » with STEX and SITI temperature history curves as a reversible four-reaction Arrhenius model, yet requires an order of magnitude less computational effort. In addition, a single-reaction Prout-Tompkins model calibrated to ODTX data provides better agreement with ODTX data than a traditional multi-step Arrhenius model, and can contain up to 90% less chemistry-limited time steps for low-temperature ODTX simulations. Manual calibration methods for the Prout-Tompkins kinetics provide much better agreement with ODTX experimental data than parameters derived from Differential Scanning Calorimetry (DSC) measurements at atmospheric pressure. The predicted surface temperature at explosion for STEX cookoff simulations is a weak function of the cookoff model used, and a reduction of up to 15% of chemistry-limited time steps can be achieved by neglecting the beta-delta transition for this type of simulation. Finally, the inclusion of the beta-delta transition model in the overall kinetics model can affect the predicted time to explosion by 1% for the traditional multi-step Arrhenius approach, while up to 11% using a Prout-Tompkins cookoff model.« less

Identification and determination of fat-soluble vitamins and metabolites in human serum by liquid chromatography/triple quadrupole mass spectrometry with multiple reaction monitoring.

PubMed

Priego Capote, Feliciano; Jiménez, José Ruiz; Granados, José María Mata; de Castro, María Dolores Luque

2007-01-01

A method for determination of fat-soluble vitamins K(1), K(3), A, D(2), D(3) and E (as alpha- and delta-tocopherol) and metabolites 25-hydroxyvitamin D(2) and D(3) and 1,25-dihydroxyvitamin D(3) in human serum by liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) in positive mode is proposed. Highly selective identification of the target compounds in serum was confirmed by the most representative transitions from precursor ion to product ion. Quantitative MS/MS analysis was carried out by multiple reaction monitoring optimizing the most sensitive transition for each analyte in order to achieve low detection limits (from 0.012 to 0.3 ng/mL estimated with serum). The analysis was performed with 1 mL of serum, which was subjected to protein precipitation, liquid-liquid extraction to an organic phase, evaporation to dryness and reconstitution with methanol. The precision of the overall method ranged from 3.17-6.76% as intra-day variability and from 5.07-11.53% as inter-day variability. The method, validated by the standard addition method, provides complete information on the fat-soluble vitamins profile, which is of interest in clinical and metabolomics studies.

Remote Sensing and Modeling for Improving Operational Aquatic Plant Management

NASA Technical Reports Server (NTRS)

Bubenheim, Dave

2016-01-01

The California Sacramento-San Joaquin River Delta is the hub for California’s water supply, conveying water from Northern to Southern California agriculture and communities while supporting important ecosystem services, agriculture, and communities in the Delta. Changes in climate, long-term drought, water quality changes, and expansion of invasive aquatic plants threatens ecosystems, impedes ecosystem restoration, and is economically, environmentally, and sociologically detrimental to the San Francisco Bay/California Delta complex. NASA Ames Research Center and the USDA-ARS partnered with the State of California and local governments to develop science-based, adaptive-management strategies for the Sacramento-San Joaquin Delta. The project combines science, operations, and economics related to integrated management scenarios for aquatic weeds to help land and waterway managers make science-informed decisions regarding management and outcomes. The team provides a comprehensive understanding of agricultural and urban land use in the Delta and the major water sheds (San Joaquin/Sacramento) supplying the Delta and interaction with drought and climate impacts on the environment, water quality, and weed growth. The team recommends conservation and modified land-use practices and aids local Delta stakeholders in developing management strategies. New remote sensing tools have been developed to enhance ability to assess conditions, inform decision support tools, and monitor management practices. Science gaps in understanding how native and invasive plants respond to altered environmental conditions are being filled and provide critical biological response parameters for Delta-SWAT simulation modeling. Operational agencies such as the California Department of Boating and Waterways provide testing and act as initial adopter of decision support tools. Methods developed by the project can become routine land and water management tools in complex river delta systems.

Effect of river sediment on phosphorus chemistry of similarly aged natural and created wetlands in the Atchafalaya Delta, Louisiana, USA

USGS Publications Warehouse

Poach, M.E.; Faulkner, S.P.

2007-01-01

The goal of wetland creation is to produce an artificial wetland that functions as a natural wetland. Studies comparing created wetlands to similarly aged natural wetlands provide important information about creation techniques and their improvement so as to attain that goal. We hypothesized that differences in sediment phosphorus accretion, deposition, and chemistry between created and natural wetlands in the Atchafalaya Delta, Louisiana, USA were a function of creation technique and natural river processes. Sediment deposition was determined with feldspar marker horizons located in created and natural wetlands belonging to three age classes (<3, 5-10, and 15-20 yr old). Phosphorus fractions were measured in these deposited sediments and in suspended and bedload sediment from the Atchafalaya River. Bedload sediment had significantly lower iron- and aluminum-bound, reductant-soluble, and total phosphorus than suspended sediment due to its high sand percentage. This result indicates that wetlands artificially created in the Atchafalaya Delta using bedload sediment will initially differ from natural wetlands of the same age. Even so, similarities between the mudflat stratum of the <1- to 3-yr-old created wetland and the mudflat stratum of the 15- to 20-yr-old natural wetland support the contention that created wetlands in the Atchafalaya Delta can develop natural characteristics through the deposition of river suspended sediment. Differences between three created wetland strata, the 15- to 20-yr-old willow stratum and the < 1- to 3-yr-old willow and mixed marsh strata, and their natural counterparts were linked to design elements of the created wetlands that prevented the direct deposition of the river's suspended sediment. ?? ASA, CSSA, SSSA.

Identification of amino acids in the nicotinic acetylcholine receptor agonist binding site and ion channel photolabeled by 4-[(3-trifluoromethyl)-3H-diazirin-3-yl]benzoylcholine, a novel photoaffinity antagonist.

PubMed

Chiara, David C; Trinidad, Jonathan C; Wang, Dong; Ziebell, Michael R; Sullivan, Deirdre; Cohen, Jonathan B

2003-01-21

[(3)H]4-[(3-trifluoromethyl)-3H-diazirin-3-yl]benzoylcholine (TDBzcholine) was synthesized and used as a photoaffinity probe to map the orientation of an aromatic choline ester within the agonist binding sites of the Torpedo nicotinic acetylcholine receptor (nAChR). TDBzcholine acts as a nAChR competitive antagonist that binds at equilibrium with equal affinity to both agonist sites (K(D) approximately 10 microM). Upon UV irradiation (350 nm), nAChR-rich membranes equilibrated with [(3)H]TDBzcholine incorporate (3)H into the alpha, gamma, and delta subunits in an agonist-inhibitable manner. The specific residues labeled by [(3)H]TDBzcholine were determined by N-terminal sequence analysis of subunit fragments produced by enzymatic cleavage and purified by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and/or reversed-phase high-performance liquid chromatography. For the alpha subunit, [(3)H]TDBzcholine photoincorporated into alphaCys-192, alphaCys-193, and alphaPro-194. For the gamma and delta subunits, [(3)H]TDBzcholine incorporated into homologous leucine residues, gammaLeu-109 and deltaLeu-111. The photolabeling of these amino acids suggests that when the antagonist TDBzcholine occupies the agonist binding sites, the Cys-192-193 disulfide and Pro-194 from the alpha subunit Segment C are oriented toward the agonist site and are in proximity to gammaLeu-109/deltaLeu-111 in Segment E, a conclusion consistent with the structure of the binding site in the molluscan acetylcholine binding protein, a soluble protein that is homologous to the nAChR extracellular domain.

Probing the nature of superfluid helium-3 very near its critical temperature

NASA Astrophysics Data System (ADS)

Nishimori, Arito

We have measured with high resolution the static magnetization and NMR frequency shift of bulk superfluid 3He near its critical point. The static magnetization measurements at 31.4 bars and 33.7 bars in the magnetic field of 36.1 mT show that the size of the magnetization change through the A1 region is smaller than 0.1% of the total magnetization in the normal phase. NMR frequency shifts which have the similar |Delta|2 dependency(Delta:order parameter) to that of the magnetization are measured at the melting pressure in magnetic fields from 29.6 mT to 425 mT using a new feedback technique. We find that the frequency shifts agree very well with the mean field calculations based on the spin fluctuation feedback model proposed by Brinkman, Serene and Anderson(BSA) and there is no high temperature tail above T A1 nor smearing of kinks at TA 1 and TA2 originating from critical fluctuations. From the fitting parameters, the Brinkman-Anderson parameter delta averaged over the data in 92.6 mT, 154 mT and 213 mT at the melting pressure is found to be 0.57+/-0.02. We also obtained the widths of the A1 phase at low magnetic fields. Its linear dependence on magnetic field strength is consistent with the mean field calculation.

An application of sedimentation simulation in Tahe oilfield

NASA Astrophysics Data System (ADS)

Tingting, He; Lei, Zhao; Xin, Tan; Dongxu, He

2017-12-01

The braided river delta develops in Triassic low oil formation in the block 9 of Tahe oilfield, but its sedimentation evolution process is unclear. By using sedimentation simulation technology, sedimentation process and distribution of braided river delta are studied based on the geological parameters including sequence stratigraphic division, initial sedimentation environment, relative lake level change and accommodation change, source supply and sedimentary transport pattern. The simulation result shows that the error rate between strata thickness of simulation and actual strata thickness is small, and the single well analysis result of simulation is highly consistent with the actual analysis, which can prove that the model is reliable. The study area belongs to braided river delta retrogradation evolution process, which provides favorable basis for fine reservoir description and prediction.

Kinetics of drug decomposition. Part XXXVI. Stability of 10-(1'-methyl-4'-piperazinylpropyl)-phenothiazine derivatives on the grounds of kinetics of thermal degradation and Hammett equation.

PubMed

Pawelczyk, E; Marciniec, B; Matlak, B

1975-01-01

Thermal degradation of aqueous and buffered solutions of perazine, prochlorperazine, trifluoperazine, thioproperazine, thiethylperazine and butaperazine salts was examined by kinetic method using an accelerated testing of pharmaceutical preparations. The order, rate constants and activation parameters (Q100, E, delta H not equal to, delta S not equal to, delta G not equal to ) of the reaction given were discussed. The predicted stability of the examined derivatives was compared on the grounds of a calculated time t10% and K293 kappa. A dependence between the stability and kind of substituent in the C2 positions was discussed in terms of the Hammett equation.

An experimental investigation on the performance of conical nozzles for argon cluster formation in supersonic jets.

PubMed

Lu, Haiyang; Ni, Guoquan; Li, Ruxin; Xu, Zhizhan

2010-03-28

This work intends to get a better understanding of cluster formation in supersonic nozzles of different geometries. The throat diameters d are within 0.26 mm < or = d < or = 0.62 mm, the half-opening-angle alpha within 4.2 degrees < or = alpha < or = 11.3 degrees, and the length L of the conical section is 17.5 mm (eight nozzles) or 12 mm (two nozzles). Thus the so-called "equivalent sonic-nozzle diameter d(eq)" for these conical nozzle geometries, defined by d(eq)=0.74 d/tan alpha (for monatomic gases), is in the range of 1.59 mm < or = d(eq) < or = 5.21 mm. Source temperature for the clustering experiments was T(0)=298 K, and the backing pressure P(0) was between 0.5 and 30 bars. The (average) cluster sizes observed for these conical nozzles deviate from the predictions of the simple stream-tube-model. These deviations are accounted for by introducing the so-called "effective equivalent sonic-nozzle diameter d(eq)*," defined as the product of the equivalent sonic-nozzle diameter d(eq) and a new parameter delta, d(eq)*=deltad(eq). The parameter delta serves to modify the equivalent diameters d(eq) of the conical nozzles, which are applied in the idealized cases where the gas flows are suggested to be formed through free jet expansion. Then, delta represents the deviation of the performance in cluster formation of the practical conical nozzles from those predicted based on the idealized picture. The experimental results show that the values of delta can be described by an empirical formula, depending on the gas backing pressure P(0) and the parameter d(eq) of the conical nozzles. The degradation of the performance of the present conical nozzles was found with the increase in P(0) and the larger d(eq). It was revealed that delta is inversely proportional to a fractional power (approximately 0.5-0.6) of the molecular density n(mol) in the gas flows under the present experimental conditions. The boundary layers effects are considered to be mainly responsible for the restriction of the performance of the conical nozzles in cluster formation.

Driving forces and the influence of the buffer composition on the complexation reaction between ibuprofen and HPCD.

PubMed

Perlovich, German L; Skar, Merete; Bauer-Brandl, Annette

2003-10-01

Cyclodextrins are often used in order to increase the aqueous solubility of drug substances by complexation. In order to investigate the complexation reaction of ibuprofen and hydroxypropyl-beta-cyclodextrin, titration calorimetry was used as a direct method. The thermodynamic parameters of the complexation process (stability constant, K(11); complexation enthalpy, deltaH(c) degrees ) were obtained in two different buffer systems (citric acid/sodium-phosphate and phosphoric acid) at various pH values. Based on these data the relative contributions of the enthalpic and entropic terms of the Gibbs energy to the complexation process have been analyzed. In both buffers the enthalpic and entropic terms are of different sign and this case corresponds to a 'nonclassical' model of hydrophobic interaction. In citric buffer, the main driving force of complexation is the entropy, which increases from 60 to 67% while the pH of the solution increases from 3.2 to 8.0. However, for the phosphoric buffer the entropic term decreases from 60 to 45%, while the pH-value of the solution increases from 5.0 to 8.2, and the driving force of the complexation process changes from entropy to enthalpy. The experimental data of the present study are compared to results of other authors and discrepancies discussed in detail.

Modification of HTPB-based polyurethane with temperature-sensitive poly(N-isopropyl acrylamide) for biomaterial usage.

PubMed

Yang, Jen Ming; Yang, Shu Jyuan; Lin, Hao Tzu; Chen, Jan Kan

2007-01-01

Hydroxyl-terminated polybutadiene (HTPB)-based polyurethane with dimethyol propionic acid (DPA) as chain extender was synthesized by solution polymerization. The HTPB-based polyurethane was modified by UV radiation with N-isopropyl acrylamide monomer to get poly(N-isopropyl acrylamide)-modified polyurethane (PUDPANIPAAm). The cohesive energy (E(coh)), molar volume (V), solubility parameter (delta), molecular weight (W(M)), volume per gram (V(g)), and the density (1/V(g)) of PUDPANIPAAm were calculated by group contribution methods. To evaluate the application of PUDPANIPAAm for wound dressing and transplantation of cell sheet, the measurement of water content, water vapor transmission rate, and gas permeation on the PUDPANIPAAm membrane was evaluated. The biocompatibility of these membranes, cell adhesion, and proliferation assay were conducted in the cell culture. The effect of thermosensitivity of poly(N-isopropyl acrylamide) on cell detachment was also evaluated in the primary study. The results showed that these PUDPANIPAAm membranes are thermosensitive. The modification of PU with poly(N-isopropyl acrylamide) reduced the water vapor transmission rate and permeability of gas through PUDPANIPAAm membrane. PUDPANIPAAm membranes could support cell adhesion and growth. Owing to the thermosensitive nature of poly(N-isopropyl acrylamide), the relative cell numbers detached from PUDPANIPAAm membranes were larger than those detached from the polystyrene dish. 2006 Wiley Periodicals, Inc.

Drug Solubility: Importance and Enhancement Techniques

PubMed Central

Savjani, Ketan T.; Gajjar, Anuradha K.; Savjani, Jignasa K.

2012-01-01

Solubility, the phenomenon of dissolution of solute in solvent to give a homogenous system, is one of the important parameters to achieve desired concentration of drug in systemic circulation for desired (anticipated) pharmacological response. Low aqueous solubility is the major problem encountered with formulation development of new chemical entities as well as for the generic development. More than 40% NCEs (new chemical entities) developed in pharmaceutical industry are practically insoluble in water. Solubility is a major challenge for formulation scientist. Any drug to be absorbed must be present in the form of solution at the site of absorption. Various techniques are used for the enhancement of the solubility of poorly soluble drugs which include physical and chemical modifications of drug and other methods like particle size reduction, crystal engineering, salt formation, solid dispersion, use of surfactant, complexation, and so forth. Selection of solubility improving method depends on drug property, site of absorption, and required dosage form characteristics. PMID:22830056

Thermodynamic Study of Solid-Liquid Equilibrium in NaCl-NaBr-H2O System at 288.15 K

NASA Astrophysics Data System (ADS)

Li, Dan; Meng, Ling-zong; Deng, Tian-long; Guo, Ya-fei; Fu, Qing-Tao

2018-06-01

The solubility data, composition of the solid solution and refractive indices of the NaCl-NaBr-H2O system at 288.15 K were studied with the isothermal equilibrium dissolution method. The solubility diagram and refractive index diagram of this system were plotted at 288.15 K. The solubility diagram consists of two crystallization zones for solid solution Na(Cl,Br) · 2H2O and Na(Cl,Br), one invariant points cosaturated with two solid solution and two univariant solubility isothermal curves. On the basis of Pitzer and Harvie-Weare (HW) chemical models, the composition equations and solubility equilibrium constant equations of the solid solutions at 288.15 K were acquired using the solubility data, the composition of solid solutions, and binary Pitzer parameters. The solubilities calculated using the new method combining the equations are in good agreement with the experimental data.

Solubility of Naproxen in Polyethylene Glycol 200 + Water Mixtures at Various Temperatures

PubMed Central

Panahi-Azar, Vahid; Soltanpour, Shahla; Martinez, Fleming; Jouyban, Abolghasem

2015-01-01

The solubility of naproxen in binary mixtures of polyethylene glycol 200 (PEG 200) + water at the temperature range from 298.0 K to 318.0 K were reported. The combinations of Jouyban-Acree model + van’t Hoff and Jouyban-Acree model + partial solubility parameters were used to predict the solubility of naproxen in PEG 200 + water mixtures at different temperatures. Combination of Jouyban-Acree model with van’t Hoff equation can be used to predict solubility in PEG 200 + water with only four solubility data in mono-solvents. The obtained solubility calculation errors vary from ~ 17 % up to 35 % depend on the number of required input data. Non-linear enthalpy-entropy compensation was found for naproxen in the investigated solvent system and the Jouyban−Acree model provides reasonably accurate mathematical descriptions of the thermodynamic data of naproxen in the investigated binary solvent systems. PMID:26664370

Solubility of gases and liquids in glassy polymers.

PubMed

De Angelis, Maria Grazia; Sarti, Giulio C

2011-01-01

This review discusses a macroscopic thermodynamic procedure to calculate the solubility of gases, vapors, and liquids in glassy polymers that is based on the general procedure provided by the nonequilibrium thermodynamics for glassy polymers (NET-GP) method. Several examples are presented using various nonequilibrium (NE) models including lattice fluid (NELF), statistical associating fluid theory (NE-SAFT), and perturbed hard sphere chain (NE-PHSC). Particular applications illustrate the calculation of infinite-dilution solubility coefficients in different glassy polymers and the prediction of solubility isotherms for different gases and vapors in pure polymers as well as in polymer blends. The determination of model parameters is discussed, and the predictive abilities of the models are illustrated. Attention is also given to the solubility of gas mixtures and solubility isotherms in nanocomposite mixed matrices. The fractional free volume determined from solubility data can be used to correlate solute diffusivities in mixed matrices.

Preliminary evaluation of in vitro cytotoxicity and in vivo antitumor activity of Xanthium strumarium in transplantable tumors in mice.

PubMed

Aranjani, Jesil Mathew; Manuel, Atulya; Mallikarjuna Rao, Chamallamudi; Udupa, Nayanabhirama; Rao, Josyula Venkata; Joy, Ann Mary; Gandhi, Prajay; Radhakrishnan, Ethiraj Kannat

2013-01-01

In the present study, active fractions of the methanolic extract of Xanthium strumarium (XS) showing potent cytotoxicity were determined using microculture tetrazolium (MTT) and sulforhodamine B (SRB) assays in selected cancer cell lines. The active fractions viz., chloroform soluble fraction of root (CEXSR), hexane soluble fraction of leaf (HEXSL), hexane soluble fraction of fruits (HEXSF) and chloroform soluble fraction of fruits (CEXSF) of XS were tested in transplantable animal tumor models for their antitumor potential. Dalton's ascitic lymphoma (DLA) cells were used to induce solid and liquid (ascites) tumor in mice. The tumor bearing animals were treated with active fractions at two dose levels (100 and 200 mg/kg). The antitumor activities of the active fractions in tumor bearing animals were monitored with parameters such as body weight and increase in life-span as well as biochemical and hematological modalities (in the case of liquid tumor). Tumor incidence and tumor volume were the parameters monitored in the case of the solid tumor model. The results were analyzed by one-way ANOVA followed by Tukey's post hoc test. The extracts were found to increase the life-span of tumor bearing animals and restore the altered hematological and biochemical parameters significantly.

Computer simulation of the last support phase of the long jump.

PubMed

Chow, John W; Hay, James G

2005-01-01

The purpose was to examine the interacting roles played by the approach velocity, the explosive strength (represented by vertical ground reaction force [VGRF]), and the change in angular momentum about a transverse axis through the jumper's center of mass (deltaHzz) during the last support phase of the long jump, using a computer simulation technique. A two-dimensional inverted-pendulum-plus-foot segment model was developed to simulate the last support phase. Using a reference jump derived from a jump performance reported in the literature, the effects of varying individual parameters were studied using sensitivity analyses. In each sensitivity analysis, the kinematic characteristics of the longest jumps with the deltaHzz considered and not considered when the parameter of interest was altered were noted. A sensitivity analysis examining the influence of altering both approach velocity and VGRF at the same time was also conducted. The major findings were that 1) the jump distance was more sensitive to changes in approach velocity (e.g., a 10% increase yielded a 10.0% increase in jump distance) than to changes in the VGRF (e.g., a 10% increase yielded a 7.2% increase in jump distance); 2) the relatively large change in jump distance when both the approach velocity and VGRF were altered (e.g., a 10% increase in both parameters yielded a 20.4% increase in jump distance), suggesting that these two parameters are not independent factors in determining the jump distance; and 3) the jump distance was overestimated if the deltaHzz was not considered in the analysis.

A new algorithm and system for the characterization of handwriting strokes with delta-lognormal parameters.

PubMed

Djioua, Moussa; Plamondon, Réjean

2009-11-01

In this paper, we present a new analytical method for estimating the parameters of Delta-Lognormal functions and characterizing handwriting strokes. According to the Kinematic Theory of rapid human movements, these parameters contain information on both the motor commands and the timing properties of a neuromuscular system. The new algorithm, called XZERO, exploits relationships between the zero crossings of the first and second time derivatives of a lognormal function and its four basic parameters. The methodology is described and then evaluated under various testing conditions. The new tool allows a greater variety of stroke patterns to be processed automatically. Furthermore, for the first time, the extraction accuracy is quantified empirically, taking advantage of the exponential relationships that link the dispersion of the extraction errors with its signal-to-noise ratio. A new extraction system which combines this algorithm with two other previously published methods is also described and evaluated. This system provides researchers involved in various domains of pattern analysis and artificial intelligence with new tools for the basic study of single strokes as primitives for understanding rapid human movements.

Superinsulating Polyisocyanate Based Aerogels: A Targeted Search for the Optimum Solvent System.

PubMed

Zhu, Zhiyuan; Snellings, Geert M B F; Koebel, Matthias M; Malfait, Wim J

2017-05-31

Polyisocyanate based aerogels combine ultralow thermal conductivities with better mechanical properties than silica aerogel, but these properties critically depend on the nature of the gelation solvent, perhaps more so than on any other parameter. Here, we present a systematic study of the relationship between the polyurethane-polyisocyanurate (PUR-PIR) aerogel microstructure, surface area, thermal conductivity, and density and the gelation solvent's Hansen solubility parameters for an industrially relevant PUR-PIR rigid foam formulation. We first investigated aerogels prepared in acetone-dimethyl sulfoxide (DMSO) blends and observed a minimum in thermal conductivity (λ) and maximum in specific surface area for an acetone:DMSO ratio of 85:15 v/v. We then prepared PUR-PIR aerogels in 32 different solvent blends, divided into three series with δ Dispersion , δ Polarity , and δ H-bonding fixed at 15.94, 11.30, and 7.48 MPa 1/2 , respectively, corresponding to the optimum parameters for the acetone:DMSO series. The aerogel properties display distinct dependencies on the various solubility parameters: aerogels with low thermal conductivity can be synthesized in solvents with a high δ H-bonding parameter (above 7.2) and δ Dispersion around 16.3 MPa 1/2 . In contrast, the δ Polarity parameter is of lesser importance. Our study highlights the importance of the gelation solvent, clarifies the influence of the different solvent properties, and provides a methodology for a targeted search across the solvent chemical space based on the Hansen solubility parameters.

Acute systemic and renal hemodynamic effects of meglumine/sodium diatrizoate 76% and iopamidol in euvolemic and dehydrated dogs.

PubMed

Katzberg, R W; Morris, T W; Lasser, E C; DiMarco, P L; Merguerian, P A; Ventura, J A; Pabico, R C; McKenna, B A

1986-10-01

We examined the acute systemic and renal hemodynamic effects of intravenous meglumine/sodium diatrizoate-76% and iopamidol in euvolemic and dehydrated dogs. The physiologic responses were compared with acute changes in the level of an endogenous heparin-like material (EHM). One of eight dehydrated dogs receiving diatrizoate (2 ml/kg) had an immediate vomiting reflex associated with a very significant decline in all measured renal hemodynamic parameters; none of eight dehydrated dogs receiving iopamidol experienced a similar reaction. EHM levels did not correspond to the magnitude of the physiologic responses following either iopamidol or diatrizoate. Significant differences between iopamidol and diatrizoate were noted when comparing the magnitude of the decrease in systemic pressure (- delta 3.8 +/- 3.02, iopamidol, n = 8; vs. - delta 19.4 +/- 7.3 mm Hg, diatrizoate, n = 8; P less than .03), increased renal plasma flow (+ delta 6.2 +/- 4.9, iopamidol, n = 8; vs. + delta 33.7 +/- 8.0 ml/min, diatrizoate, n = 8; P less than .05), and decreased filtration fraction (- delta 0.09 +/- 0.01, iopamidol, n = 8; vs. - delta 0.14 +/- 0.02, diatrizoate, n = 8; P less than .03). There was no significant difference in the decrease in glomerular filtration rate (- delta 7.4 +/- 1.0, iopamidol, n = 8; vs. - delta 9.3 +/- 1.3, diatrizoate, n = 8; P greater than .05), since the marked drop in filtration fraction occurring with diatrizoate was counterbalanced by the marked increase in renal plasma flow. Acute systemic and renal hemodynamic effects are significantly lessened when comparing iopamidol with diatrizoate.

Noncommutative QED+QCD and the {beta} function for QED

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

Ettefaghi, M. M.; Haghighat, M.; Mohammadi, R.

2010-11-15

QED based on {theta}-unexpanded noncomutative space-time in contrast with the noncommutative QED based on {theta}-expanded U(1) gauge theory via the Seiberg-Witten map is one-loop renormalizable. Meanwhile it suffers from asymptotic freedom that is not in agreement with the experiment. We show that the QED part of the U{sub *}(3)xU{sub *}(1) gauge group as an appropriate gauge group for the noncommutative QED+QCD is not only one-loop renormalizable but also has a {beta} function that can be positive, negative and even zero. In fact the {beta} function depends on the mixing parameter {delta}{sub 13} as a free parameter and it will bemore » equal to its counterpart in the ordinary QED for {delta}{sub 13}=0.367{pi}.« less

Comparing and Correlating Solubility Parameters Governing the Self-Assembly of Molecular Gels Using 1,3:2,4-Dibenzylidene Sorbitol as the Gelator

PubMed Central

2014-01-01

Solvent properties play a central role in mediating the aggregation and self-assembly of molecular gelators and their growth into fibers. Numerous attempts have been made to correlate the solubility parameters of solvents and gelation abilities of molecular gelators, but a comprehensive comparison of the most important parameters has yet to appear. Here, the degree to which partition coefficients (log P), Henry’s law constants (HLC), dipole moments, static relative permittivities (εr), solvatochromic ET(30) parameters, Kamlet–Taft parameters (β, α, and π), Catalan’s solvatochromic parameters (SPP, SB, and SA), Hildebrand solubility parameters (δi), and Hansen solubility parameters (δp, δd, δh) and the associated Hansen distance (Rij) of 62 solvents (covering a wide range of properties) can be correlated with the self-assembly and gelation of 1,3:2,4-dibenzylidene sorbitol (DBS) gelation, a classic molecular gelator, is assessed systematically. The approach presented describes the basis for each of the parameters and how it can be applied. As such, it is an instructional blueprint for how to assess the appropriate type of solvent parameter for use with other molecular gelators as well as with molecules forming other types of self-assembled materials. The results also reveal several important insights into the factors favoring the gelation of solvents by DBS. The ability of a solvent to accept or donate a hydrogen bond is much more important than solvent polarity in determining whether mixtures with DBS become solutions, clear gels, or opaque gels. Thermodynamically derived parameters could not be correlated to the physical properties of the molecular gels unless they were dissected into their individual HSPs. The DBS solvent phases tend to cluster in regions of Hansen space and are highly influenced by the hydrogen-bonding HSP, δh. It is also found that the fate of this molecular gelator, unlike that of polymers, is influenced not only by the magnitude of the distance between the HSPs for DBS and the HSPs of the solvent, Rij, but also by the directionality of Rij: if the solvent has a larger hydrogen-bonding HSP (indicating stronger H-bonding) than that of the DBS, then clear gels are formed; opaque gels form when the solvent has a lower δh than does DBS. PMID:24849281

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

PubMed

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

2014-12-02

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

Hansen solubility parameters (HSP) for prescreening formulation of solid lipid nanoparticles (SLN): in vitro testing of curcumin-loaded SLN in MCF-7 and BT-474 cell lines.

PubMed

Doktorovova, Slavomira; Souto, Eliana B; Silva, Amélia M

2018-01-01

Curcumin, a phenolic compound from turmeric rhizome (Curcuma longa), has many interesting pharmacological effects, but shows very low aqueous solubility. Consequently, several drug delivery systems based on polymeric and lipid raw materials have been proposed to increase its bioavailability. Solid lipid nanoparticles (SLN), consisting of solid lipid matrix and a surfactant layer can load poorly water-soluble drugs, such as curcumin, deliver them at defined rates and enhance their intracellular uptake. In the present work, we demonstrate that, despite the drug's affinity to lipids frequently used in SLN production, the curcumin amount loaded in most SLN formulations may be too low to exhibit anticancer properties. The predictive curcumin solubility in solid lipids has been thoroughly analyzed by Hansen solubility parameters, in parallel with the lipid-screening solubility tests for a range of selected lipids. We identified the most suitable lipid materials for curcumin-loaded SLN, producing physicochemically stable particles with high encapsulation efficiency (>90%). Loading capacity of curcumin in SLN allowed preventing the cellular damage caused by cationic SLN on MCF-7 and BT-474 cells but was not sufficient to exhibit drug's anticancer properties. But curcumin-loaded SLN exhibited antioxidant properties, substantiating the conclusions that curcumin's effect in cancer cells is highly dose dependent.

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

EPA Science Inventory

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

Prediction the concentration of graphite direct exfoliation by liquid solution with solubility parameters map

NASA Astrophysics Data System (ADS)

Liang, Ko-Yuan; Yang, Wein-Duo

2018-01-01

This study is to discuss solvent selection with graphene dispersion concentration of directly exfoliation graphite. That limiting boundaries of fractional cohesion parameters will be draw on the triangular diagram to prediction and estimate. It is based on the literature of data and check with experimental or other literature results, include organic solution, aqueous solution and ionic liquid. In this work, we found that estimated the graphene dispersion concentration by distance (Ra) of Hansen solubility parameters (HSP) between graphene and solvent, the lower Ra; the higher concentration, some case the lower Ra; the lower dispersion concentration (such as acetone). It is compatible with the graphene dispersion concentration on the Hansen space or Triangular fractional cohesion parameters dispersion diagram. From Triangular fractional cohesion parameters dispersion diagram, 2D maps are more convenient for researchers than 3D maps of Hansen space and quickly to find the appropriate combination of solvents for different application.

Steroids and triterpenes from the fruit bodies of Ganoderma lucidum and their anti-complement activity.

PubMed

Seo, Hyo Won; Hung, Tran Manh; Na, MinKyun; Jung, Hyun Ju; Kim, Jin Cheol; Choi, Jae Sue; Kim, Jung Hee; Lee, Hyeong-Kyu; Lee, IkSoo; Bae, KiHwan; Hattori, Masao; Min, Byung Sun

2009-11-01

To determine the anti-complement activity of natural triterpenes, chromatographic separation of the EtOAc-soluble fraction from the fruiting body of Ganoderma lucidum led to the isolation of three steroids and five triterpenoids. They were identified as ergosterol peroxide (1), ergosterol (2), genoderic acid Sz (3), stella sterol (4), ganoderic aic C1 (5), ganoderic acid A (6), methyl ganoderate A (7), and lucidenic acid A (8) based on spectroscopic evidence and physicochemical properties. These compounds were examined for their anti-complement activity against the classical pathway of the complement system. Compounds 2 and 3 showed potent anti-complement activity with IC50 values of 52.0 and 44.6 microM, respectively. Compound 1 exhibited significant inhibitory activity with an IC50 value of 126.8 microM, whereas compounds 4-8 were inactive. Our findings suggested that in addition to the ketone group at C-3, the delta7(8), delta9(11)-lanostadiene type triterpene also plays an important role in inhibiting the hemolytic activity of human serum against erythrocytes.

[Can the scattering of differences from the target refraction be avoided?].

PubMed

Janknecht, P

2008-10-01

We wanted to check how the stochastic error is affected by two lens formulae. The power of the intraocular lens was calculated using the SRK-II formula and the Haigis formula after eye length measurement with ultrasound and the IOL Master. Both lens formulae were partially derived and Gauss error analysis was used for examination of the propagated error. 61 patients with a mean age of 73.8 years were analysed. The postoperative refraction differed from the calculated refraction after ultrasound biometry using the SRK-II formula by 0.05 D (-1.56 to + 1.31, S. D.: 0.59 D; 92 % within +/- 1.0 D), after IOL Master biometry using the SRK-II formula by -0.15 D (-1.18 to + 1.25, S. D.: 0.52 D; 97 % within +/- 1.0 D), and after IOL Master biometry using the Haigis formula by -0.11 D (-1.14 to + 1.14, S. D.: 0.48 D; 95 % within +/- 1.0 D). The results did not differ from one another. The propagated error of the Haigis formula can be calculated according to DeltaP = square root (deltaL x (-4.206))(2) + (deltaVK x 0.9496)(2) + (DeltaDC x (-1.4950))(2). (DeltaL: error measuring axial length, DeltaVK error measuring anterior chamber depth, DeltaDC error measuring corneal power), the propagated error of the SRK-II formula according to DeltaP = square root (DeltaL x (-2.5))(2) + (DeltaDC x (-0.9))(2). The propagated error of the Haigis formula is always larger than the propagated error of the SRK-II formula. Scattering of the postoperative difference from the expected refraction cannot be avoided completely. It is possible to limit the systematic error by developing complicated formulae like the Haigis formula. However, increasing the number of parameters which need to be measured increases the dispersion of the calculated postoperative refraction. A compromise has to be found, and therefore the SRK-II formula is not outdated.

Microwave Spectrum, Structure, and Nuclear Quadrupole Coupling Constants of 1-Bromo-1-fluoroethane.

PubMed

Tatamitani; Kuwano; Fuchigami; Oe; Ogata

1999-08-01

The microwave spectrum of 1-bromo-1-fluoroethane, CHBrF-CH(3) and CHBrF-CH(2)D ((79/81)Br), has been studied for the first time from 8 to 41 GHz. A least-squares analysis of the observed a- and b-type transition frequencies gave rotational and centrifugal distortion constants and components of the bromine nuclear quadrupole coupling constant tensor in the principal axes system as follows: A = 8979.428(5) MHz, B = 2883.898(3) MHz, C = 2310.535(3) MHz, Delta(J) = 0.74(2) kHz, Delta(JK) = 2.49(3) kHz, Delta(K) = 5.3(5) kHz, delta(J) = 0.146(1) kHz, delta(K) = 2.75(4) kHz, chi(aa) = 493.49(29) MHz, chi(bb) - chi(cc) = -38.89(11) MHz, and ||chi(ab) || = 161.8(28) MHz for the CH(79)BrF-CH(3) species; A = 8979.257(5) MHz, B = 2859.072(3) MHz, C = 2294.572(3), Delta(J) = 0.76(2) kHz, Delta(JK) = 2.51(3) kHz, Delta(K) = 4.5(4) kHz, delta(J) = 0.145(1) kHz, delta(K) = 2.70(4) kHz, chi(aa) = 412.42(27) MHz, chi(bb) - chi(cc) = -32.56 (11) MHz, and ||chi(ab) || = 133.3(3) MHz for the CH(81)BrF-CH(3) species. The structural parameters are calculated from the 24 observed rotational constants, and electronic properties of the carbon-bromine bond in 1-bromo-1-fluoroethane are evaluated from the observed nuclear quadrupole coupling constants. These molecular properties are compared with those of other related molecules. The molecular structure of 1-bromo-1-fluoroethane is found to be very close to that of 1,1-difluoroethane except for the C-Br bond. Copyright 1999 Academic Press.

Natural abundance (25)Mg solid-state NMR of mg oxyanion systems: a combined experimental and computational study.

PubMed

Cahill, Lindsay S; Hanna, John V; Wong, Alan; Freitas, Jair C C; Yates, Jonathan R; Harris, Robin K; Smith, Mark E

2009-09-28

Solid-state (25)Mg magic angle spinning nuclear magnetic resonance (MAS NMR) data are reported from a range of organic and inorganic magnesium-oxyanion compounds at natural abundance. To constrain the determination of the NMR interaction parameters (delta(iso), chi(Q), eta(Q)) data have been collected at three external magnetic fields (11.7, 14.1 and 18.8 T). Corresponding NMR parameters have also been calculated by using density functional theory (DFT) methods using the GIPAW approach, with good correlations being established between experimental and calculated values of both chi(Q) and delta(iso). These correlations demonstrate that the (25)Mg NMR parameters are very sensitive to the structure, with small changes in the local Mg(2+) environment and the overall hydration state profoundly affecting the observed spectra. The observations suggest that (25)Mg NMR spectroscopy is a potentially potent probe for addressing some key problems in inorganic materials and of metal centres in biologically relevant molecules.

Spectroscopic, and thermal studies of some new binuclear transition metal(II) complexes with hydrazone ligands containing acetoacetanilide and isoxazole.

PubMed

Chen, Zhimin; Wu, Yiqun; Gu, Donghong; Gan, Fuxi

2007-11-01

A new chelating ligand, 2-(2-(5-tert-butylisoxazol-3-yl)hydrazono)-N-(2,4-dimethylphenyl)-3-oxobutanamide (HL), and its four binuclear transition metal complexes, M(2)(L)(2) (micro-OCH(3))(2) [M=Ni(II), Co(II), Cu(II), Zn(II)], were synthesized using the procedure of diazotization, coupling and metallization. Their structures were postulated based on elemental analysis, (1)H NMR, MALDI-MS, FT-IR spectra and UV-vis electronic absorption spectra. Smooth films of these complexes on K9 glass substrates were prepared using the spin-coating method and their absorption properties were evaluated. The thermal properties of the metal(II) complexes were investigated by thermogravimetry (TG) and differential scanning calorimetry (DSC). Different thermodynamic and kinetic parameters namely activation energy (E*), enthalpy of activation (DeltaH*), entropy of activation (DeltaS*) and free energy change of activation (DeltaG*) are calculated using Coats-Redfern (CR) equation.

Strain Profiling of Fatigue Crack Overload Effects Using Energy Dispersive X-Ray Diffraction

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

Croft,M.; Zhong, Z.; Jisrawi, N.

In this paper, an assessment of commonly used assumptions associated with {Delta}K{sub eff} and their implications on FCG predictions in light of existing experimental and numerical data is presented. In particular, the following assumptions are examined: (1). {Delta}K{sub eff} fully describes cyclic stresses and strains at the crack-tip vicinity. (2). K{sub op} can be determined experimentally or numerically with certain accuracy. (3). Overload alters K{sub op} but not K{sub max} and associated s{sub max} at the crack-tip 'process zone'. (4). Contact of crack faces curtails the crack driving force in terms of {Delta}K{sub eff}. The analysis indicates that there ismore » insufficient support to justify the above assumptions. In contrary, the analysis demonstrates that a two-parameter fatigue crack driving force in terms of {Delta}K and K{sub max}, which accounts for both applied and the internal stresses should be used in FCG analyses and predictions.« less

Kinetics and Thermochemistry of ClCO Formation from the Cl + CO Association Reaction

NASA Technical Reports Server (NTRS)

Nicovich, J. M.; Kreutter, K. D.; Wine, P. H.

1997-01-01

Laser flash photolysis of Cl2/CO/M mixtures (M = N2, CO, Ar, CO2) has been employed in conjunction with Cl((sup 2)P(sub J)) detection by time-resolved resonance fluorescence spectroscopy to investigate equilibration kinetics in the reactions Cl((sup 2)P(sub J)) + CO ClCO as a function of temperature (185-260 K) and pressure (14-200 Torr). The association and dissociation reactions are found to be in the low-pressure limit over the range of experimental conditions investigated. In N2 and/or CO buffer gases, the temperature dependences of the ClCO formation and dissociation reaction rate constants are described by the Arrhenius expressions k(sub 1) = (1.05 +/- 0.36) x 10(exp -34) exp[(810 +/- 70)/T] cm(exp 6)/molecules(exp 2).s and k(sub -1) = (4.1 +/- 3.1) x 10(exp -10) exp[(-2960 +/- 60)/T]cu cm/(molecule.s) (errors are 2 sigma). Second- and third-law analyses of the temperature dependence of the equilbrium constant (k/k-1) lead to the following thermodynamic parameters for the association reaction: Delta-H(sub 298) = -7.7 +/- 0.6 kcal/mol, Delta-H(sub 0) = -6.9 +/- 0.7 kcal/mol, Delta-S(sub 298) = -23.8 +/- 2.0 cal/mole.K, Delta-H(sub f,298)(ClCO) = 5.2 +/- 0.6 kcal/mol (errors are 2 sigma). The results repported in this study significantly reduce the uncertainties in all reported kinetic and thermodynamic parameters.

Complexation equilibria and coordination aspects of Zn(II) complexes contain 2-aminobenzamide and some bioactive amino acid mixed ligands: pH-metric, spectroscopic and thermodynamic studies.

PubMed

Dharmaraja, Jeyaprakash; Subbaraj, Paramasivam; Esakkidurai, Thirugnanasamy; Shobana, Sutha; Raji, Saravanan

2014-01-01

Mixed ligand complexation of 2-aminobenzamide (2AB) as ligand [L] with Zn(II) in the presence of some bio-relevant amino acid constituents like glycine (gly), L-alanine (ala), L-valine (val) and L-phenylalanine (phe) as ligand [B] have been investigated using pH-metric measurements with a combined pH electrode at different temperatures (300, 310, 320 and 330 ± 0.1 K) in 50% (v/v) ethanol-water mixture containing I = 0.15 M NaClO(4) as supporting electrolyte. Computer assisted analysis of the experimental titration data showed the presence of ZnLB and ZnLB2 species as mixed ligand complexes in addition to various binary species. In ZnLB/ZnLB(2) species, both primary and secondary ligands act as bidentate to form a stable six, five membered chelate ring. The calculated stabilization parameter Deltalog K, log X, log X' and % R.S. values clearly show the mixed ligand complexes have higher stabilities than their binary. Thermodynamic parameters DeltaG, DeltaH and DeltaS have been derived from the temperature dependence of the stability constants. The complexation behavior of ZnLB species has been studied by means of electronic spectra. The percentage distribution of various binary and mixed ligand species of each type of the complexes in solution depending on pH and the ratio of Zn(II) to 2-aminobenzamide/amino acid of the systems.

Effects of vehicles and prodrug properties and their interactions on the delivery of 6-mercaptopurine through skin: S6-acyloxymethyl-6-mercaptopurine prodrugs.

PubMed

Waranis, R P; Sloan, K B

1988-03-01

A homologous series of S6-acyloxymethyl-6-mercaptopurine (6-mono-6-MP) and two 9-acyloxymethyl-6-mercaptopurine (9-mono-6-MP) prodrugs have been synthesized and characterized. The ability of the 6-mono-6-MP prodrugs to deliver 6-mercaptopurine (6-MP) through hairless mouse skin from isopropyl myristate (IPM) and propylene glycol (PG) has been evaluated. There was a good correlation between the log experimental permeability coefficients from the diffusion data and calculated solubility parameters of the prodrugs. Although there was no statistical difference between the rates of delivery of 6-MP by the acetyl through valeryl 6-mono-6-MP prodrugs from IPM, the butyryl and valeryl prodrugs were significantly better at delivering 6-MP from PG. For a given solubility parameter value, the 6-mono-6-MP prodrugs were less soluble in water and IPM, and more soluble in PG than the previously studied S6,9-bisacyloxymethyl-6-MP (6,9-bis-6-MP) prodrugs. On the other hand, for a given solubility parameter, the 6,9-bis-6-MP prodrugs were generally more effective at delivering 6-MP from IPM and PG. The single 9-mono-6-MP prodrug that was evaluated was much less effective at delivering 6-MP than either the 6-mono- or 6,9-bis-6-MP prodrugs. Thus, it is much less important to mask the imidazole than the thionamide functional group in 6-MP to enhance the topical delivery of 6-MP using a prodrug approach.

Biophysical basis of growth promotion in primary leaves of Phaseolus vulgaris L. by hormones versus light: solute accumulation and the growth potential

NASA Technical Reports Server (NTRS)

Brock, T. G.; Cleland, R. E.

1990-01-01

Rapid cell enlargement in primary leaves of bean is induced by bright white light (WL), gibberellic acid (GA3) or the cytokinin N6-benzyladenine (BA). In previous studies it has been show that all three agents cause an increase in wall extensibility, although by different mechanisms. Here we examine the effects of the three growth promoters on the osmotic potential difference (delta Psi), the accumulation of solutes (delta TSC), the wall yield threshold (Y) and the growth potential (delta Psi -Y). With GA3 and BA, but not WL, there was a rapid decline in delta Psi as measured by the osmotic concentration of expressed sap. Unlike WL, neither GA3 nor BA promoted the accumulation of osmotic solutes. The decline in delta Psi, however, was apparently counteracted by a decline in Y since the growth potential, as measured by the external-osmoticum method, remained unchanged. It is concluded that WL, GA3 and BA all promote cell enlargement of bean leaves by increasing one cellular growth parameter, wall extensibility. Only WL, however, promotes osmotic adjustment during growth.

Mutational analysis of the antigenomic trans-acting delta ribozyme: the alterations of the middle nucleotides located on the P1 stem.

PubMed Central

Ananvoranich, S; Lafontaine, D A; Perreault, J P

1999-01-01

Our previous report on delta ribozyme cleavage using a trans -acting antigenomic delta ribozyme and a collection of short substrates showed that the middle nucleotides of the P1 stem, the substrate binding site, are essential for the cleavage activity. Here we have further investigated the effect of alterations in the P1 stem on the kinetic and thermodynamic parameters of delta ribozyme cleavage using various ribozyme variants carrying single base mutations at putative positions reported. The kinetic and thermodynamic values obtained in mutational studies of the two middle nucleotides of the P1 stem suggest that the binding and active sites of the delta ribozyme are uniquely formed. Firstly, the substrate and the ribozyme are engaged in the formation of a helix, known as the P1 stem, which may contain a weak hydrogen bond(s) or a bulge. Secondly, a tertiary interaction involving the base moieties in the middle of the P1 stem likely plays a role in defining the chemical environment. As a con-sequence, the active site might form simultaneously or subsequently to the binding site during later steps of the pathway. PMID:10037808

Preliminary Analysis of Delta-V Requirements for a Lunar CubeSat Impactor with Deployment Altitude Variations

NASA Astrophysics Data System (ADS)

Song, Young-Joo; Ho, Jin; Kim, Bang-Yeop

2015-09-01

Characteristics of delta-V requirements for deploying an impactor from a mother-ship at different orbital altitudes are analyzed in order to prepare for a future lunar CubeSat impactor mission. A mother-ship is assumed to be orbiting the moon with a circular orbit at a 90 deg inclination and having 50, 100, 150, 200 km altitudes. Critical design parameters that are directly related to the success of the impactor mission are also analyzed including deploy directions, CubeSat flight time, impact velocity, and associated impact angles. Based on derived delta-V requirements, required thruster burn time and fuel mass are analyzed by adapting four different miniaturized commercial onboard thrusters currently developed for CubeSat applications. As a result, CubeSat impact trajectories as well as thruster burn characteristics deployed at different orbital altitudes are found to satisfy the mission objectives. It is concluded that thrust burn time should considered as the more critical design parameter than the required fuel mass when deducing the onboard propulsion system requirements. Results provided through this work will be helpful in further detailed system definition and design activities for future lunar missions with a CubeSat-based payload.

[Characteristics of night sleep of monkeys on the ground and during space flight on "Kosmos-1667"].

PubMed

Shlyk, G G; Rotenberg, V S; Shirvinskaia, M A; Koro'lkov, V I; Magedov, V S

1989-01-01

The data on the sleep structure of two rhesus monkeys, Vernyi and Gordyi, during their 7-day space flight on Cosmos-1667 and a control study staged a month after recovery are discussed. Sleep structure was changed to the greatest extent the night before launch when additional stress factors were involved. During the first night in space Vernyi showed the so-called recoil effect. Later his sleep structure became stabilized: the specific weight of fast sleep diminished and the fast sleep/delta/sleep index in the first two cycles decreased. In the ground-based control study, sleep parameters pointed to a deteriorated health status of the animal: his fast sleep patterns changed and delta-sleep often reached its maximum after a fast sleep episode. In this animal adaptation was associated with fast sleep restructuring. In the second primate, Gordyi, the process of adaptation was extended and took three nights. This animal consistently showed low parameters of delta-sleep during both fright and postflight control study; it exhibited no recoil phenomenon after its reduction in the prelaunch night. The structure of sleep indicated that it played a lesser role in the overall process of adaptation.

The modelling of symmetric airfoil vortex generators

NASA Technical Reports Server (NTRS)

Reichert, B. A.; Wendt, B. J.

1996-01-01

An experimental study is conducted to determine the dependence of vortex generator geometry and impinging flow conditions on shed vortex circulation and crossplane peak vorticity for one type of vortex generator. The vortex generator is a symmetric airfoil having a NACA 0012 cross-sectional profile. The geometry and flow parameters varied include angle-of-attack alfa, chordlength c, span h, and Mach number M. The vortex generators are mounted either in isolation or in a symmetric counter-rotating array configuration on the inside surface of a straight pipe. The turbulent boundary layer thickness to pipe radius ratio is delta/R = 0. 17. Circulation and peak vorticity data are derived from crossplane velocity measurements conducted at or about 1 chord downstream of the vortex generator trailing edge. Shed vortex circulation is observed to be proportional to M, alfa, and h/delta. With these parameters held constant, circulation is observed to fall off in monotonic fashion with increasing airfoil aspect ratio AR. Shed vortex peak vorticity is also observed to be proportional to M, alfa, and h/delta. Unlike circulation, however, peak vorticity is observed to increase with increasing aspect ratio, reaching a peak value at AR approx. 2.0 before falling off.

Implication of the rs670 variant of APOA1 gene with lipid profile, serum adipokine levels and components of metabolic syndrome in adult obese subjects.

PubMed

de Luis, Daniel Antonio; Izaola, Olatz; Primo, David; Aller, Rocio

2017-12-15

A G-to-A transition located 75 base pairs upstream (rs670) from transcription start site of the APOA1 gene is related with metabolic parameters. The aim of the present investigation was to describe the association of rs670 with metabolic syndrome and metabolic parameters. The study involved a population of 1000 obese subjects. Measurements of anthropometric parameters, arterial blood pressure, fasting blood glucose, C-reactive protein (CRP), insulin concentration, insulin resistance (HOMA-IR), lipid profile, adipokines levels and prevalence of MetS was recorded. Genotype of ApoA1 gene polymorphism (rs670) was evaluated. A sample of 1000 obese subjects with a mean BMI of 36.5 ± 5.0 kg/m 2 was enrolled. In males, weight (delta: 3.3 ± 1.2 kg; p = 0.01), fat mass (delta: 2.7 ± 1.1 kg; p = 0.01), waist circumference (delta: 2.8 ± 1.1 cm; p = 0.02), fasting glucose (delta: 8.9 ± 2.2 mg/dl; p = 0.01), insulin levels (delta: 3.7 ± 1.2 UI/L; p = 0.04) and HOMA-IR (delta: 1.2 ± 1.1 units; p = 0.02) were higher in non-A allele carriers than A allele carriers. In males without A allele, an increased risk of hyperglycemia (OR = 1.40, 95% CI = 1.09-2.09, p = 0.04), percentage of central obesity (OR = 4.55, 95% CI = 1.36-15.39, p = 0.01), percentage of low HDL-C (OR = 2.02, 95% CI = 1.02-4.03, p = 0.03) and prevalence of diabetes mellitus (OR = 2.14, 95% CI = 1.03-5.04, p = 0.03) were reported. rs670 of APOA1 gene has a gender specific influence on serum glucose, insulin, HOMA-IR, fat mass, weight and waist circumference. Males without A allele showed high rates of central obesity, low levels of HDL, hyperglycemia and diabetes mellitus. Copyright © 2017 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.

Solubility of alkali metal halides in the ionic liquid [C4C1im][OTf].

PubMed

Kuzmina, O; Bordes, E; Schmauck, J; Hunt, P A; Hallett, J P; Welton, T

2016-06-28

The solubilities of the metal halides LiF, LiCl, LiBr, LiI, NaF, NaCl, NaBr, NaI, KF, KCl, KBr, KI, RbCl, CsCl, CsI, were measured at temperatures ranging from 298.15 to 378.15 K in the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([C4C1im][OTf]). Li(+), Na(+) and K(+) salts with anions matching the ionic liquid have also been investigated to determine how well these cations dissolve in [C4C1im][OTf]. This study compares the influence of metal cation and halide anion on the solubility of salts within this ionic liquid. The highest solubility found was for iodide salts, and the lowest solubility for the three fluoride salts. There is no outstanding difference in the solubility of salts with matching anions in comparison to halide salts. The experimental data were correlated employing several phase equilibria models, including ideal mixtures, van't Hoff, the λh (Buchowski) equation, the modified Apelblat equation, and the non-random two-liquid model (NRTL). It was found that the van't Hoff model gave the best correlation results. On the basis of the experimental data the thermodynamic dissolution parameters (ΔH, ΔS, and ΔG) were determined for the studied systems together with computed gas phase metathesis parameters. Dissolution depends on the energy difference between enthalpies of fusion and dissolution of the solute salt. This demonstrates that overcoming the lattice energy of the solid matrix is the key to the solubility of inorganic salts in ionic liquids.

A Method for Assessing the Quality of Model-Based Estimates of Ground Temperature and Atmospheric Moisture Using Satellite Data

NASA Technical Reports Server (NTRS)

Wu, Man Li C.; Schubert, Siegfried; Lin, Ching I.; Stajner, Ivanka; Einaudi, Franco (Technical Monitor)

2000-01-01

A method is developed for validating model-based estimates of atmospheric moisture and ground temperature using satellite data. The approach relates errors in estimates of clear-sky longwave fluxes at the top of the Earth-atmosphere system to errors in geophysical parameters. The fluxes include clear-sky outgoing longwave radiation (CLR) and radiative flux in the window region between 8 and 12 microns (RadWn). The approach capitalizes on the availability of satellite estimates of CLR and RadWn and other auxiliary satellite data, and multiple global four-dimensional data assimilation (4-DDA) products. The basic methodology employs off-line forward radiative transfer calculations to generate synthetic clear-sky longwave fluxes from two different 4-DDA data sets. Simple linear regression is used to relate the clear-sky longwave flux discrepancies to discrepancies in ground temperature ((delta)T(sub g)) and broad-layer integrated atmospheric precipitable water ((delta)pw). The slopes of the regression lines define sensitivity parameters which can be exploited to help interpret mismatches between satellite observations and model-based estimates of clear-sky longwave fluxes. For illustration we analyze the discrepancies in the clear-sky longwave fluxes between an early implementation of the Goddard Earth Observing System Data Assimilation System (GEOS2) and a recent operational version of the European Centre for Medium-Range Weather Forecasts data assimilation system. The analysis of the synthetic clear-sky flux data shows that simple linear regression employing (delta)T(sub g)) and broad layer (delta)pw provides a good approximation to the full radiative transfer calculations, typically explaining more thin 90% of the 6 hourly variance in the flux differences. These simple regression relations can be inverted to "retrieve" the errors in the geophysical parameters, Uncertainties (normalized by standard deviation) in the monthly mean retrieved parameters range from 7% for (delta)T(sub g) to approx. 20% for the lower tropospheric moisture between 500 hPa and surface. The regression relationships developed from the synthetic flux data, together with CLR and RadWn observed with the Clouds and Earth Radiant Energy System instrument, ire used to assess the quality of the GEOS2 T(sub g) and pw. Results showed that the GEOS2 T(sub g) is too cold over land, and pw in upper layers is too high over the tropical oceans and too low in the lower atmosphere.

[Status of the water-soluble component of the antioxidant defense system in the conditions of 520-day isolation].

PubMed

Morukov, B V; Popov, I N; Levin, G; Markin, A A; Zhuravleva, O A; Kuzichkin, D S

2013-01-01

In the 520-d chamber experiment within the international project Mars-500 blood samples of 6 male test-subjects of 28 to 39 years of age were analyzed for water-soluble antioxidants: total bilirubin and uric acid; in addition, total antioxidant capacity of blood plasma was determined. Maximal values of these parameters were associated with the most stressful periods of the experiment, i.e. adaptation to the life in isolation and confinement, simulation of the egress onto Martian surface, and change of the diet. On attainment of the homeostatic equilibrium the parameters stabilized on levels slightly lower relative to baseline (pre-isolation) values. Therefore, dynamics of the water-soluble antioxidants reflected adequately the homeostatic reactions to and compensation by organism of the effects of the 520-day life in isolation and confinement.

Solubilities of selected organic electronic materials in pressurized hot water and estimations of aqueous solubilities at 298.15 K.

PubMed

Karásek, Pavel; Hohnová, Barbora; Planeta, Josef; Št'avíková, Lenka; Roth, Michal

2013-02-01

Increasing production and disposal of organic light-emitting diode (OLED) displays for smartphones and tablets may have impact on the environment depending on the aqueous solubility of the pertinent chemicals. Here, aqueous solubilities are presented for several compounds, mostly aromatic amines, used as hole transport materials in the OLED displays. Solute selection includes 1,4-bis(diphenylamino)benzene, tetra-N-phenylbenzidine, 4,4'-bis(N-carbazolyl)-1,1'-biphenyl, 1,3,5-tris(diphenylamino)benzene, and 9,10-bis(phenylethynyl)anthracene. The solubilities are those in pressurized hot water (PHW), i.e., measured at elevated temperature (up to 260 °C) and pressure. The semi-quantitative estimates of room-temperature solubilities of the solutes have been obtained from extrapolations of the solubilities in PHW. For the compounds studied, the estimated aqueous solubilities at room temperature do not exceed 2×10(-11) g of the solute per 1 kg of water. Aqueous solubilities of triphenylamine have also been measured and used to upgrade a recent group-contribution model of aqueous solubilities of organic nonelectrolytes with the parameters for the nitrogen atom in aromatic amines. Copyright © 2012 Elsevier Ltd. All rights reserved.

Effect of light irradiation on tooth whitening: enamel microhardness and color change.

PubMed

Gomes, Mauricio Neves; Francci, Carlos; Medeiros, Igor Studart; De Godoy Froes Salgado, Nívea Regina; Riehl, Heraldo; Marasca, José Milton; Muench, Antônio

2009-01-01

The aim of this study was to evaluate the influence of light exposure associated with 35% hydrogen peroxide (Pola Office, SDI, Melbourne, Vic., Australia) or 15% hydrogen peroxide (BriteSmile, Discus, Culver City, CA, USA) on the microhardness and color changes of bovine enamel. Experimental groups were Britesmile + Light (BL) (15% hydrogen peroxide + plasm arc; 4 x 20 minutes), Britesmile + No Light (BN) (BL, no light), Pola office + Light (PL) (35% hydrogen peroxide + LED; 4 x 8 minutes), and Pola office + No light (PN) (PL, no light). Color changes (DeltaE) and the CIELAB (Commission Internationale de l' Eclairage, L* a* b* color system) parameters (L*, a*, and b*) were assessed with a spectrophotometer before (B), immediately (A), 1 day and 7 days after bleaching. The microhardness was measured before (B) and after (A), the obtained data were submitted to a two-way analysis of variance, and DeltaE were submitted to t-test for each period. Only Pola Office, in which the peroxide is associated with the light, improved DeltaE when evaluated immediately after bleaching (p < 0.001). Light exposure did not influence DeltaE after 1 day or 7 days for either bleaching system. The enamel microhardness was not altered after bleaching for BriteSmile. However, enamel microhardness was reduced after bleaching for Pola Office, 283 MPa (+/-21) and 265 MPa (+/-27), respectively. It was concluded that these two bleaching systems were efficient regardless of the light systems used. However, the 35% hydrogen peroxide altered the enamel microhardness. CLINICAL SIGNIFICANCE Enamel microhardness was affected by a 35% hydrogen peroxide in-office bleaching therapy. Moreover, the in-office bleaching outcome was not improved by using the light associated with systems tested in this study. (J Esthet Restor Dent 21:387-396, 2009).

Safety of an intra-oral hearing device utilizing a split-mouth research design.

PubMed

Miller, Ross; Hujoel, Philippe; Murray, Michael; Popelka, Gerald R

2011-01-01

The auditory deficits of Single Sided Deafness (SSD) can be treated effectively with a novel device, SoundBite, that delivers sound by applying imperceptible vibratory signals to the teeth (hereafter referred to as an intra-oral hearing device). The intra-oral hearing device is placed around two maxillary teeth and is similar to a small partial denture or retainer. The goal of this study was to report how this removable hearing device affects the oral structures. Twenty-two SSD patients wearing an intra-oral hearing device were enrolled in a prospective study for six months. Differences (delta) between the device-anchoring teeth and the equivalent contralateral non-device teeth were evaluated with four dental parameters using a paired t-test. Hearing thresholds were evaluated as a function of alveolar bone support using linear regression. Compared to the non-device teeth, the hearing device teeth did not exhibit any increased recession (delta = 0.1 mm, p-value = 0.48), increased pocket depth (delta = 0.0 mm, p-value = 0.48), increased root resorption (delta = 4%, p-value = 0.43), or increased alveolar bone loss (delta = 0.0 %, p-value = 0.43). There was no association between the amount of alveolar support and hearing thresholds (delta = 0.2, p-value = 0.34). The intra-oral component of the hearing device did not adversely affect the dental structures of the subjects in this trial.

Fistuloclysis Improves Liver Function and Nutritional Status in Patients with High-Output Upper Enteric Fistula

PubMed Central

Wu, Yin; Ren, Jianan; Wang, Gefei; Zhou, Bo; Ding, Chao; Gu, Guosheng; Chen, Jun; Liu, Song; Li, Jieshou

2014-01-01

Background. We aimed to determine the efficacy of fistuloclysis in patients with high-output upper enteric fistula (EF). Methods. Patients were assigned into the fistuloclysis group (n = 35, receiving fistuloclysis plus total enteral nutrition (TEN)) and the control group (n = 60, receiving TEN). Laboratory variables were measured during the four-week treatment. Results. At baseline, variables were similar between the two groups. Delta value was defined as the changes from baseline to day 28. Compared with the control group, the fistuloclysis group showed greater improvements in liver function (Delta total bilirubin (TB): 20.3 ± 9.7 in the fistuloclysis group versus 15.6 ± 6.3 in the control group, P = 0.040; Delta direct bilirubin (DB): 12.5 ± 3.4 versus 10.0 ± 3.6, P = 0.011; Delta alkaline phosphatase (ALP): 98.4 ± 33.5 versus 57.6 ± 20.9, P < 0.001); nutritional status (Delta total protein: 21.8 ± 8.7 versus 10.7 ± 2.1, P < 0.001; Delta albumin: 11.3 ± 2.5 versus 4.2 ± 1.3, P < 0.001). In the fistuloclysis subgroups, biliary fistula patients had the maximum number of variables with the greatest improvements. Conclusions. Fistuloclysis improved hepatic and nutritional parameters in patients with high-output upper EF, particularly in biliary fistula patients. PMID:24719613

Fistuloclysis improves liver function and nutritional status in patients with high-output upper enteric fistula.

PubMed

Wu, Yin; Ren, Jianan; Wang, Gefei; Zhou, Bo; Ding, Chao; Gu, Guosheng; Chen, Jun; Liu, Song; Li, Jieshou

2014-01-01

Background. We aimed to determine the efficacy of fistuloclysis in patients with high-output upper enteric fistula (EF). Methods. Patients were assigned into the fistuloclysis group (n = 35, receiving fistuloclysis plus total enteral nutrition (TEN)) and the control group (n = 60, receiving TEN). Laboratory variables were measured during the four-week treatment. Results. At baseline, variables were similar between the two groups. Delta value was defined as the changes from baseline to day 28. Compared with the control group, the fistuloclysis group showed greater improvements in liver function (Delta total bilirubin (TB): 20.3 ± 9.7 in the fistuloclysis group versus 15.6 ± 6.3 in the control group, P = 0.040; Delta direct bilirubin (DB): 12.5 ± 3.4 versus 10.0 ± 3.6, P = 0.011; Delta alkaline phosphatase (ALP): 98.4 ± 33.5 versus 57.6 ± 20.9, P < 0.001); nutritional status (Delta total protein: 21.8 ± 8.7 versus 10.7 ± 2.1, P < 0.001; Delta albumin: 11.3 ± 2.5 versus 4.2 ± 1.3, P < 0.001). In the fistuloclysis subgroups, biliary fistula patients had the maximum number of variables with the greatest improvements. Conclusions. Fistuloclysis improved hepatic and nutritional parameters in patients with high-output upper EF, particularly in biliary fistula patients.

When the same hydraulics conditions lead to different depositional patterns: case of an idealised delta

NASA Astrophysics Data System (ADS)

Peltier, Yann; Erpicum, Sébastien; Archambeau, Pierre; Pirotton, Michel; Dewals, Benjamin

2016-04-01

Deltas are complex hydrosystems and ecosystems resulting from the interactions of a river system with a water body almost at rest. Anthropogenic factors (hydropower, flood management, development in the floodplains) lead to dramatic changes in sediment transport in the rivers and in sediment management practice. From continuous, the sediment transport becomes increasingly intermittent, with long periods of deficit in the sediment supply and short periods characterized by large supplies. Understanding how these intermittencies in the sediment supply affect the delta morphodynamics is of paramount importance for predicting the possible evolution and functioning of deltas. Deltas can reasonably be idealised as a reservoir, with an inlet channel representing the river and the sudden enlargement of the reservoir representing the water body at rest. Using such an ideal configuration enables the assessment of the influence of individual geometric and hydraulic parameters on the depositional patterns responsible for the morphodynamic evolution of the delta. Recent literature has shown that for very similar hydraulic boundary conditions, two very different types of flow fields may develop ("straight jet" vs. "meandering jet"), leading to totally different depositional patterns. In turn, these distinct depositional patterns affect the flow itself through a two-way coupling between the hydrodynamics and the morphodynamics of the deposits. These complex processes will be discussed in the proposed presentation, based on the results of over 160 experimental tests and corresponding numerical simulations.

Nutritional quality of eggs from hens fed distillers dried grains with solubles

USDA-ARS?s Scientific Manuscript database

A feeding trial was conducted with laying hens where either 10% or 20% regular-fat distiller’s dried grains with solubles (R-DDGS) or low-fat DDGS (L-DDGS) were incorporated into the feed. Production parameters and the effect of DDGS on egg nutritional quality, focusing on yolk lipids, were evaluate...

Modeling the Hydrogen Solubility in Liquid Aluminum Alloys

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe; Chartrand, Patrice

2010-08-01

The modeling of hydrogen solubility in multicomponent Al-(Li, Mg, Cu, and Si) liquid phase has been performed with a thermodynamic approach using the modified quasichemical model with the pair approximation (MQMPA). All hydrogen solubility data available in literature was assessed critically to obtain the binary parameters of the MQMPA model for the Al-H, Li-H, Mg-H, Cu-H, Zn-H, and Si-H melts. For the Li-H system, a new thermodynamic description of the stable solid lithium hydride was determined based on the c p found in literature. The thermodynamic model for the Al-Li system also was reassessed in this work to take into account the short-range ordering observed for this system. Built-in interpolation techniques allow the model to estimate the thermodynamic properties of the multicomponent liquid solution from the liquid model parameters of the lower order subsystems. A comparison of the calculated hydrogen solubility performed at various equilibrium conditions of temperature, pressure, and composition with the available experimental data found in the literature is presented in this work, as well as a comparison with some results from previous modeling.

Solubility Prediction of Active Pharmaceutical Compounds with the UNIFAC Model

NASA Astrophysics Data System (ADS)

Nouar, Abderrahim; Benmessaoud, Ibtissem; Koutchoukali, Ouahiba; Koutchoukali, Mohamed Salah

2016-03-01

The crystallization from solution of an active pharmaceutical ingredient requires the knowledge of the solubility in the entire temperature range investigated during the process. However, during the development of a new active ingredient, these data are missing. Its experimental determination is possible, but tedious. UNIFAC Group contribution method Fredenslund et al. (Vapor-liquid equilibria using UNIFAC: a group contribution method, 1977; AIChE J 21:1086, 1975) can be used to predict this physical property. Several modifications on this model have been proposed since its development in 1977, modified UNIFAC of Dortmund Weidlich et al. (Ind Eng Chem Res 26:1372, 1987), Gmehling et al. (Ind Eng Chem Res 32:178, 1993), Pharma-modified UNIFAC Diedrichs et al. (Evaluation und Erweiterung thermodynamischer Modelle zur Vorhersage von Wirkstofflöslichkeiten, PhD Thesis, 2010), KT-UNIFAC Kang et al. (Ind Eng Chem Res 41:3260, 2002), ldots In this study, we used UNIFAC model by considering the linear temperature dependence of interaction parameters as in Pharma-modified UNIFAC and structural groups as defined by KT-UNIFAC first-order model. More than 100 binary datasets were involved in the estimation of interaction parameters. These new parameters were then used to calculate activity coefficient and solubility of some molecules in various solvents at different temperatures. The model gives better results than those from the original UNIFAC and shows good agreement between the experimental solubility and the calculated one.

Match of Solubility Parameters Between Oil and Surfactants as a Rational Approach for the Formulation of Microemulsion with a High Dispersed Volume of Copaiba Oil and Low Surfactant Content.

PubMed

Xavier-Junior, Francisco Humberto; Huang, Nicolas; Vachon, Jean-Jacques; Rehder, Vera Lucia Garcia; do Egito, Eryvaldo Sócrates Tabosa; Vauthier, Christine

2016-12-01

Aim was to formulate oil-in-water (O/W) microemulsion with a high volume ratio of complex natural oil, i.e. copaiba oil and low surfactant content. The strategy of formulation was based on (i) the selection of surfactants based on predictive calculations of chemical compatibility between their hydrophobic moiety and oil components and (ii) matching the HLB of the surfactants with the required HLB of the oil. Solubility parameters of the hydrophobic moiety of the surfactants and of the main components found in the oil were calculated and compared. In turn, required HLB of oils were calculated. Selection of surfactants was achieved matching their solubility parameters with those of oil components. Blends of surfactants were prepared with HLB matching the required HLB of the oils. Oil:water mixtures (15:85 and 25:75) were the titrated with surfactant blends until a microemulsion was formed. Two surfactant blends were identified from the predictive calculation approach. Microemulsions containing up to 19.6% and 13.7% of selected surfactant blends were obtained. O/W microemulsions with a high volume fraction of complex natural oil and a reasonable surfactant concentration were formulated. These microemulsions can be proposed as delivery systems for the oral administration of poorly soluble drugs.

Transonic Reynolds Number and Leading-Edge Bluntness Effects on a 65 deg Delta Wing

NASA Technical Reports Server (NTRS)

Luckring, J. M.

2003-01-01

A 65 degree delta wing has been tested in the National Transonic Facility (NTF) at mean aerodynamic chord Reynolds numbers from 6 million to 120 million at subsonic and transonic speeds. The configuration incorporated a systematic variation of the leading edge bluntness. The analysis for this paper is focused on the Reynolds number and bluntness effects at transonic speeds (M = 0.85) from this data set. The results show significant effects of both these parameters on the onset and progression of leading edge vortex separation.

Reynolds Number and Leading-Edge Bluntness Effects on a 65 Deg Delta Wing

NASA Technical Reports Server (NTRS)

Luckring, J. M.

2002-01-01

A 65 deg delta wing has been tested in the National Transonic Facility (NTF) at mean aerodynamic chord Reynolds numbers from 6 million to 120 million at subsonic and transonic speeds. The configuration incorporated systematic variation of the leading edge bluntness. The analysis for this paper is focused on the Reynolds number and bluntness effects at subsonic speeds (M = 0.4) from this data set. The results show significant effects of both these parameters on the onset and progression of leading-edge vortex separation.

Transonic Reynolds Number and Leading-Edge Bluntness Effects on a 65 deg Delta Wing

NASA Technical Reports Server (NTRS)

Luckring, J. M.

2003-01-01

A 65 deg delta wing has been tested in the National Transonic Facility (NTF) at mean aerodynamic chord Reynolds numbers from 6 million to 120 million at subsonic and transonic speeds. The configuration incorporated a systematic variation of the leading edge bluntness. The analysis for this paper is focused on the Reynolds number and bluntness effects at transonic speeds (M = 0.85) from this data set. The results show significant effects of both these parameters on the onset and progression of leading- edge vortex separation.

Reynolds Number and Leading-Edge Bluntness Effects on a 65 deg Delta Wing

NASA Technical Reports Server (NTRS)

Luckring, J. M.

2002-01-01

A 65 degree delta wing has been tested in the National Transonic Facility (NTF) at mean aerodynamic chord Reynolds numbers from 6 million to 120 million at subsonic and transonic speeds. The configuration incorporated systematic variation of the leading edge bluntness. The analysis for this paper is focused on the Reynolds number and bluntness effects at subsonic speeds (M = 0.4) from this data set. The results show significant effects of both these parameters on the onset and progression of leading-edge vortex separation.

Transonic Reynolds Number and Leading-Edge Bluntness Effects on a 65 deg Delta Wing

NASA Technical Reports Server (NTRS)

Luckring, J. M.

2003-01-01

A 65 deg delta wing has been tested in the National Transonic Facility (NTF) at mean aerodynamic chord Reynolds numbers from 6 million to 120 million at subsonic and transonic speeds. The configuration incorporated a systematic variation of the leading edge bluntness. The analysis for this paper is focused on the Reynolds number and bluntness effects at transonic speeds (M=0.85) from this data set. The results show significant effects of both these parameters on the onset and progression of leading-edge vortex separation.

[Microcalorimetric study of the effect of mitoxantrone on chromatin DNA in vivo].

PubMed

Monaselidze, D R; Kalandadze, Ia L; Khachidze, D G; Topuridze, I

1994-01-01

The influence of antitumor drugs--mitocsantron on the chromatine of tumor cells spleen tissue of BALB/c-mice has been established. Two-stage denaturation process of chromatine in normal cells has been shown. The first stage--thermolabel domain can be described by the following transition parameters: Td1 = 72, delta Td1 = 6.2 degrees C, Qd1 = 36.5 J/g DNA; the second one-thermostable domain by Td2 = 83, delta Td2 = 9.0 degrees C kappa Qd2 = 58 J/g DNA.

Coulomb-Gas scaling law for a superconducting Bi(2+y)Sr(2-x-y)La(x)CuO(6+delta) thin films in magnetic fields

PubMed

Zhang; Deltour; Zhao

2000-10-16

The electrical transport properties of epitaxial superconducting Bi(2+y)Sr(2-x-y)La(x)CuO(6+delta) thin films have been studied in magnetic fields. Using a modified Coulomb-gas scaling law, we can fit all the magnetic field dependent low resistance data with a universal scaling curve, which allows us to determine a relation between the activation energy of the thermally activated flux flow resistance and the characteristic temperature scaling parameters.

Long- and short-time analysis of heartbeat sequences: correlation with mortality risk in congestive heart failure patients.

PubMed

Allegrini, P; Balocchi, R; Chillemi, S; Grigolini, P; Hamilton, P; Maestri, R; Palatella, L; Raffaelli, G

2003-06-01

We analyze RR heartbeat sequences with a dynamic model that satisfactorily reproduces both the long- and the short-time statistical properties of heart beating. These properties are expressed quantitatively by means of two significant parameters, the scaling delta concerning the asymptotic effects of long-range correlation, and the quantity 1-pi establishing the amount of uncorrelated fluctuations. We find a correlation between the position in the phase space (delta, pi) of patients with congestive heart failure and their mortality risk.

Measurement of the bottom hadron lifetime at the Z sup 0 resonancce

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

Fujino, D.H.

1992-06-01

We have measured the bottom hadron lifetime from b{bar b} events produced at the Z{sup 0} resonance. Using the precision vertex detectors of the Mark II detector at the Stanford Linear Collider, we developed an impact parameter tag to identify bottom hadrons. The vertex tracking system resolved impact parameters to 30 {mu}m for high momentum tracks, and 70 {mu}m for tracks with a momentum of 1 GeV. We selected B hadrons with an efficiency of 40% and a sample purity of 80%, by requiring there be at least two tracks in a single jet that significantly miss the Z{sup 0}more » decay vertex. From a total of 208 hadronic Z{sup 0} events collected by the Mark II detector in 1990, we tagged 53 jets, of which 22 came from 11 double-tagged events. The jets opposite the tagged ones, referred as the untagged'' sample, are rich in B hadrons and unbiased in B decay times. The variable {Sigma}{delta} is the sum of impact parameters from tracks in the jet, and contains vital information on the B decay time. We measured the B lifetime from a one-parameter likelihood fit to the untagged {Sigma}{delta} distribution, obtaining {tau}{sub b} = 1.53{sub {minus}0.45}{sup +0.55}{plus minus}0.16 ps which agrees with the current world average. The first error is statistical and the second is systematic. The systematic error was dominated by uncertainties in the track resolution function. As a check, we also obtained consistent results using the {Sigma}{delta} distribution from the tagged jets and from the entire hadronic sample without any bottom enrichment.« less

Binary classification of aqueous solubility using support vector machines with reduction and recombination feature selection.

PubMed

Cheng, Tiejun; Li, Qingliang; Wang, Yanli; Bryant, Stephen H

2011-02-28

Aqueous solubility is recognized as a critical parameter in both the early- and late-stage drug discovery. Therefore, in silico modeling of solubility has attracted extensive interests in recent years. Most previous studies have been limited in using relatively small data sets with limited diversity, which in turn limits the predictability of derived models. In this work, we present a support vector machines model for the binary classification of solubility by taking advantage of the largest known public data set that contains over 46 000 compounds with experimental solubility. Our model was optimized in combination with a reduction and recombination feature selection strategy. The best model demonstrated robust performance in both cross-validation and prediction of two independent test sets, indicating it could be a practical tool to select soluble compounds for screening, purchasing, and synthesizing. Moreover, our work may be used for comparative evaluation of solubility classification studies ascribe to the use of completely public resources.

Sibutramine characterization and solubility, a theoretical study

NASA Astrophysics Data System (ADS)

Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René

2013-04-01

Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.

Optimized Unlike-Pair Interactions for Water-Carbon Dioxide Mixtures described by the SPC/E and EPM2 Models

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

Vlcek, Lukas; Chialvo, Ariel A; Cole, David

The unlike- pair interaction parameters for the SPC/E- EPM2 models have been optimized to reproduce the mutual solubility of water and carbon dioxide at the conditions of liquid- supercritical fluid phase equilibria. An efficient global optimization of the parameters is achieved through an implementation of the coupling parameter approach, adapted to phase equilibria calculations in the Gibbs ensemble, that explicitly corrects for the over- polarization of the SPC/E water molecule in the non- polar CO2 environments. The resulting H2O- CO2 force field reproduces accurately the available experimental solubilities at the two fluid phases in equilibria as well as the correspondingmore » species tracer diffusion coefficients.« less

Detecting ordered small molecule drug aggregates in live macrophages: a multi-parameter microscope image data acquisition and analysis strategy

PubMed Central

Rzeczycki, Phillip; Yoon, Gi Sang; Keswani, Rahul K.; Sud, Sudha; Stringer, Kathleen A.; Rosania, Gus R.

2017-01-01

Following prolonged administration, certain orally bioavailable but poorly soluble small molecule drugs are prone to precipitate out and form crystal-like drug inclusions (CLDIs) within the cells of living organisms. In this research, we present a quantitative multi-parameter imaging platform for measuring the fluorescence and polarization diattenuation signals of cells harboring intracellular CLDIs. To validate the imaging system, the FDA-approved drug clofazimine (CFZ) was used as a model compound. Our results demonstrated that a quantitative multi-parameter microscopy image analysis platform can be used to study drug sequestering macrophages, and to detect the formation of ordered molecular aggregates formed by poorly soluble small molecule drugs in animals. PMID:28270989

Detecting ordered small molecule drug aggregates in live macrophages: a multi-parameter microscope image data acquisition and analysis strategy.

PubMed

Rzeczycki, Phillip; Yoon, Gi Sang; Keswani, Rahul K; Sud, Sudha; Stringer, Kathleen A; Rosania, Gus R

2017-02-01

Following prolonged administration, certain orally bioavailable but poorly soluble small molecule drugs are prone to precipitate out and form crystal-like drug inclusions (CLDIs) within the cells of living organisms. In this research, we present a quantitative multi-parameter imaging platform for measuring the fluorescence and polarization diattenuation signals of cells harboring intracellular CLDIs. To validate the imaging system, the FDA-approved drug clofazimine (CFZ) was used as a model compound. Our results demonstrated that a quantitative multi-parameter microscopy image analysis platform can be used to study drug sequestering macrophages, and to detect the formation of ordered molecular aggregates formed by poorly soluble small molecule drugs in animals.

Molecular and isotopic analyses of Tagish Lake alkyl dicarboxylic acids

NASA Astrophysics Data System (ADS)

Pizzarello, Sandra; Huang, Yongsong

2002-05-01

The Tagish Lake meteorite soluble organic suite has a general composition that differs from those of both CI- and CM chondrites. These differences suggest that distinct processes may have been involved in the formation of different groups of organics in meteorites. Tagish Lake alkyl dicarboxylic acids have a varied, abundant distribution and are, with carboxylated pyridines, the only compounds to have an occurrence comparable to that of the Murchison meteorite. This study has undertaken their molecular and isotopic characterization, with the aim to understand their origin and to gain insights into the evolutionary history of the meteorite parent body. Tagish Lake alkyl dicarboxylic acids are present as a homologous series of saturated and unsaturated species with three through ten-carbon atom chain length. Linear saturated acids are predominant and show decreasing amounts with increasing chain length. A total of forty-four of these compounds were detected with the most abundant, succinic acid, present at ~40 nmoles/g. met. Overall the molecular distribution of Tagish Lake dicarboxylic acids shows a remarkable compound to compound correspondence with those observed in the Murchison and Murray meteorites. In both Tagish Lake and Murchison, the imides of the more abundant dicarboxylic acids were also observed. The hydrogen and carbon isotopic compositions of individual Tagish Lake dicarboxylic acids were determined and compared to those of the corresponding acids in the Murchison meteorite. All delta D and delta 13C values for Tagish Lake acids are positive and show a substantial isotopic enrichment. Delta D values vary from, approximately, + 1120 deg for succinic acid to + 1530 deg for methyl glutaric acid. Delta 13C values ranged from + 12.6 deg for methyl glutaric acid to + 22.9 deg for glutaric acid, with adipic acid having a significantly lower value (+ 5.5 deg). Murchison dicarboxylic acid showed similar isotopic values: their delta 13C values were generally higher by an average 17% and delta D values were lower for succinic and glutaric acids, possibly due to contamination. The molecular and isotopic data collected for these compounds restrict their possible origin to processes, either interstellar or of very cold nebular regions, that produced significant isotopic enrichments. Saturated or partially unsaturated nitriles and dinitriles appear to be good precursor candidates as their hydrolysis, upon water exposure, would produce dicarboxylic acids and other carboxylated species found in Tagish Lake. This evolutionary course could possibly include pre-accretionary processes.

A theoretical study of hydrogen complexes of the XH-pi type between propyne and HF, HCL or HCN.

PubMed

Tavares, Alessandra M; da Silva, Washington L V; Lopes, Kelson C; Ventura, Elizete; Araújo, Regiane C M U; do Monte, Silmar A; da Silva, João Bosco P; Ramos, Mozart N

2006-05-15

The present manuscript reports a systematic investigation of the basis set dependence of some properties of hydrogen-bonded (pi type) complexes formed by propyne and a HX molecule, where X=F, Cl and CN. The calculations have been performed at Hartree-Fock, MP2 and B3LYP levels. Geometries, H-bond energies and vibrational have been considered. The more pronounced effects on the structural parameters of the isolated molecules, as a result of complexation, are verified on RCtriple bondC and HX bond lengths. As compared to double-zeta (6-31G**), triple-zeta (6-311G**) basis set leads to an increase of RCtriple bondC bond distance, at all three computational levels. In the case where diffuse functions are added to both hydrogen and 'heavy' atoms, the effect is more pronounced. The propyne-HX structural parameters are quite similar to the corresponding parameters of acetylene-HX complexes, at all levels. The largest difference is obtained for hydrogen bond distance, RH, with a smaller value for propyne-HX complex, indicating a stronger bond. Concerning the electronic properties, the results yield the following ordering for H-bond energies, DeltaE: propynecdots, three dots, centeredHF>propynecdots, three dots, centeredHCl>propynecdots, three dots, centeredHCN. It is also important to point out that the inclusion of BSSE and zero-point energies (ZPE) corrections cause significant changes on DeltaE. The smaller effect of ZPE is obtained for propynecdots, three dots, centeredHCN at HF/6-311++G** level, while the greatest difference is obtained at MP2/6-31G** level for propynecdots, three dots, centeredHF system. Concerning the IR vibrational it was obtained that larger shift can be associated with stronger hydrogen bonds. The more pronounced effect on the normal modes of the isolated molecule after the complexation is obtained for HX stretching frequency, which is shifted downward.

Dynamic Harris current sheet thickness from Cluster current density and plasma measurements

NASA Technical Reports Server (NTRS)

Thompson, S. M.; Kivelson, M. G.; Khurana, K. K.; McPherron, R. L.; Weygand, J. M.; Balogh, A.; Reme, H.; Kistler, L. M.

2005-01-01

We use the first accurate measurements of current densities in the plasma sheet to calculate the half-thickness and position of the current sheet as a function of time. Our technique assumes a Harris current sheet model, which is parameterized by lobe magnetic field B(o), current sheet half-thickness h, and current sheet position z(sub o). Cluster measurements of magnetic field, current density, and plasma pressure are used to infer the three parameters as a function of time. We find that most long timescale (6-12 hours) current sheet crossings observed by Cluster cannot be described by a static Harris current sheet with a single set of parameters B(sub o), h, and z(sub o). Noting the presence of high-frequency fluctuations that appear to be superimposed on lower frequency variations, we average over running 6-min intervals and use the smoothed data to infer the parameters h(t) and z(sub o)(t), constrained by the pressure balance lobe magnetic field B(sub o)(t). Whereas this approach has been used in previous studies, the spatial gnuhen& now provided by the Cluster magnetometers were unavailable or not well constrained in earlier studies. We place the calculated hdf&cknessa in a magnetospheric context by examining the change in thickness with substorm phase for three case study events and 21 events in a superposed epoch analysis. We find that the inferred half-thickness in many cases reflects the nominal changes experienced by the plasma sheet during substorms (i.e., thinning during growth phase, thickening following substorm onset). We conclude with an analysis of the relative contribution of (Delta)B(sub z)/(Delta)X to the cross-tail current density during substorms. We find that (Delta)B(sub z)/(Delta)X can contribute a significant portion of the cross-tail c m n t around substorm onset.

Measurement of CP-Violating Asymmetries in B0 to (rho pi)0 Using a Time-Dependent Dalitz Plot Analysis

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

Wu, J.

We present the preliminary measurement of CP-violating asymmetries in B{sup 0} {yields} ({rho}{pi}){sup 0} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup 0} decays using a time-dependent Dalitz plot analysis. The results are obtained from a data sample of 213 million {Upsilon}(4S) {yields} B{bar B} decays, collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. This analysis extends the narrow-rho quasi-two-body approximation used in the previous analysis, by taking into account the interference between the rho resonances of the three charges. We measure 16 coefficients of the bilinear form factor terms occurring in the time-dependent decay rate of the B{supmore » 0} meson with the use of a maximum-likelihood fit. We derive the physically relevant quantities from these coefficients. We measure the direct CP-violation parameters A{sub {rho}{pi}} = -0.088 {+-} 0.049 {+-} 0.013 and C = 0.34 {+-} 0.11 {+-} 0.05, where the first errors are statistical and the second systematic. For the mixing-induced CP-violation parameter we find S = -0.10 {+-} 0.14 {+-} 0.04, and for the dilution and strong phase shift parameters respectively, we obtain {Delta}C = 0.15 {+-} 0.11 {+-} 0.03 and {Delta}S = 0.22 {+-} 0.15 {+-} 0.03. For the angle alpha of the Unitarity Triangle we measure (113{sub -17}{sup +27} {+-} 6){sup o}, while only a weak constraint is achieved at the significance level of more than two standard deviations. Finally, for the relative strong phase {delta}{sub {+-}} between the B{sup 0} {yields} {rho}{sup -}{pi}{sup +} and B{sup 0} {yields} {rho}{sup +}{pi}{sup -} transitions we find (-67{sub -31}{sup +28} {+-} 7) deg, with a similarly weak constraint at two standard deviations and beyond.« less

Chemical characteristics of PM2.5 during summer at a background site of the Yangtze River Delta in China

NASA Astrophysics Data System (ADS)

Liang, Linlin; Engling, Guenter; Zhang, Xiaoye; Sun, Junying; Zhang, Yangmei; Xu, Wanyun; Liu, Chang; Zhang, Gen; Liu, Xuyan; Ma, Qianli

2017-12-01

With rapid economic development and urbanization, particular attention has been paid to atmospheric chemical studies in the Yangtze River Delta in China. PM2.5 samples were collected by a MiniVol™ air sampler in summer time at a background site of the Yangtze River Delta in China. Carbonaceous components, i.e., OC and EC, levoglucosan and water-soluble inorganic ions, including sulfate, nitrate, ammonium, etc., were quantified. The average concentration of PM2.5 in summer at Lin'an was 30.19 ± 8.86 μg m-3, lower than previous studies reported, confirming that air pollution in China is improving, e.g., by emission control measures and subsequent reduction in PM emissions in China. Investigating the relationship among sulfate, nitrate and ammonium showed that SO42- existed as (NH4)2SO4, while NO3- may have been present as NaNO3 and KNO3. Based on molecular tracers, synoptic data as well as air mass back trajectory analysis, it was revealed that regional transport and stable synoptic conditions both play an important role in controlling the variations of aerosol chemical components. The comparison of chemical species between clean and hazy days showed that secondary organic and inorganic aerosols have different production processes. Secondary organic carbon (SOC) was much more important during clean days, while secondary inorganic aerosol species were readily produced and consequently became more important during polluted periods in Lin'an during summer time.

[Studies on the action features between cefuroxime axetil and bovine serum albumin].

PubMed

Wu, Gang-ke; Yan, Cheng-nong; Liu, Yi

2008-09-01

Under different temperatures and physiological conditions, with cefuroxime axetil concentrations in the range of 1.959 X 10(-6) to 13.71 X 10(-6) mol x L(-1), and bovine serum albumin (BSA) concentrations at 2.0 X 10(-6) mol x L(-1), the interaction between cefuroxime axetil and BSA was studied by fluorescence spectroscopy, three-dimensional fluorescence spectrum, synchronous fluorescence spectrum and UV-Vis absorption spectroscopy. After analyzing and processing the fluorescence quenching data at different temperatures according to Sterm-Volmer equation, Lineweaver-Burk equation and thermodynamic equation, the average value of the apparent binding constant (K(LB): 3.907 X 10(6) L x mol(-1)), and thermodynamics parameters (enthalpy change delta H: -13.43 kJ x mol(-1), entropy change delta S: 81.90 J x K(-1) and standard Gibbs free energy change delta G0: -38.34 kJ x mol(-1)) were calculated, and the amounts of binding sites (n: 1.042)were measured. The fluorescence quenching mechanism of BSA after cefuroxime axetil was added was discussed. BSA was bound with cefuroxime axetil and formed a new compound. The quenching belonged to static fluorescence quenching. The thermodynamic parameters agree with delta H approximately 0, delta S > 0 and delta G0 < 0, and the binding reaction is mainly entropy-driven and electro-static interaction force plays a major role in the reaction. The maximum emission wavelength of Tyr and Trp had an obvious red shift in the synchronous fluorescence spectra, the fluorescence emission wavelength of two peaks had a blue shift in the three-dimensional fluorescence spectrum of BSA in the presence of cefuroxime axetil and the maximum absorbtion wavelenghs of three systems in the UV-Vis absorption spectra were obviously different. These showed that the changes in the micro-environment of Tyr and Trp and demonstrated that the conformation of BSA changed as cefuroxime axetil had been added. This provides important information for discussing the configuration modification of BSA because of the added cefuroxime axetil, and for elucidating the pharmacological effects of cefuroxime axetil and biological effects in the organism.

Methods for calculation of engineering parameters for gas separation. [vapor pressure and solubility of gases in organic liquids

NASA Technical Reports Server (NTRS)

Lawson, D. D.

1979-01-01

A group additivity method is generated which allows estimation, from the structural formulas alone, of the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. Using these two parameters and appropriate thermodynamic relations, the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids are predicted. It is also possible to use the data to evaluate organic and some inorganic liquids for use in gas separation stages or liquids as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

Modeling Storm-Induced Inundation on the Yukon-Kuskokwim Delta for Present and Future Climates

NASA Astrophysics Data System (ADS)

Ravens, T. M.; Allen, J.

2012-12-01

The Yukon-Kuskokwim (YK) Delta is a large delta on the west coast of Alaska and one of the few remaining deltas that is largely free of anthropogenic impacts. The delta hosts a wide-range of nesting birds including the endangered Spectacled Eider. The delta plain, with an elevation of about 2 m (m.s.l.) - and an average tidal range of 2.7 m - is subject to frequent inundation by storm surges originating from the adjacent Bering Sea. Here, we report on our efforts to validate a storm-surge modeling system consisting of a course-grid ADCIRC model covering the Bering and Chukchi Seas and a Delft3D fine-grid model of the southern YK Delta. The storm surge models are validated based on measured water levels from 2007-2010 and using satellite observations of inundation due to large storms in 2005 and 2006. About 10 storms over the past 30 years are modeled. Based on model output, we computed a spatially distributed inundation index which is a time-integral of water level throughout the fine-grid model domain from individual storms and from the 30 year period. In order to examine the change in inundation in future climates, the models of the 30 year period were re-run assuming a 1 and 2 meter sea level rise. The impact of climate change on inundation frequency and intensity - using the inundation index - is reported. Future work will relate the present and projected inundation index to ecological parameters such as bird-nest concentration and vegetation type.

Precipitation pulse use by an invasive woody legume: the role of soil texture and pulse size.

PubMed

Fravolini, Alessandra; Hultine, Kevin R; Brugnoli, Enrico; Gazal, Rico; English, Nathan B; Williams, David G

2005-08-01

Plant metabolic activity in arid and semi-arid environments is largely tied to episodic precipitation events or "pulses". The ability of plants to take up and utilize rain pulses during the growing season in these water-limited ecosystems is determined in part by pulse timing, intensity and amount, and by hydrological properties of the soil that translate precipitation into plant-available soil moisture. We assessed the sensitivity of an invasive woody plant, velvet mesquite (Prosopis velutina Woot.), to large (35 mm) and small (10 mm) isotopically labeled irrigation pulses on two contrasting soil textures (sandy-loam vs. loamy-clay) in semi-desert grassland in southeastern Arizona, USA. Predawn leaf water potential (psi(pd)), the isotopic abundance of deuterium in stem water (deltaD), the abundance of 13C in soluble leaf sugar (delta13C), and percent volumetric soil water content (theta(v)) were measured prior to irrigation and repeatedly for 2 weeks following irrigation. Plant water potential and the percent of pulse water present in the stem xylem indicated that although mesquite trees on both coarse- and fine-textured soils quickly responded to the large irrigation pulse, the magnitude and duration of this response substantially differed between soil textures. After reaching a maximum 4 days after the irrigation, the fraction of pulse water in stem xylem decreased more rapidly on the loamy-clay soil than the sandy-loam soil. Similarly, on both soil textures mesquite significantly responded to the 10-mm pulse. However, the magnitude of this response was substantially greater for mesquite on the sandy-loam soil compared to loamy-clay soil. The relationship between psi(pd) and delta13C of leaf-soluble carbohydrates over the pulse period did not differ between plants at the two sites, indicating that differences in photosynthetic response of mesquite trees to the moisture pulses was a function of soil water availability within the rooting zone rather than differences in plant biochemical or physiological constraints. Patterns of resource acquisition by mesquite during the dynamic wetting-drying cycle following rainfall pulses is controlled by a complex interaction between pulse size and soil hydraulic properties. A better understanding of how this interaction affects plant water availability and photosynthetic response is needed to predict how grassland structure and function will respond to climate change.

Effect of grain moisture content during milling on pasting profile and functional properties of amaranth fractions.

PubMed

Kumar, K Vishnuswamy Preetham; Dharmaraj, Usha; Sakhare, Suresh D; Inamdar, Aashitosh A

2016-05-01

Evaluation of functional properties of milled fractions of grain amaranth may be useful to decide the end uses of the grain. Hence, pasting profiles of amaranth fractions obtained by milling the grains at different moisture contents were studied in relation with their starch profile and also with their swelling power and solubility indices. It was observed that, for flour fraction, the viscosity parameters were lowest at 14-16 % moisture content. Swelling power and solubility indices of the samples varied as a function of grain moisture content. The middling fraction also showed similar pasting pattern with the variation of grain moisture content. The seed coat fractions showed higher gelatinization temperature compared to that of fine flour and middling fractions. However, starch content of the fine seed coat fraction was comparable with that of the flour and middling fractions. The coarse seed coat fraction showed lower viscosity parameters than the other samples. Viscosity parameters correlated well among themselves while, they did not show significant correlation with the starch content. However, the viscosity parameters showed negative correlation with the soluble amylose content. The study revealed that, the fractions obtained by milling the grains at different moisture content show differential pasting profiles and functional properties.

The solubility-permeability interplay and its implications in formulation design and development for poorly soluble drugs.

PubMed

Dahan, Arik; Miller, Jonathan M

2012-06-01

While each of the two key parameters of oral drug absorption, the solubility and the permeability, has been comprehensively studied separately, the relationship and interplay between the two have been largely ignored. For instance, when formulating a low-solubility drug using various solubilization techniques: what are we doing to the apparent permeability when we increase the solubility? Permeability is equal to the drug's diffusion coefficient through the membrane times the membrane/aqueous partition coefficient divided by the membrane thickness. The direct correlation between the intestinal permeability and the membrane/aqueous partitioning, which in turn is dependent on the drug's apparent solubility in the GI milieu, suggests that the solubility and the permeability are closely associated, exhibiting a certain interplay between them, and the current view of treating the one irrespectively of the other may not be sufficient. In this paper, we describe the research that has been done thus far, and present new data, to shed light on this solubility-permeability interplay. It has been shown that decreased apparent permeability accompanies the solubility increase when using different solubilization methods. Overall, the weight of the evidence indicates that the solubility-permeability interplay cannot be ignored when using solubility-enabling formulations; looking solely at the solubility enhancement that the formulation enables may be misleading with regards to predicting the resulting absorption, and hence, the solubility-permeability interplay must be taken into account to strike the optimal solubility-permeability balance, in order to maximize the overall absorption.

Airbreathing engine selection criteria for SSTO propulsion system

NASA Astrophysics Data System (ADS)

Ohkami, Yoshiaki; Maita, Masataka

1995-02-01

This paper presents airbreathing engine selection criteria to be applied to the propulsion system of a Single Stage To Orbit (SSTO). To establish the criteria, a relation among three major parameters, i.e., delta-V capability, weight penalty, and effective specific impulse of the engine subsystem, is derived as compared to these parameters of the LH2/LOX rocket engine. The effective specific impulse is a function of the engine I(sub sp) and vehicle thrust-to-drag ratio which is approximated by a function of the vehicle velocity. The weight penalty includes the engine dry weight, cooling subsystem weight. The delta-V capability is defined by the velocity region starting from the minimum operating velocity up to the maximum velocity. The vehicle feasibility is investigated in terms of the structural and propellant weights, which requires an iteration process adjusting the system parameters. The system parameters are computed by iteration based on the Newton-Raphson method. It has been concluded that performance in the higher velocity region is extremely important so that the airbreathing engines are required to operate beyond the velocity equivalent to the rocket engine exhaust velocity (approximately 4500 m/s).

Computations of Axisymmetric Flows in Hypersonic Shock Tubes

NASA Technical Reports Server (NTRS)

Sharma, Surendra P.; Wilson, Gregory J.

1995-01-01

A time-accurate two-dimensional fluid code is used to compute test times in shock tubes operated at supersonic speeds. Unlike previous studies, this investigation resolves the finer temporal details of the shock-tube flow by making use of modern supercomputers and state-of-the-art computational fluid dynamic solution techniques. The code, besides solving the time-dependent fluid equations, also accounts for the finite rate chemistry in the hypersonic environment. The flowfield solutions are used to estimate relevant shock-tube parameters for laminar flow, such as test times, and to predict density and velocity profiles. Boundary-layer parameters such as bar-delta(sub u), bar-delta(sup *), and bar-tau(sub w), and test time parameters such as bar-tau and particle time of flight t(sub f), are computed and compared with those evaluated by using Mirels' correlations. This article then discusses in detail the effects of flow nonuniformities on particle time-of-flight behind the normal shock and, consequently, on the interpretation of shock-tube data. This article concludes that for accurate interpretation of shock-tube data, a detailed analysis of flowfield parameters, using a computer code such as used in this study, must be performed.

Design and Calibration of the X-33 Flush Airdata Sensing (FADS) System

NASA Technical Reports Server (NTRS)

Whitmore, Stephen A.; Cobleigh, Brent R.; Haering, Edward A.

1998-01-01

This paper presents the design of the X-33 Flush Airdata Sensing (FADS) system. The X-33 FADS uses a matrix of pressure orifices on the vehicle nose to estimate airdata parameters. The system is designed with dual-redundant measurement hardware, which produces two independent measurement paths. Airdata parameters that correspond to the measurement path with the minimum fit error are selected as the output values. This method enables a single sensor failure to occur with minimal degrading of the system performance. The paper shows the X-33 FADS architecture, derives the estimating algorithms, and demonstrates a mathematical analysis of the FADS system stability. Preliminary aerodynamic calibrations are also presented here. The calibration parameters, the position error coefficient (epsilon), and flow correction terms for the angle of attack (delta alpha), and angle of sideslip (delta beta) are derived from wind tunnel data. Statistical accuracy of' the calibration is evaluated by comparing the wind tunnel reference conditions to the airdata parameters estimated. This comparison is accomplished by applying the calibrated FADS algorithm to the sensed wind tunnel pressures. When the resulting accuracy estimates are compared to accuracy requirements for the X-33 airdata, the FADS system meets these requirements.

Rheological characterization of neutral and anionic polysaccharides with reduced mucociliary transport rates.

PubMed

Shah, Ankur J; Donovan, Maureen D

2007-04-20

The purpose of this research was to compare the viscoelastic properties of several neutral and anionic polysaccharide polymers with their mucociliary transport rates (MTR) across explants of ciliated bovine tracheal tissue to identify rheologic parameters capable of predicting the extent of reduction in mucociliary transport. The viscoelastic properties of the polymer gels and gels mixed with mucus were quantified using controlled stress rheometry. In general, the anionic polysaccharides were more efficient at decreasing the mucociliary transport rate than were the neutral polymers, and a concentration threshold, where no further decreases in mucociliary transport occurred with increasing polymer concentration, was observed for several of the neutral polysaccharides. No single rheologic parameter (eta, G', G'', tan delta, G*) was a good predictor of the extent of mucociliary transport reduction, but a combination of the apparent viscosity (eta), tangent to the phase angle (tan delta), and complex modulus (G*) was found to be useful in the identification of formulations capable of decreasing MTR. The relative values of each of the rheologic parameters were unique for each polymer, yet once the relationships between the rheologic parameters and mucociliary transport rate reduction were determined, formulations capable of resisting mucociliary clearance could be rapidly optimized.

Apparent velocity measurements for the lower mantle from a wide aperture array

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

Burdick, L.J.; Powell, C.

1980-07-10

The California Institute of Technology (CIT) operates a dense network of short-period vertical seismometers which we have used as a large seismic array to measure the azimuth of approach zeta and ray parameter dT/d..delta.. of teleseismic P waves. analysis of over 145 globally distributed events indicates that the zeta and dT/d..delta.. values measured by the array are in close agreement with the values predicted by the U.S. Geological Survey event locations. Most zeta anomalies (measured minus predicted values) do not exceed 1 /sup 0/. The small magnitude of the anomalies suggests that the measured dT/d..delta.. values can be used tomore » construct a radial velocity model for the lower mantle. The curve of dT/d..delta.. versus ..delta.. is in agreement with the curve determined for the Tonto Forest Seismological (TFSO) by Johnson (1969). The two curves differ in that there is not compelling evidence in the CIT data for first- or second-order discontinuities in the velocity gradient. It is shown that discontinuities in the dT/d..delta.. data proposed by Johnson near distances of 40.5, 49.5, 59.5, and 70.5 /sup 0/ are due to a strong dependence upon azimuth to source. The same least squares straight line can be fit through the CIT and TESO dT/d..delta.. values. Residuals from this straight line display the same azimuthal dependence at both arrays. A velocity-depth curve has been constructed by Weichert-Herglotz inversion of the CIT dT/d..delta.. data. A current upper mantle model for western North America was used as the top of the velocity profile. It is also shown that if fine structure does exist in the lower mantle velocity profile, the best way to find it may be through a combined amplitude-dT/d..delta.. study.« less

Influence of illuminants on the color distribution of shade guides.

PubMed

Park, Ji-Hoon; Lee, Yong-Keun; Lim, Bum-Soon

2006-12-01

Although a shade tab in a shade guide is matched to a natural tooth in the order of value, hue, and chroma, there are limited data on the color distribution of currently available shade guides sorted by these 3 parameters. Furthermore, spectrophotometric color measurements of shade tabs differ depending on the standard illuminant employed. The purpose of this study was to determine the color distributions of 2 shade guides in value (CIE L( *)), chroma (C( *)(ab)) and hue angle (h(o)) scale relative to the standard illuminants D(65), A, and F2. Color of shade tabs (n=36) from 2 shade guides (Vita Lumin and Chromascop) were measured, and the distributions for CIE L( *), C( *)(ab) and h(o) values were compared. Color differences of shade tabs depending on the illuminant were calculated. The distributions of the ratios of CIE L( *) and C( *)(ab) values of each shade tab compared with the lowest value tab or the lowest chroma tab were determined. The data for the value, chroma, and hue angle within each shade guide were analyzed with a 2-way ANOVA with the factors of shade designation and type of illuminant (alpha=.05). Color difference caused by change of illuminant was analyzed with a 2-way ANOVA with the factors of shade designation and pair of illuminants compared (alpha=.05). The Scheffe multiple comparison test was performed as a post hoc test. CIE L( *), C( *)(ab) and h(o) values were influenced by shade designation and type of illuminant in both shade guides. Color difference caused by change of the illuminant was influenced by the shade designation and pair of illuminants compared. The order of mean color differences of 16 Vita Lumin shade tabs by pairs of illuminants compared was as follows: DeltaE( *)(ab) (D(65)/F2) = 1.63 3.7). Color distribution of 2 shade guides by the value and chroma was not logical.

Influences of external vs. core-shell mixing on aerosol optical properties at various relative humidities.

PubMed

Ramachandran, S; Srivastava, Rohit

2013-05-01

Aerosol optical properties of external and core-shell mixtures of aerosol species present in the atmosphere are calculated in this study for different relative humidities. Core-shell Mie calculations are performed using the values of radii, refractive indices and densities of aerosol species that act as core and shell, and the core-shell radius ratio. The single scattering albedo (SSA) is higher when the absorbing species (black carbon, BC) is the core, while for a sulfate core SSA does not vary significantly as the BC in the shell dominates the absorption. Absorption gets enhanced in core-shell mixing of absorbing and scattering aerosols when compared to their external mixture. Thus, SSA is significantly lower for a core-shell mixture than their external mixture. SSA is more sensitive to core-shell ratio than mode radius when BC is the core. The extinction coefficient, SSA and asymmetry parameter are higher for external mixing when compared to BC (core)-water soluble aerosol (shell), and water soluble aerosol (core)-BC (shell) mixtures in the relative humidity range of 0 to 90%. Spectral SSA exhibits the behaviour of the species which acts as a shell in core-shell mixing. The asymmetry parameter for an external mixture of water soluble aerosol and BC is higher than BC (core)-water soluble aerosol (shell) mixing and increases as function of relative humidity. The asymmetry parameter for the water soluble aerosol (core)-BC (shell) is independent of relative humidity as BC is hydrophobic. The asymmetry parameter of the core-shell mixture decreases when BC aerosols are involved in mixing, as the asymmetry parameter of BC is lower. Aerosol optical depth (AOD) of core-shell mixtures increases at a higher rate when the relative humidity exceeds 70% in continental clean and urban aerosol models, whereas AOD remains the same when the relative humidity exceeds 50% in maritime aerosol models. The SSA for continental aerosols varies for core-shell mixing of water soluble aerosol (core)-shell (BC) when compared to their external mixture, while the SSA for maritime aerosols does not vary significantly for different mixing scenarios because of the dominance of sea salt aerosols. Thus, these results confirm that aerosol mixing can modify the physical and optical characteristics of aerosols, which vary as a function of relative humidity. These calculations will be useful in parameterising the effect of core-shell vs. external mixing of aerosols in global climate models, and in the evaluation of aerosol radiative effects.

Antisickling effects of 2,3-diphosphoglycerate depletion.

PubMed

Poillon, W N; Kim, B C; Labotka, R J; Hicks, C U; Kark, J A

1995-06-01

Elevation of 2,3-bisphosphoglycerate (2,3-DPG) in sickle erthrocytes (SS RBCs) and concomitant acidification of the cell interior promote polymerization by decreasing the solubility (csat) of deoxyhemoglobin S. The antisickling effect of 2,3-DPG depletion was evaluated after activation of the 2,3-DPG phosphatase activity of bisphosphoglycerate mutase by glycolate-2-phosphate, leading to rapid loss of intracellular 2,3-DPG. To ensure its maximal reduction in a physiologic medium, isosmotic CO2/bicarbonate-buffered saline, pH 7.0, was used. Substitution of K+ for Na+ as the major extracellular cation suppressed K:Cl cotransport, prevented cell shrinkage, and allowed demonstration of the full antisickling effect of 2,3-DPG depletion. The modest effect on solubility per se of removing intraerythrocytic 2,3-DPG (delta Csat = 1.6 g/dL) was amplified into a much larger antisickling effect by interaction with three other cellular variables affecting solubility and polymer content (intracellular pH, O2 saturation, and mean cell hemoglobin concentration). Acting in concert, these four antisickling effects (three solubilizing, one osmotic) reduced polymer fraction of glycolate-treated SS RBCs by 32% to 63%, with a concomitant decrease in sickling of 46% to 95% at the nominal pO2 of the microcirculation (20 mm Hg). A decrement in sickling of this magnitude should significantly ameliorate the vasoocclusive severity of sickle cell disease.

Radiocarbon and stable carbon isotope compositions of chemically fractionated soil organic matter in a temperate-zone forest.

PubMed

Koarashi, Jun; Iida, Takao; Asano, Tomohiro

2005-01-01

To better understand the role of soil organic matter in terrestrial carbon cycle, carbon isotope compositions in soil samples from a temperate-zone forest were measured for bulk, acid-insoluble and base-insoluble organic matter fractions separated by a chemical fractionation method. The measurements also made it possible to estimate indirectly radiocarbon ((14)C) abundances of acid- and base-soluble organic matter fractions, through a mass balance of carbon among the fractions. The depth profiles of (14)C abundances showed that (1) bomb-derived (14)C has penetrated the first 16cm mineral soil at least; (2) Delta(14)C values of acid-soluble organic matter fraction are considerably higher than those of other fractions; and (3) a significant amount of the bomb-derived (14)C has been preserved as the base-soluble organic matter around litter-mineral soil boundary. In contrast, no or little bomb-derived (14)C was observed for the base-insoluble fraction in all sampling depths, indicating that this recalcitrant fraction, accounting for approximately 15% of total carbon in this temperate-zone forest soil, plays a role as a long-term sink in the carbon cycle. These results suggest that bulk soil organic matter cannot provide a representative indicator as a source or a sink of carbon in soil, particularly on annual to decadal timescales.

Characterization of 2-(2-Methoxyethoxy)ethanol Substituted Phosphazene Polymers Using Pervaporation, Solubility Parameters and Sorption Studies

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

Orme, Christopher Joseph; Klaehn, John Ray; Harrup, Mason Kurt

Two linear phosphazene polymers were synthesized with differing amounts of hydrophilic 2-(2-methoxyethoxy)ethanol (MEE) and hydrophobic 4-methoxyphenol (MEOP) substituted on the backbone. These high polymers were cast into membranes and their permeability to water, methanol, ethanol, and 2-propanol was evaluated as a function of temperature. An additional polymer with a low content of MEE was studied for water permeation and was characterized by trace flux. At higher levels of MEE on the backbone, fluxes of all solvents increased. Solubility also was found to increase with increasing MEE content for all solvents except water. Unexpectedly, water was found to be less solublemore » in the higher MEE polymer, although higher membrane fluxes were observed. Diffusion coefficients showed the following trend: methanol 2-propanol > ethanol water. Finally, the affinity of solvents and polymers was discussed in terms of Hansen solubility parameters.« less

Equations for O2 and CO2 solubilities in saline and plasma: combining temperature and density dependences.

PubMed

Christmas, Kevin M; Bassingthwaighte, James B

2017-05-01

Solubilities of respiratory gasses in water, saline, and plasma decrease with rising temperatures and solute concentrations. Henry's Law, C = α·P, states that the equilibrium concentration of a dissolved gas is solubility times partial pressure. Solubilities in the water of a solution depend on temperature and the content of other solutes. Blood temperatures may differ more than 20°C between skin and heart, and an erythrocyte will undergo that range as blood circulates. The concentrations of O 2 and CO 2 are the driving forces for diffusion, exchanges, and for reactions. We provide an equation for O 2 and CO 2 solubilities, α, that allows for continuous changes in temperature, T, and solution density, ρ, in dynamically changing states:[Formula: see text]This two-exponential expression with a density scalar γ, and a density exponent β, accounts for solubility changes due to density changes of an aqueous solution. It fits experimental data on solubilities in water, saline, and plasma over temperatures from 20 to 40°C, and for plasma densities, ρ sol up to 1.020 g/ml with ~0.3% error. The amounts of additional bound O 2 (to Hb) and CO 2 (bicarbonate and carbamino) depend on the concentrations in the local water space and the reaction parameters. During exercise, solubility changes are large; both ρ sol and T change rapidly with spatial position and with time. In exercise hemoconcentration plasma, ρ sol exceeds 1.02, whereas T may range over 20°C. The six parameters for O 2 and the six for CO 2 are constants, so solubilities are calculable continuously as T and ρ sol change. NEW & NOTEWORTHY Solubilities for oxygen and carbon dioxide are dependent on the density of the solution, on temperature, and on the partial pressure. We provide a brief equation suitable for hand calculators or mathematical modeling, accounting for these factors over a wide range of temperatures and solution densities for use in rapidly changing conditions, such as extreme exercise or osmotic transients, with better than 0.5% accuracy. Copyright © 2017 the American Physiological Society.

Gels of ferulated arabinoxylans extracted from distillers dried grains with solubles: rheology, structural parameters and microstructure

USDA-ARS?s Scientific Manuscript database

One of the major by-products of bioethanol production is distillers dried grains with solubles (DDGS). Maize is one of the main sources for the production of this biofuel. In this way, dietary fiber represents the principal fraction of DDGS, which could be a potential source of added-value biomolecu...

Solubility and dissolution thermodynamics of phthalic anhydride in organic solvents at 283-313 K

NASA Astrophysics Data System (ADS)

Wang, Long; Zhang, Fang; Gao, Xiaoqiang; Luo, Tingliang; Xu, Li; Liu, Guoji

2017-08-01

The solubility of phthalic anhydride was measured at 283-313 K under atmospheric pressure in ethyl acetate, n-propyl acetate, methyl acetate, acetone, 1,4-dioxane, n-hexane, n-butyl acetate, cyclohexane, and dichloromethane. The solubility of phthalic anhydride in all solvents increased with the increasing temperature. The Van't Hoff equation, modified Apelblat equation, λ h equation, and Wilson model were used to correlate the experimental solubility data. The standard dissolution enthalpy, the standard entropy, and the standard Gibbs energy were evaluated based on the Van't Hoff analysis. The experimental data and model parameters would be useful for optimizing of the separation processes involving phthalic anhydride.

Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 2. Aqueous solubility, octanol solubility and octanol-water partition coefficient.

PubMed

Admire, Brittany; Lian, Bo; Yalkowsky, Samuel H

2015-01-01

The UPPER (Unified Physicochemical Property Estimation Relationships) model uses additive and non-additive parameters to estimate 20 biologically relevant properties of organic compounds. The model has been validated by Lian and Yalkowsky (2014) on a data set of 700 hydrocarbons. Recently, Admire et al. (2014) expanded the model to predict the boiling and melting points of 1288 polyhalogenated benzenes, biphenyls, dibenzo-p-dioxins, diphenyl ethers, anisoles and alkanes. In this work, 19 new group descriptors are determined and used to predict the aqueous solubilities, octanol solubilities and the octanol-water coefficients. Copyright © 2014 Elsevier Ltd. All rights reserved.

Coordination properties of tridentate (N,O,O) heterocyclic alcohol (PDC) with Cu(II). Mixed ligand complex formation reactions of Cu(II) with PDC and some bio-relevant ligands.

PubMed

El-Sherif, Ahmed A; Shoukry, Mohamed M

2007-03-01

The formation equilibria of copper(II) complexes and the ternary complexes Cu(PDC)L (PDC=2,6-bis-(hydroxymethyl)-pyridine, HL=amino acid, amides or DNA constituents) have been investigated. Ternary complexes are formed by a simultaneous mechanism. The results showed the formation of Cu(PDC)L, Cu(PDC, H(-1))(L) and Cu(PDC, H(-2))(L) complexes. The concentration distribution of the complexes in solution is evaluated as a function of pH. The effect of dioxane as a solvent on the protonation constant of PDC and the formation constants of Cu(II) complexes are discussed. The thermodynamic parameters DeltaH degrees and DeltaS degrees calculated from the temperature dependence of the equilibrium constants are investigated.

Experimental investigation of high-incidence delta-wing flow control

NASA Astrophysics Data System (ADS)

Buzica, Andrei; Bartasevicius, Julius; Breitsamter, Christian

2017-09-01

The possibility of extending the flight envelope for configurations with slender delta-shaped wings is investigated in this study by means of active flow control through pulsating jets from slot pairs distributed along the leading edge. The experiments comprise stereoscopic particle image velocimetry as well as force and moment measurements on a half-delta wing model. The analysis focuses on three high-incidence regimes: pre-stall, stall, and post-stall. This study also compares different perturbation methods: blowing with spatially constant and variable parameters, frequency and phase. At an incidence of 45°, the unison pulsed blowing facilitates the most significant flow transformation. Here, the separated shear layer reattaches on the wing's suction side, thus increasing the lift. Phase-averaged flow field measurements describe, in this particular case, the underlying physics of the flow-disturbance interaction.

River water quality and pollution sources in the Pearl River Delta, China.

PubMed

Ouyang, Tingping; Zhu, Zhaoyu; Kuang, Yaoqiu

2005-07-01

Some physicochemical parameters were determined for thirty field water samples collected from different water channels in the Pearl River Delta Economic Zone river system. The analytical results were compared with the environmental quality standards for surface water. Using the SPSS software, statistical analyses were performed to determine the main pollutants of the river water. The main purpose of the present research is to investigate the river water quality and to determine the main pollutants and pollution sources. Furthermore, the research provides some approaches for protecting and improving river water quality. The results indicate that the predominant pollutants are ammonium, phosphorus, and organic compounds. The wastewater discharged from households in urban and rural areas, industrial facilities, and non-point sources from agricultural areas are the main sources of pollution in river water in the Pearl River Delta Economic Zone.

Exercise-induced airway obstruction in young asthmatics measured by impulse oscillometry.

PubMed

Lee, J H; Lee, Y W; Shin, Y S; Jung, Y H; Hong, C S; Park, J W

2010-01-01

Impulse oscillometry (IOS) is a good method for measuring airway resistance. It does not require special breathing skills and it can reflect different aspects of airway obstruction to those revealed by spirometry, which is an effort-dependent maneuver. To evaluate the characteristics of airway obstruction in young asthmatics after an exercise bronchial provocation test (EBPT) using IOS. Forty-seven young adults were enrolled in the study. All the participants underwent a methacholine bronchial provocation test (MBPT) and an EBPT for the evaluation of their asthma. IOS and spirometric parameters were collected at baseline and at 0, 5, 10, 20, and 30 minutes post-EBPT.The participants were divided into 2 groups according to MBPT positivity: an airway hyperresponsiveness (AHR) group and a no-AHR group. There were differences in the percent decrease in forced expiratory volume in the first second (FEV1) between the 2 groups at 5, 10, and 20 minutes after exercise. Resistance at 5 Hz (R5) increased in the AHR group but not in the no-AHR group at 5 and 10 minutes after exercise. Integration of reactance from 5 Hz to resonance frequency (area of reactance, AX) was also increased in the AHR group at only 5 and 10 minutes post-EBPT. Delta R5 and delta AX at 5 and 10 minutes post-exercise were well correlated with the percent decrease in FEV1. IOS parameters, especially delta R5 and delta AX, may be useful for performing objective evaluations and improving our understanding of exercise-induced airway obstruction in young asthmatics.

Assessment of carotid stiffness and intima-media thickness from ultrasound data: comparison between two methods.

PubMed

Bianchini, Elisabetta; Bozec, Erwan; Gemignani, Vincenzo; Faita, Francesco; Giannarelli, Chiara; Ghiadoni, Lorenzo; Demi, Marcello; Boutouyrie, Pierre; Laurent, Stéphane

2010-08-01

Increased arterial stiffness and carotid intima-media thickness (IMT) are considered independent predictors of cardiovascular events. The aim of this study was to compare a system recently developed in our laboratory for automatic assessment of these parameters from ultrasound image sequences to a reference radio frequency (RF) echo-tracking system. Common carotid artery scans of 21 patients with cardiovascular risk factors and 12 healthy volunteers were analyzed by both devices for the assessment of diameter (D), IMT, and distension (DeltaD). In the healthy volunteers, analyses were repeated twice to evaluate intraobserver variability. Agreement was evaluated by Bland-Altman analysis, whereas reproducibility was expressed as a coefficient of variation (CV). Regarding the agreement between the two systems, bias values +/- SD were 0.060 +/- 0.110 mm for D, -0.006 +/- 0.039 mm for IMT, and -0.016 +/- 0.039 mm for DeltaD. Intraobserver CVs were 2% +/- 2% for D, 5% +/- 5% for IMT, and 6% +/- 6% for DeltaD with the RF echo-tracking system and 2% +/- 1% for D, 6% +/- 6% for IMT, and 8% +/- 6% for DeltaD with our automated system. Although B-mode-based devices are less precise than RF-based ones, our automated system has good agreement with the reference method and comparable reproducibility, at least when high-quality images are analyzed. Hence, this study suggests that the presented system based on image processing from standard ultrasound scans is a suitable device for measuring IMT and local arterial stiffness parameters in clinical studies.

Effect of esthetic core shades on the final color of IPS Empress all-ceramic crowns.

PubMed

Azer, Shereen S; Ayash, Ghada M; Johnston, William M; Khalil, Moustafa F; Rosenstiel, Stephen F

2006-12-01

Clinically relevant assessment of all-ceramic crowns supported by esthetic composite resin foundations has not been evaluated with regard to color reproducibility. This in vitro study quantitatively evaluated the influence of different shades of composite resin foundations and resin cement on the final color of a leucite-reinforced all-ceramic material. A total of 128 disks were fabricated; 64 (20 x 1 mm) were made of all-ceramic material (IPS Empress) and 64 (20 x 4 mm) of 4 different shades composite resin (Tetric Ceram). The ceramic and composite resin disks were luted using 2 shades (A3 and Transparent) of resin cement (Variolink II). Color was measured using a colorimeter configured with a diffuse illumination/0-degree viewing geometry, and Commission Internationale de l'Eclairage (CIE) L( *)a( *)b( *) values were directly calculated. Descriptive statistical analysis was performed, and color differences (DeltaE) for the average L( *), a( *) and b( *) color parameters were calculated. Repeated measures analysis of variance (ANOVA) was used to compare mean values and SDs between the different color combinations (alpha=.05). The CIE L( *)a( *)b( *) color coordinate values showed no significant differences for variation in color parameters due to the effect of the different composite resin shades (P=.24) or cement shades (P=.12). The mean color difference (DeltaE) value between the groups was 0.8. Within the limitations of this study, the use of different shades for composite resin cores and resin cements presented no statistically significant effect on the final color of IPS Empress all-ceramic material.

Compositional Data for Bengal Delta Sediment Collected from a Borehole at Rajoir, Bangladesh

USGS Publications Warehouse

Breit, George N.; Yount, James C.; Uddin, Md. Nehal; Muneem, Ad. Atual; Lowers, Heather; Berry, Cyrus J.; Whitney, John W.

2007-01-01

Processes active within sediment of the Bengal basin have attracted world concern because of the locally high content of arsenic dissolved in ground water drawn from that sediment. Sediment samples were collected from a borehole in the town of Rajoir, Rajoir upazila, Madaripur district, Bangladesh, to investigate the processes contributing to arsenic contamination. The samples were mineralogically and chemically analyzed to determine compositional variations related to the arsenic content of the sediment. Mineralogy of the sediment was determined using powder X-ray diffraction. Bulk chemical composition was measured by Combustion; Inductively Coupled Plasma Atomic Emission Spectroscopy; Energy Dispersive X-ray Fluorescence; and Hydride Generation Atomic Absorption Spectrophotometry. Sediment was treated with 0.5 N HCl and resulting solutions were analyzed, primarily to evaluate the abundance and oxidation state of acid-soluble iron. Acid-volatile sulfide, acid-soluble sulfate, and reducible sulfide were also measured on a few samples. Sediment sampled at Rajoir is typically unlithified, gray, micaceous, feldspathic arenaceous sand with a few silt and clay layers. Arsenic content of the sediment ranges from 0.6 to 21 ppm with a median of 1.2 ppm.

Delta opioid receptor on equine sperm cells: subcellular localization and involvement in sperm motility analyzed by computer assisted sperm analyzer (CASA)

PubMed Central

2010-01-01

Background Opioid receptors and endogenous opioid peptides act not only in the control of nociceptive pathways, indeed several reports demonstrate the effects of opiates on sperm cell motility and morphology suggesting the importance of these receptors in the modulation of reproduction in mammals. In this study we investigated the expression of delta opioid receptors on equine spermatozoa by western blot/indirect immunofluorescence and its relationship with sperm cell physiology. Methods We analyzed viability, motility, capacitation, acrosome reaction and mitochondrial activity in the presence of naltrindole and DPDPE by means of a computer assisted sperm analyzer and a fluorescent confocal microscope. The evaluation of viability, capacitation and acrosome reaction was carried out by the double CTC/Hoechst staining, whereas mitochondrial activity was assessed by means of MitoTracker Orange dye. Results We showed that in equine sperm cells, delta opioid receptor is expressed as a doublet of 65 and 50 kDa molecular mass and is localized in the mid piece of tail; we also demonstrated that naltrindole, a delta opioid receptor antagonist, could be utilized in modulating several physiological parameters of the equine spermatozoon in a dose-dependent way. We also found that low concentrations of the antagonist increase sperm motility whereas high concentrations show the opposite effect. Moreover low concentrations hamper capacitation, acrosome reaction and viability even if the percentage of cells with active mitochondria seems to be increased; the opposite effect is exerted at high concentrations. We have also observed that the delta opioid receptor agonist DPDPE is scarcely involved in affecting the same parameters at the employed concentrations. Conclusions The results described in this paper add new important details in the comprehension of the mammalian sperm physiology and suggest new insights for improving reproduction and for optimizing equine breeding. PMID:20579355

Construction of drug-polymer thermodynamic phase diagrams using Flory-Huggins interaction theory: identifying the relevance of temperature and drug weight fraction to phase separation within solid dispersions.

PubMed

Tian, Yiwei; Booth, Jonathan; Meehan, Elizabeth; Jones, David S; Li, Shu; Andrews, Gavin P

2013-01-07

Amorphous drug-polymer solid dispersions have the potential to enhance the dissolution performance and thus bioavailability of BCS class II drug compounds. The principle drawback of this approach is the limited physical stability of amorphous drug within the dispersion. Accurate determination of the solubility and miscibility of drug in the polymer matrix is the key to the successful design and development of such systems. In this paper, we propose a novel method, based on Flory-Huggins theory, to predict and compare the solubility and miscibility of drug in polymeric systems. The systems chosen for this study are (1) hydroxypropyl methylcellulose acetate succinate HF grade (HPMCAS-HF)-felodipine (FD) and (2) Soluplus (a graft copolymer of polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol)-FD. Samples containing different drug compositions were mixed, ball milled, and then analyzed by differential scanning calorimetry (DSC). The value of the drug-polymer interaction parameter χ was calculated from the crystalline drug melting depression data and extrapolated to lower temperatures. The interaction parameter χ was also calculated at 25 °C for both systems using the van Krevelen solubility parameter method. The rank order of interaction parameters of the two systems obtained at this temperature was comparable. Diagrams of drug-polymer temperature-composition and free energy of mixing (ΔG(mix)) were constructed for both systems. The maximum crystalline drug solubility and amorphous drug miscibility may be predicted based on the phase diagrams. Hyper-DSC was used to assess the validity of constructed phase diagrams by annealing solid dispersions at specific drug loadings. Three different samples for each polymer were selected to represent different regions within the phase diagram.

Pion-nucleon scattering in covariant baryon chiral perturbation theory with explicit Delta resonances

NASA Astrophysics Data System (ADS)

Yao, De-Liang; Siemens, D.; Bernard, V.; Epelbaum, E.; Gasparyan, A. M.; Gegelia, J.; Krebs, H.; Meißner, Ulf-G.

2016-05-01

We present the results of a third order calculation of the pion-nucleon scattering amplitude in a chiral effective field theory with pions, nucleons and delta resonances as explicit degrees of freedom. We work in a manifestly Lorentz invariant formulation of baryon chiral perturbation theory using dimensional regularization and the extended on-mass-shell renormalization scheme. In the delta resonance sector, the on mass-shell renormalization is realized as a complex-mass scheme. By fitting the low-energy constants of the effective Lagrangian to the S- and P -partial waves a satisfactory description of the phase shifts from the analysis of the Roy-Steiner equations is obtained. We predict the phase shifts for the D and F waves and compare them with the results of the analysis of the George Washington University group. The threshold parameters are calculated both in the delta-less and delta-full cases. Based on the determined low-energy constants, we discuss the pion-nucleon sigma term. Additionally, in order to determine the strangeness content of the nucleon, we calculate the octet baryon masses in the presence of decuplet resonances up to next-to-next-to-leading order in SU(3) baryon chiral perturbation theory. The octet baryon sigma terms are predicted as a byproduct of this calculation.

Application of statistical experimental design for optimisation of bioinsecticides production by sporeless Bacillus thuringiensis strain on cheap medium.

PubMed

Ben Khedher, Saoussen; Jaoua, Samir; Zouari, Nabil

2013-01-01

In order to overproduce bioinsecticides production by a sporeless Bacillus thuringiensis strain, an optimal composition of a cheap medium was defined using a response surface methodology. In a first step, a Plackett-Burman design used to evaluate the effects of eight medium components on delta-endotoxin production showed that starch, soya bean and sodium chloride exhibited significant effects on bioinsecticides production. In a second step, these parameters were selected for further optimisation by central composite design. The obtained results revealed that the optimum culture medium for delta-endotoxin production consists of 30 g L(-1) starch, 30 g L(-1) soya bean and 9 g L(-1) sodium chloride. When compared to the basal production medium, an improvement in delta-endotoxin production up to 50% was noted. Moreover, relative toxin yield of sporeless Bacillus thuringiensis S22 was improved markedly by using optimised cheap medium (148.5 mg delta-endotoxins per g starch) when compared to the yield obtained in the basal medium (94.46 mg delta-endotoxins per g starch). Therefore, the use of optimised culture cheap medium appeared to be a good alternative for a low cost production of sporeless Bacillus thuringiensis bioinsecticides at industrial scale which is of great importance in practical point of view.

Mechanism of di-tert-butylsilylene transfer from a silacyclopropane to an alkene.

PubMed

Driver, Tom G; Woerpel, K A

2003-09-03

Kinetic and thermodynamic studies of the reactions of cyclohexene silacyclopropane 1 and monosubstituted alkenes suggested a possible mechanism for di-tert-butylsilylene transfer. The kinetic order in cyclohexene silacyclopropane 1 and cyclohexene were determined to be 1 and -1, respectively. Saturation kinetic behavior in monosubstituted alkene concentration was observed. Competition experiments between substituted styrenes and a deficient amount of di-tert-butylsilylene from 1 correlated well with the Hammett equation and provided a rho value of -0.666 +/- 0.008, using sigma(p) constants. These data supported a two-step mechanism involving reversible di-tert-butylsilylene extrusion from 1, followed by irreversible concerted electrophilic attack of the silylene on the monosubstituted alkene. Eyring activation parameters were found to be DeltaH++ = 22.1 +/- 0.9 kcal.mol(-1) and DeltaS++ = -15 +/- 2 eu. Competition experiments between cycloalkenes and allylbenzene determined cycloalkenes to be more efficient silylene traps (k(rel) =1.3, DeltaDeltaG++ = 0.200 kcal.mol(-1)). A summary of the data resulted in a postulated reaction coordinate diagram. The mechanistic studies enabled rational modification of reaction conditions that improved the synthetic utility of silylene transfer. Removal of the volatile cyclohexene from the reaction mixture into an evacuated headspace led to the formation of previously inaccessible cyclohexene-derived silacyclopropanes.

Application of statistical experimental design for optimisation of bioinsecticides production by sporeless Bacillus thuringiensis strain on cheap medium

PubMed Central

Ben Khedher, Saoussen; Jaoua, Samir; Zouari, Nabil

2013-01-01

In order to overproduce bioinsecticides production by a sporeless Bacillus thuringiensis strain, an optimal composition of a cheap medium was defined using a response surface methodology. In a first step, a Plackett-Burman design used to evaluate the effects of eight medium components on delta-endotoxin production showed that starch, soya bean and sodium chloride exhibited significant effects on bioinsecticides production. In a second step, these parameters were selected for further optimisation by central composite design. The obtained results revealed that the optimum culture medium for delta-endotoxin production consists of 30 g L−1 starch, 30 g L−1 soya bean and 9 g L−1 sodium chloride. When compared to the basal production medium, an improvement in delta-endotoxin production up to 50% was noted. Moreover, relative toxin yield of sporeless Bacillus thuringiensis S22 was improved markedly by using optimised cheap medium (148.5 mg delta-endotoxins per g starch) when compared to the yield obtained in the basal medium (94.46 mg delta-endotoxins per g starch). Therefore, the use of optimised culture cheap medium appeared to be a good alternative for a low cost production of sporeless Bacillus thuringiensis bioinsecticides at industrial scale which is of great importance in practical point of view. PMID:24516462

Formulation of thermoresponsive and buccal adhesive in situ gel for treatment of oral thrush containing poorly water soluble drug bifonazole.

PubMed

Patel, Dimendra; Patel, Dipti; Prajapati, Jatin; Patel, Umang; Patel, Vijay

2012-03-01

The aim of the present work is to formulate and evaluate in situ oral topical gels of poorly water soluble drug Bifonazole based on temperature induced systems for the treatment of oral candidiasis. Bifonazole is poorly water soluble and low permeable drug means it's belongs to BCS Class IV. Due to its poor water solubility, it necessary to enhance solubility in water by make complex with Beta- Cyclodextrin (Drug to βCyclo Dextrine ratio is 1:1). After in situ gel preparation done by using Poloxamer (10% and 15%w/w) along with carbopol 934 (0.2 to 1.0% w/w) and Bifonazole - β CD complex (1%w/w). The formulations were evaluated for physiochemical parameter, gelation Temperature, viscosity, gel strength, content uniformity mucoadhesive force, Diffusion Study.

Formulation of thermoresponsive and buccal adhesive in situ gel for treatment of oral thrush containing poorly water soluble drug bifonazole

PubMed Central

Patel, Dimendra; Patel, Dipti; Prajapati, Jatin; Patel, Umang; Patel, Vijay

2012-01-01

The aim of the present work is to formulate and evaluate in situ oral topical gels of poorly water soluble drug Bifonazole based on temperature induced systems for the treatment of oral candidiasis. Bifonazole is poorly water soluble and low permeable drug means it's belongs to BCS Class IV. Due to its poor water solubility, it necessary to enhance solubility in water by make complex with Beta- Cyclodextrin (Drug to βCyclo Dextrine ratio is 1:1). After in situ gel preparation done by using Poloxamer (10% and 15%w/w) along with carbopol 934 (0.2 to 1.0% w/w) and Bifonazole – β CD complex (1%w/w). The formulations were evaluated for physiochemical parameter, gelation Temperature, viscosity, gel strength, content uniformity mucoadhesive force, Diffusion Study. PMID:23066185

Kinetic and thermodynamic studies on the adsorption of anionic surfactant on quaternary ammonium cationic cellulose.

PubMed

Zhang, Yuanzhang; Shi, Wenjian; Zhou, Hualan; Fu, Xing; Chen, Xuan

2010-06-01

Removal of anionic surfactants from aqueous solutions by adsorption onto quaternary ammonium cationic cellulose (QACC) was investigated. The effects of solution acidity, initial concentration, adsorption time, and temperature on the adsorption of sodium dodecyl-benzene sulfonate (SDBS), sodium lauryl sulfate (SLS), and sodium dodecyl sulfonate (SDS) were studied. The kinetic experimental data fit well with the pseudo-second-order model; the rate constant of the adsorption increased with temperature. The values of apparent activation energy for the adsorption were calculated as ranging from 10.2 to 17.4 kJ/ mol. The adsorption isotherm can be described by the Langmuir isotherm. The values of thermodynamic parameters (deltaH0, deltaS0, and deltaG0) for the adsorption indicated that this process was spontaneous and endothermic. At 318 K, the saturated adsorption capacities of QACC for SDBS, SLS, and SDS were 1.75, 1.53, and 1.39 mmol/g, respectively. The adsorption process was mainly chemisorption and partially physisorption. The results show that QACC is effective for the removal of anionic surfactants.

Combined fast multipole-QR compression technique for solving electrically small to large structures for broadband applications

NASA Technical Reports Server (NTRS)

Jandhyala, Vikram (Inventor); Chowdhury, Indranil (Inventor)

2011-01-01

An approach that efficiently solves for a desired parameter of a system or device that can include both electrically large fast multipole method (FMM) elements, and electrically small QR elements. The system or device is setup as an oct-tree structure that can include regions of both the FMM type and the QR type. An iterative solver is then used to determine a first matrix vector product for any electrically large elements, and a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large elements and the electrically small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter.

Glucono-delta-lactone and citric acid as acidulants for lowering the heat resistance of Clostridium sporogenes PA 3679 in HTST working conditions.

PubMed

Silla Santos, M H; Torres Zarzo, J

1995-04-01

The heat resistance of Clostridium sporogenes PA 3679 spores has been studied to establish the influence of acidification with glucono-delta-lactone (GDL) and citric acid on the thermal resistance parameters (DT and z) of this microorganism and to compare their effect with phosphate buffer and natural asparagus as reference substrates. A reduction in DT values was observed in asparagus purée as the acidification level increased with both acidulants although this effect was more evident at the lower treatment temperatures studied (121-127 degrees C). Citric acid was more effective for reducing the heat resistance of spores than GDL at all of the temperatures. The reduction in pH diminished the value of the z parameter, although it was necessary to lower the pH to 4.5 to obtain a significant reduction.

Critical system issues and modeling requirements: The problem of beam energy sweep in an electron linear induction accelerator

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

Turner, W.C.; Barrett, D.M.; Sampayan, S.E.

1990-08-06

In this paper we discuss system issues and modeling requirements within the context of energy sweep in an electron linear induction accelerator. When needed, particular parameter values are taken from the ETA-II linear induction accelerator at Lawrence Livermore National Laboratory. For this paper, the most important parameter is energy sweep during a pulse. It is important to have low energy sweep to satisfy the FEL resonance condition and to limit the beam corkscrew motion. It is desired to achieve {Delta}E/E = {plus minus}1% for a 50-ns flattop whereas the present level of performance is {Delta}E/E = {plus minus}1% in 10more » ns. To improve this situation we will identify a number of areas in which modeling could help increase understanding and improve our ability to design linear induction accelerators.« less

Theoretical Advances in Sequential Data Assimilation for the Atmosphere and Oceans

NASA Astrophysics Data System (ADS)

Ghil, M.

2007-05-01

We concentrate here on two aspects of advanced Kalman--filter-related methods: (i) the stability of the forecast- assimilation cycle, and (ii) parameter estimation for the coupled ocean-atmosphere system. The nonlinear stability of a prediction-assimilation system guarantees the uniqueness of the sequentially estimated solutions in the presence of partial and inaccurate observations, distributed in space and time; this stability is shown to be a necessary condition for the convergence of the state estimates to the true evolution of the turbulent flow. The stability properties of the governing nonlinear equations and of several data assimilation systems are studied by computing the spectrum of the associated Lyapunov exponents. These ideas are applied to a simple and an intermediate model of atmospheric variability and we show that the degree of stabilization depends on the type and distribution of the observations, as well as on the data assimilation method. These results represent joint work with A. Carrassi, A. Trevisan and F. Uboldi. Much is known by now about the main physical mechanisms that give rise to and modulate the El-Nino/Southern- Oscillation (ENSO), but the values of several parameters that enter these mechanisms are an important unknown. We apply Extended Kalman Filtering (EKF) for both model state and parameter estimation in an intermediate, nonlinear, coupled ocean-atmosphere model of ENSO. Model behavior is very sensitive to two key parameters: (a) "mu", the ocean-atmosphere coupling coefficient between the sea-surface temperature (SST) and wind stress anomalies; and (b) "delta-s", the surface-layer coefficient. Previous work has shown that "delta- s" determines the period of the model's self-sustained oscillation, while "mu' measures the degree of nonlinearity. Depending on the values of these parameters, the spatio-temporal pattern of model solutions is either that of a delayed oscillator or of a westward propagating mode. Assimilation of SST data from the NCEP- NCAR Reanalysis-2 shows that the parameters can vary on fairly short time scales and switch between values that approximate the two distinct modes of ENSO behavior. Rapid adjustments of these parameters occur, in particular, during strong ENSO events. Ways to apply EKF parameter estimation efficiently to state-of-the-art coupled ocean-atmosphere GCMs will be discussed. These results arise from joint work with D. Kondrashov and C.-j. Sun.

Intrinsic and extrinsic uncoupling of oxidative phosphorylation.

PubMed

Kadenbach, Bernhard

2003-06-05

This article reviews parameters of extrinsic uncoupling of oxidative phosphorylation (OxPhos) in mitochondria, based on induction of a proton leak across the inner membrane. The effects of classical uncouplers, fatty acids, uncoupling proteins (UCP1-UCP5) and thyroid hormones on the efficiency of OxPhos are described. Furthermore, the present knowledge on intrinsic uncoupling of cytochrome c oxidase (decrease of H(+)/e(-) stoichiometry=slip) is reviewed. Among the three proton pumps of the respiratory chain of mitochondria and bacteria, only cytochrome c oxidase is known to exhibit a slip of proton pumping. Intrinsic uncoupling was shown after chemical modification, by site-directed mutagenesis of the bacterial enzyme, at high membrane potential DeltaPsi, and in a tissue-specific manner to increase thermogenesis in heart and skeletal muscle by high ATP/ADP ratios, and in non-skeletal muscle tissues by palmitate. In addition, two mechanisms of respiratory control are described. The first occurs through the membrane potential DeltaPsi and maintains high DeltaPsi values (150-200 mV). The second occurs only in mitochondria, is suggested to keep DeltaPsi at low levels (100-150 mV) through the potential dependence of the ATP synthase and the allosteric ATP inhibition of cytochrome c oxidase at high ATP/ADP ratios, and is reversibly switched on by cAMP-dependent phosphorylation. Finally, the regulation of DeltaPsi and the production of reactive oxygen species (ROS) in mitochondria at high DeltaPsi values (150-200 mV) are discussed.

Efficient retention of mud drives land building on the Mississippi Delta plain

NASA Astrophysics Data System (ADS)

Esposito, Christopher R.; Shen, Zhixiong; Törnqvist, Torbjörn E.; Marshak, Jonathan; White, Christopher

2017-07-01

Many of the world's deltas - home to major population centers - are rapidly degrading due to reduced sediment supply, making these systems less resilient to increasing rates of relative sea-level rise. The Mississippi Delta faces some of the highest rates of wetland loss in the world. As a result, multibillion dollar plans for coastal restoration by means of river diversions are currently nearing implementation. River diversions aim to bring sediment back to the presently sediment-starved delta plain. Within this context, sediment retention efficiency (SRE) is a critical parameter because it dictates the effectiveness of river diversions. Several recent studies have focused on land building along the open coast, showing SREs ranging from 5 to 30 %. Here we measure the SRE of a large relict crevasse splay in an inland, vegetated setting that serves as an appropriate model for river diversions. By comparing the mass fraction of sand in the splay deposit to the estimated sand fraction that entered it during its life cycle, we find that this mud-dominated sediment body has an SRE of ≥ 75 %, i.e., dramatically higher than its counterparts on the open coast. Our results show that transport pathways for mud are critical for delta evolution and that SRE is highly variable across a delta. We conclude that sediment diversions located in settings that are currently still vegetated are likely to be the most effective in mitigating land loss and providing long-term sustainability.

Masses and ages of Delta Scuti stars in eclipsing binary systems

NASA Astrophysics Data System (ADS)

Tsvetkov, Ts. G.; Petrova, Ts. C.

1993-05-01

By using data mainly from Frolov et al. (1982) for four Delta Scuti stars in eclipsing binary systems, AB Cas, Y Cam, RS Cha, and AI Hya, their physical parameters, distances, and radial pulsation modes are determined. The evolutionary track systems of Iben (1967), Paczynski (1970), and Maeder and Meynet (1988) are interpolated in order to estimate evolutionary masses Me and ages t of these variables. Their pulsation masses MQ are estimated from the fitting formulae of Faulkner (1977) and Fitch (1981). Our estimates of evolutionary masses M(e) and pulsation masses M(Q) are close to the masses M determined by Frolov et al. from the star binarity. The only exception is AB Cas, for which there is no agreement between certain star parameters. Another, independent approach is also applied to the stars RS Cha and AI Hya: by using their photometric indices b - y and c(1) from the catalog of Lopez de Coca et al. (1990) and appropriate photometric calibrations, other sets of physical parameters, distances, modes, ages, and evolutionary and pulsation masses of both variables are obtained.

Mapping Robinia pseudoacacia forest health in the Yellow River delta by using high-resolution IKONOS imagery and object-based image analysis

NASA Astrophysics Data System (ADS)

Wang, Hong; Lu, Kaiyu; Pu, Ruiliang

2016-10-01

The Robinia pseudoacacia forest in the Yellow River delta of China has been planted since the 1970s, and a large area of dieback of the forest has occurred since the 1990s. To assess the condition of the R. pseudoacacia forest in three forest areas (i.e., Gudao, Machang, and Abandoned Yellow River) in the delta, we combined an estimation of scale parameters tool and geometry/topology assessment criteria to determine the optimal scale parameters, selected optimal predictive variables determined by stepwise discriminant analysis, and compared object-based image analysis (OBIA) and pixel-based approaches using IKONOS data. The experimental results showed that the optimal segmentation scale is 5 for both the Gudao and Machang forest areas, and 12 for the Abandoned Yellow River forest area. The results produced by the OBIA method were much better than those created by the pixel-based method. The overall accuracy of the OBIA method was 93.7% (versus 85.4% by the pixel-based) for Gudao, 89.0% (versus 72.7%) for Abandoned Yellow River, and 91.7% (versus 84.4%) for Machang. Our analysis results demonstrated that the OBIA method was an effective tool for rapidly mapping and assessing the health levels of forest.

Determination of kinetic and equilibrium parameters of the batch adsorption of Mn(II), Co(II), Ni(II) and Cu(II) from aqueous solution by black carrot (Daucus carota L.) residues.

PubMed

Güzel, Fuat; Yakut, Hakan; Topal, Giray

2008-05-30

In this study, the effect of temperature on the adsorption of Mn(II), Ni(II), Co(II) and Cu(II) from aqueous solution by modified carrot residues (MCR) was investigated. The equilibrium contact times of adsorption process for each heavy metals-MCR systems were determined. Kinetic data obtained for each heavy metal by MCR at different temperatures were applied to the Lagergren equation, and adsorption rate constants (kads) at these temperatures were determined. These rate constants related to the adsorption of heavy metal by MCR were applied to the Arrhenius equation, and activation energies (Ea) were determined. In addition, the isotherms for adsorption of each heavy metal by MCR at different temperatures were also determined. These isothermal data were applied to linear forms of isotherm equations that they fit the Langmuir adsorption isotherm, and the Langmuir constants (qm and b) were calculated. b constants determined at different temperatures were applied to thermodynamic equations, and thermodynamic parameters such as enthalpy (Delta H), free energy (Delta G), and entropy (Delta S) were calculated and these values show that adsorption of heavy metal on MCR was an endothermic process and process of adsorption was favoured at high temperatures.

Determination of the dissociation constants (pKa) of secondary and tertiary amines in organic media by capillary electrophoresis and their role in the electrophoretic mobility order inversion.

PubMed

Cantu, Marcelo Delmar; Hillebranda, Sandro; Carrilho, Emanuel

2005-03-11

Non-aqueous capillary electrophoresis (NACE) may provide a selectivity enhancement in separations since the analyte dissociation constants (pKa) in organic media are different from those in aqueous solutions. In this work, we have studied the inversion in mobility order observed in the separation of tertiary (imipramine (IMI) and amitryptiline (AMI)) and secondary amines (desipramine (DES) and nortryptiline (NOR)) in water, methanol, and acetonitrile. We have determined the pKa values in those solvents and the variation of dissociation constants with the temperature. From these data, and applying the Van't Hoff equation, we have calculated the thermodynamic parameters deltaH and deltaS. The pKa values found in methanol for DES, NOR, IMI, and AMI were 10.80, 10.79, 10.38, and 10.33, respectively. On the other hand, in acetonitrile an opposite relation was found since the values were 20.60, 20.67, 20.74, and 20.81 for DES, NOR, IMI, and AMI. This is the reason why a migration order inversion is observed in NACE for these solvents. The thermodynamic parameters were evaluated and presented a tendency that can be correlated with that observed for pKa values.

Estimates of genetic parameters for chemical traits of meat quality in Japanese black cattle

PubMed Central

Sakuma, Hironori; Saito, Kaoru; Kohira, Kimiko; Ohhashi, Fumie; Shoji, Noriaki

2016-01-01

Abstract Genetic parameters for 54 carcass and chemical traits, such as general composition (moisture, crude fat and crude protein), fatty acid composition and water‐soluble compounds (free amino acids, peptides, nucleotides and sugars) of 587 commercial Japanese Black cattle were assessed. Heritability estimates for carcass traits and general composition ranged between 0.19–0.28, whereas those for fatty acid composition ranged between 0.11–0.85. Most heritability estimates for water‐soluble compounds were lower than 0.30; these traits were affected by aging period. Moderate heritability was observed for glutamine, alanine, taurine, anserine, inosine 5′‐monophosphate (IMP), inosine and myo‐inositol. In particular, heritability estimates were the highest (0.66) for taurine. Traits with moderate heritability were unaffected by aging period, with the exception of IMP, which was affected by aging period but exhibited moderate heritability (0.47). Although phenotypic correlations of water‐soluble compounds with carcass weight (CW), beef marbling standard (BMS) and monounsaturated fatty acid were generally low, genetic correlations between these traits were low to high. At the genetic level, most of the water‐soluble compounds were positively correlated with monounsaturated fatty acid but negatively correlated with CW and BMS. Thus, our results indicate that genetic variance and correlations could exist and be captured for some of the water‐soluble compounds. PMID:27146072

Novel nano-particles as fillers for an experimental resin-based restorative material.

PubMed

Rüttermann, S; Wandrey, C; Raab, W H-M; Janda, R

2008-11-01

The purpose of this study is to compare the properties of two experimental materials, nano-material (Nano) and Microhybrid, and two trade products, Clearfil AP-X and Filtek Supreme XT. The flexural strength and modulus after 24h water storage and 5000 thermocycles, water sorption, solubility and X-ray opacity were determined according to ISO 4049. The volumetric behavior (DeltaV) after curing and after water storage was investigated with the Archimedes principle. ANOVA was calculated with p<0.05. Clearfil AP-X showed the highest flexural strength (154+/-14 MPa) and flexural modulus (11,600+/-550 MPa) prior to and after thermocycling (117+/-14 MPa and 13,000+/-300 MPa). The flexural strength of all materials decreased after thermocycling, but the flexural modulus decreased only for Filtek Supreme XT. After thermocycling, there were no significant differences in flexural strength and modulus between Filtek Supreme XT, Microhybrid and Nano. Clearfil AP-X had the lowest water sorption (22+/-1.1 microg mm(-3)) and Nano had the highest water sorption (82+/-2.6 microg mm(-3)) and solubility (27+/-2.9 microg mm(-3)) of all the materials. No significant differences occurred between the solubility of Clearfil AP-X, Filtek Supreme XT and Microhybrid. Microhybrid and Nano provided the highest X-ray opacity. Owing to the lower filler content, Nano showed higher shrinkage than the commercial materials. Nano had the highest expansion after water storage. After thermocycling, Nano performed as well as Filtek Supreme XT for flexural strength, even better for X-ray opacity but significantly worse for flexural modulus, water sorption and solubility. The performances of microhybrids were superior to those of the nano-materials.

Efficacy of soluble glycoprotein fraction from Allium sativum purified by size exclusion chromatography on murine Schistosomiasis mansoni.

PubMed

Aly, Ibrahim; Taher, Eman E; El-Sayed, Hoda; Mohammed, Faten A; ELnain, Gehan; Hamad, Rabab S; Bayoumy, Elsayed M

2017-06-01

In this work, the efficiency of crude MeOH extracts and soluble glycoprotein fraction of Allium sativum purified by size-exclusion chromatography (SEC) on parasitological, histopathological and some biochemical parameters in Schistosoma mansoni infected mice were investigated. Animals were infected by tail immersion with 100 cercariae/each mouse and divided into five groups in addition to the normal control. The results revealed a significant decrease in mean worm burden in all treated mice especially in the group treated with soluble glycoprotein fraction of A. sativum as compared to infected non-treated control with the disappearance of female worms. Administration of the studied extracts revealed remarkable amelioration in the levels of all the measured parameters in S. mansoni infected mice. In addition, treatment of mice with crude A. sativum MeOH extract and soluble glycoprotein fraction of A. sativum decreased significantly the activities of studied enzymes as compared to the infected untreated group. The highest degrees of enhancement in pathological changes was observed in the treated one with soluble glycoprotein fraction of A. sativum compared to the infected group represented by small sized, late fibro-cellular granuloma, the decrease in cellular constituents and degenerative changes in eggs. In conclusion, A. sativum treatment had effective schistosomicidal activities, through reduction of worm burden and tissue eggs, especially when it was given in purified glycoprotein fraction. Moreover, the soluble glycoprotein fraction of A. sativum largely modulates both the size and the number of granulomas. Copyright © 2017 Elsevier Ltd. All rights reserved.

Trace-fossil and storm-deposit relationships of San Carlos formation, west Texas

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

Metz, C.L.; Bednarski, S.P.

1986-05-01

Two distinct assemblages of trace fossils are preserved in the storm deposits in delta-front facies of the Upper Cretaceous San Carlos Formation, west Texas. The assemblages represent two widely differing responses to storm deposition and sediment-trace-fossil relationships, indicating that other environmental parameters, probably water depth and oxygen levels, influenced trace-fossil distribution within the San Carlos delta front. Evidence of the storm-deposited nature of the sandstones includes a scoured basal contact, planar to hummocky cross-stratification, and a upper contact that is either ripple marked or is gradational with overlying shales.

[Color stability of porcelain-fused-to-titanium restorations after repeated firings].

PubMed

Wu, Xiao-min; Zhou, Zheng

2004-08-01

To study the effect of repeated firings on color of porcelain-fused-to-titanium restorations. Twenty standard porcelain-fused-to-titanium specimens were made with Dentsply DETREY TiBond C3 and Dentaurum rematitan Til. Then they were fired 1, 2, 4, 7, and 10 times. Color measurement was done after each firing. Most of the color parameters had no significant difference after firing except for a* and Hab. All the color difference among groups were smaller than 1.0 (deltaE < 1.0). Repeated firings will not affect the color stability of porcelain-fused-to-titanium restorations.

Relation between the /ital T//sub /ital c// degradation and the correlation gap in disordered superconductors

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

Belitz, D.

1989-07-01

It is shown theoretically that for both bulk and thin-film superconductorsthe dominant contributions to the disorder-induced degradation of/ital T//sub /ital c// can be expressed in terms of the disorder-induced suppression/delta//ital N/ of the normal-state electronic density of states. This explains thecorrelation found experimentally between /ital T//sub /ital c// and /delta//ital N/, and iteliminates the resistivity scale as an adjustable parameter for comparisonbetween theory and experiment. Agreement with recent experimental results on Pbis very good. We also discuss the disorder dependence of the superconductinggap.

Computer program for supersonic Kernel-function flutter analysis of thin lifting surfaces

NASA Technical Reports Server (NTRS)

Cunningham, H. J.

1974-01-01

This report describes a computer program (program D2180) that has been prepared to implement the analysis described in (N71-10866) for calculating the aerodynamic forces on a class of harmonically oscillating planar lifting surfaces in supersonic potential flow. The planforms treated are the delta and modified-delta (arrowhead) planforms with subsonic leading and supersonic trailing edges, and (essentially) pointed tips. The resulting aerodynamic forces are applied in a Galerkin modal flutter analysis. The required input data are the flow and planform parameters including deflection-mode data, modal frequencies, and generalized masses.

Superstatistics of the Klein-Gordon equation in deformed formalism for modified Dirac delta distribution

NASA Astrophysics Data System (ADS)

Sargolzaeipor, S.; Hassanabadi, H.; Chung, W. S.

2018-04-01

The Klein-Gordon equation is extended in the presence of an Aharonov-Bohm magnetic field for the Cornell potential and the corresponding wave functions as well as the spectra are obtained. After introducing the superstatistics in the statistical mechanics, we first derived the effective Boltzmann factor in the deformed formalism with modified Dirac delta distribution. We then use the concepts of the superstatistics to calculate the thermodynamics properties of the system. The well-known results are recovered by the vanishing of deformation parameter and some graphs are plotted for the clarity of our results.

The Shape of Things to Come: Estimating Northern-Hemisphere (NH) Transient Climate Response Through Hindcasting and Forecasting the Frequency Distribution of Earth's NH Land Temperature Anomalies for the Period 1951-2071

NASA Astrophysics Data System (ADS)

Leclerc, D. F.

2016-12-01

Northern-hemisphere (NH) heatwaves, during which temperatures rise 5 standard deviations (SD), sigma, above the historical mean temperature, mu, are becoming frequent; these events skew temperature anomaly (delta T) profiles towards extreme values. Although general extreme value (GEV) distributions have modeled precipitation data, their application to temperatures have met with limited success. This work presents a modified three-parameter (mu, sigma and tau (skew)) Exponential-Gaussian (eGd) model that hindcasts decadal NH land winter (DJF) and summer (JJA) delta Ts from 1951 to 2011, and forecasts profiles for a business-as-usual (BAU) scenario for 2061-2071. We accessed 12 numerical binned (0.05 °C/bin) z-scored NH decadal datasets (posted online until August 2015) from the publicly available website http://www.columbia.edu/ mhs119/PerceptionsAndDice/ mentioned in Hansen et al, PNAS 109 E2415-E2423 (2012) and stated to be in the public domain. No pre-processing was done. Parameters were calculated for the 12 NH datasets pasted into Microsoft Excel™ through the method of moments for 1-tail distributions and through the BEST deconvolution program described by Pommé and Marroyo, Applied Radiation and Isotopes 96 148-153 (2015) for 2-tail distributions. We used maximum likelihood estimation (MLE), residual sum of squares (RSS) and F-test to find optimal parameter values. Calculated 1st (= sigma + tau) and 2nd (= sigma2 + tau2) moments were found to be within 0.5% of observed values. Land delta Ts were recovered from the z-score values by multiplying the winter data by its SD (1.2 °C) and likewise the summer data by 0.6 °C. Results were all within 0.05 °C of 10-year averages from the GHCNv3 NH land dataset. Assuming BAU (increases from 2.1 to 2.6 ppm/y CO2) and using temperature rises of 0.27 °C and 0.35 °C per decade, for summer and winter, respectively, and forecasting to 2071, we obtain for the transient climate response for doubled CO2 (560 ppm CO2) mean delta Ts of 2.39 °C for summer and 2.97 °C for NH winter, thereby widely missing the agreed-to 2 °C international target which will be reached around 2040 @ 465 ppm CO2. In summary, barring volcanic eruptions and/or El Niño events, winter delta Ts will exceed 6 °C over 5% of land area, whereas in summer delta Ts will surpass 3.6 °C over 23% of same, both at the 5 sigma level.

Development of a Predictive Model for the Long-Term Stability Assessment of Drug-In-Adhesive Transdermal Films Using Polar Pressure-Sensitive Adhesives as Carrier/Matrix.

PubMed

Chenevas-Paule, Clémence; Wolff, Hans-Michael; Ashton, Mark; Schubert, Martin; Dodou, Kalliopi

2017-05-01

Drug crystallization in transdermal drug delivery systems is a critical quality defect. The impact of drug load and hydration on the physical stability of polar (acrylic) drug-in-adhesive (DIA) films was investigated with the objective to identify predictive formulation parameters with respect to drug solubility and long-term stability. Medicated acrylic films were prepared over a range of drug concentrations below and above saturation solubility and were characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, polarized microscopy, and dynamic vapor sorption (DVS) analysis. Physical stability of medicated films was monitored over 4 months under different storage conditions and was dependent on solubility parameters, Gibbs free energy for drug phase transition from the amorphous to the crystalline state, and relative humidity. DVS data, for assessing H-bonding capacity experimentally, were essential to predict physical stability at different humidities and were used together with Gibbs free energy change and the Hoffman equation to develop a new predictive thermodynamic model to estimate drug solubility and stability in DIA films taking into account relative humidity. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Efficient solubilization of inclusion bodies.

PubMed

Freydell, Esteban J; Ottens, Marcel; Eppink, Michel; van Dedem, Gijs; van der Wielen, Luuk

2007-06-01

The overexpression of recombinant proteins in Escherichia coli leads in most cases to their accumulation in the form of insoluble aggregates referred to as inclusion bodies (IBs). To obtain an active product, the IBs must be solubilized and thereafter the soluble monomeric protein needs to be refolded. In this work we studied the solubilization behavior of a model-protein expressed as IBs at high protein concentrations, using a statistically designed experiment to determine which of the process parameters, or their interaction, have the greatest impact on the amount of soluble protein and the fraction of soluble monomer. The experimental methodology employed pointed out an optimum balance between maximum protein solubility and minimum fraction of soluble aggregates. The optimized conditions solubilized the IBs without the formation of insoluble aggregates; moreover, the fraction of soluble monomer was approximately 75% while the fraction of soluble aggregates was approximately 5%. Overall this approach guarantees a better use of the solubilization reagents, which brings an economical and technical benefit, at both large and lab scale and may be broadly applicable for the production of recombinant proteins.

Separation of crack extension modes in orthotropic delamination models

NASA Technical Reports Server (NTRS)

Beuth, Jack L.

1995-01-01

In the analysis of an interface crack between dissimilar elastic materials, the mode of crack extension is typically not unique, due to oscillatory behavior of near-tip stresses and displacements. This behavior currently limits the applicability of interfacial fracture mechanics as a means to predict composite delamination. The Virtual Crack Closure Technique (VCCT) is a method used to extract mode 1 and mode 2 energy release rates from numerical fracture solutions. The mode of crack extension extracted from an oscillatory solution using the VCCT is not unique due to the dependence of mode on the virtual crack extension length, Delta. In this work, a method is presented for using the VCCT to extract Delta-independent crack extension modes for the case of an interface crack between two in-plane orthotropic materials. The method does not involve altering the analysis to eliminate its oscillatory behavior. Instead, it is argued that physically reasonable, Delta-independent modes of crack extension can be extracted from oscillatory solutions. Knowledge of near-tip fields is used to determine the explicit Delta dependence of energy release rate parameters. Energy release rates are then defined that are separated from the oscillatory dependence on Delta. A modified VCCT using these energy release rate definitions is applied to results from finite element analyses, showing that Delta-independent modes of crack extension result. The modified technique has potential as a consistent method for extracting crack extension modes from numerical solutions. The Delta-independent modes extracted using this technique can also serve as guides for testing the convergence of finite element models. Direct applications of this work include the analysis of planar composite delamination problems, where plies or debonded laminates are modeled as in-plane orthotropic materials.

[Assessment of tooth bleaching efficacy with spectrophotometer].

PubMed

Zhu, Wenhao; Liu, Chang; Pan, Jie

2014-06-01

To analyze the changes in CIE L*, a*, and b* at cervical, body, and incisal sites after tooth bleaching by using a spectrophotometer. Sixty-seven intact and healthy maxillary central incisors were in-vestigated. These incisors were darker than A3 according to the Vita Classical shade guide. The CIE tooth shade parameters L*, a*, and b* were simultaneously recorded at three tooth areas (cervical, body, and incisal) with a spectrophotometer before and after tooth bleaching (35%H2O2 coordinating with Beyond whitening accelerator irradiating). The shade dif-ferential (DeltaE) was calculated. ANOVA, paired t-test, and Pearson correlation analysis were used for data analysis. The efficacy rates of tooth bleaching were satisfactory, with 86.6%, 86.6%, and 85.1% in the cervical, body, and incisal sites, respectively. The average values of DeltaE were 5.09, 4.44, and 4.40 in the cervical, body, and incisal sites. Tooth bleaching significantly increased L* and significantly decreased a* and b* in all tooth areas (P < 0.01). The decreasing range of Deltab* was more than the increasing range of DeltaL* at the cervical site; opposite results were observed at the incisal site. A positive correlation was detected between baseline b* and DeltaE. The spectrophotometer could objectively evaluate the whitening effect of tooth bleaching at the different tooth sites. The tooth bleaching system (35%H202 coordinating with Beyond whitening accelerator irradiating) exerts powerful bleaching actions in most of the tooth areas investigated. The order of tooth bleaching effectiveness is cervicalbody>incisal. Yellow coloration is decreased mainly at the cervical site, and brightness was increased mostly at theincisal site. The effectiveness of tooth bleaching increases as the baseline b* value increases.

An approach for delineating drinking water wellhead protection areas at the Nile Delta, Egypt.

PubMed

Fadlelmawla, Amr A; Dawoud, Mohamed A

2006-04-01

In Egypt, production has a high priority. To this end protecting the quality of the groundwater, specifically when used for drinking water, and delineating protection areas around the drinking water wellheads for strict landuse restrictions is essential. The delineation methods are numerous; nonetheless, the uniqueness of the hydrogeological, institutional as well as social conditions in the Nile Delta region dictate a customized approach. The analysis of the hydrological conditions and land ownership at the Nile Delta indicates the need for an accurate methodology. On the other hand, attempting to calculate the wellhead protected areas around each of the drinking wells (more than 1500) requires data, human resources, and time that exceed the capabilities of the groundwater management agency. Accordingly, a combination of two methods (simplified variable shapes and numerical modeling) was adopted. Sensitivity analyses carried out using hypothetical modeling conditions have identified the pumping rate, clay thickness, hydraulic gradient, vertical conductivity of the clay, and the hydraulic conductivity as the most significant parameters in determining the dimensions of the wellhead protection areas (WHPAs). Tables of sets of WHPAs dimensions were calculated using synthetic modeling conditions representing the most common ranges of the significant parameters. Specific WHPA dimensions can be calculated by interpolation, utilizing the produced tables along with the operational and hydrogeological conditions for the well under consideration. In order to simplify the interpolation of the appropriate dimensions of the WHPAs from the calculated tables, an interactive computer program was written. The program accepts the real time data of the significant parameters as its input, and gives the appropriate WHPAs dimensions as its output.

Decorrelation Times of Photospheric Fields and Flows

NASA Technical Reports Server (NTRS)

Welsch, B. T.; Kusano, K.; Yamamoto, T. T.; Muglach, K.

2012-01-01

We use autocorrelation to investigate evolution in flow fields inferred by applying Fourier Local Correlation Tracking (FLCT) to a sequence of high-resolution (0.3 "), high-cadence (approx = 2 min) line-of-sight magnetograms of NOAA active region (AR) 10930 recorded by the Narrowband Filter Imager (NFI) of the Solar Optical Telescope (SOT) aboard the Hinode satellite over 12 - 13 December 2006. To baseline the timescales of flow evolution, we also autocorrelated the magnetograms, at several spatial binnings, to characterize the lifetimes of active region magnetic structures versus spatial scale. Autocorrelation of flow maps can be used to optimize tracking parameters, to understand tracking algorithms f susceptibility to noise, and to estimate flow lifetimes. Tracking parameters varied include: time interval Delta t between magnetogram pairs tracked, spatial binning applied to the magnetograms, and windowing parameter sigma used in FLCT. Flow structures vary over a range of spatial and temporal scales (including unresolved scales), so tracked flows represent a local average of the flow over a particular range of space and time. We define flow lifetime to be the flow decorrelation time, tau . For Delta t > tau, tracking results represent the average velocity over one or more flow lifetimes. We analyze lifetimes of flow components, divergences, and curls as functions of magnetic field strength and spatial scale. We find a significant trend of increasing lifetimes of flow components, divergences, and curls with field strength, consistent with Lorentz forces partially governing flows in the active photosphere, as well as strong trends of increasing flow lifetime and decreasing magnitudes with increases in both spatial scale and Delta t.

Use of Hansen Solubility Parameters in Fuel Treatment Processes

DTIC Science & Technology

2014-03-17

Clearance # Considerations for Rocket Fuel Objective: Utilize liquid/liquid extraction process to improve performance, increase availability, and...1/4)(H1 - H0)2 - (D2 – D0)2 - (1/4) (P2 - P0)2 - (1/4)(H2 - H0)2 ] + RT ln (V1/ V2 ) K = C0,2 / CO,1 Partition coefficient RT ln K = V0( D1...02 – D2-02 ) + RT ln (V1/ V2 ) Di-0 is the distance in “solubility parameter space” between liquid i and impurity 0. For reference, phase 1 = fuel

Model-Based Analysis of Biopharmaceutic Experiments To Improve Mechanistic Oral Absorption Modeling: An Integrated in Vitro in Vivo Extrapolation Perspective Using Ketoconazole as a Model Drug.

PubMed

Pathak, Shriram M; Ruff, Aaron; Kostewicz, Edmund S; Patel, Nikunjkumar; Turner, David B; Jamei, Masoud

2017-12-04

Mechanistic modeling of in vitro data generated from metabolic enzyme systems (viz., liver microsomes, hepatocytes, rCYP enzymes, etc.) facilitates in vitro-in vivo extrapolation (IVIV_E) of metabolic clearance which plays a key role in the successful prediction of clearance in vivo within physiologically-based pharmacokinetic (PBPK) modeling. A similar concept can be applied to solubility and dissolution experiments whereby mechanistic modeling can be used to estimate intrinsic parameters required for mechanistic oral absorption simulation in vivo. However, this approach has not widely been applied within an integrated workflow. We present a stepwise modeling approach where relevant biopharmaceutics parameters for ketoconazole (KTZ) are determined and/or confirmed from the modeling of in vitro experiments before being directly used within a PBPK model. Modeling was applied to various in vitro experiments, namely: (a) aqueous solubility profiles to determine intrinsic solubility, salt limiting solubility factors and to verify pK a ; (b) biorelevant solubility measurements to estimate bile-micelle partition coefficients; (c) fasted state simulated gastric fluid (FaSSGF) dissolution for formulation disintegration profiling; and (d) transfer experiments to estimate supersaturation and precipitation parameters. These parameters were then used within a PBPK model to predict the dissolved and total (i.e., including the precipitated fraction) concentrations of KTZ in the duodenum of a virtual population and compared against observed clinical data. The developed model well characterized the intraluminal dissolution, supersaturation, and precipitation behavior of KTZ. The mean simulated AUC 0-t of the total and dissolved concentrations of KTZ were comparable to (within 2-fold of) the corresponding observed profile. Moreover, the developed PBPK model of KTZ successfully described the impact of supersaturation and precipitation on the systemic plasma concentration profiles of KTZ for 200, 300, and 400 mg doses. These results demonstrate that IVIV_E applied to biopharmaceutical experiments can be used to understand and build confidence in the quality of the input parameters and mechanistic models used for mechanistic oral absorption simulations in vivo, thereby improving the prediction performance of PBPK models. Moreover, this approach can inform the selection and design of in vitro experiments, potentially eliminating redundant experiments and thus helping to reduce the cost and time of drug product development.

Diffusion and solubility coefficients determined by permeation and immersion experiments for organic solvents in HDPE geomembrane.

PubMed

Chao, Keh-Ping; Wang, Ping; Wang, Ya-Ting

2007-04-02

The chemical resistance of eight organic solvents in high density polyethylene (HDPE) geomembrane has been investigated using the ASTM F739 permeation method and the immersion test at different temperatures. The diffusion of the experimental organic solvents in HDPE geomembrane was non-Fickian kinetic, and the solubility coefficients can be consistent with the solubility parameter theory. The diffusion coefficients and solubility coefficients determined by the ASTM F739 method were significantly correlated to the immersion tests (p<0.001). The steady state permeation rates also showed a good agreement between ASTM F739 and immersion experiments (r(2)=0.973, p<0.001). Using a one-dimensional diffusion equation based on Fick's second law, the diffusion and solubility coefficients obtained by immersion test resulted in over estimates of the ASTM F739 permeation results. The modeling results indicated that the diffusion and solubility coefficients should be obtained using ASTM F739 method which closely simulates the practical application of HDPE as barriers in the field.

Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids.

PubMed

Finotello, Alexia; Bara, Jason E; Narayan, Suguna; Camper, Dean; Noble, Richard D

2008-02-28

This study focuses on the solubility behaviors of CO2, CH4, and N2 gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]) at 40 degrees C and low pressures (approximately 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % [C2mim][BF4] in [C2mim][Tf2N]. Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO2 with N2 or CH4 in pure [C2mim][BF4] can be enhanced by adding 5 mol % [C2mim][Tf2N].

Changes in 13C/12C of oil palm leaves to understand carbon use during their passage from heterotrophy to autotrophy.

PubMed

Lamade, Emmanuelle; Setiyo, Indra Eko; Girard, Sébastien; Ghashghaie, Jaleh

2009-08-30

The carbon isotope composition of leaf bulk organic matter was determined on the tropical tree Elaeis guineensis Jacq. (oil palm) in North Sumatra (Indonesia) to get a better understanding of the changes in carbon metabolism during the passage from heterotrophy to autotrophy of the leaves. Leaf soluble sugar (sucrose, glucose and fructose) contents, stomatal conductance and dark respiration, as well as leaf chlorophyll and nitrogen contents, were also investigated. Different growing stages were sampled from leaf rank -6 to rank 57. The mean values for the delta(13)C of bulk organic matter were -29.01 +/- 0.9 per thousand for the leaflets during the autotrophic stage, -27.87 +/- 1.08 per thousand for the petioles and -28.17 +/- 1.09 per thousand for the rachises, which are in the range of expected values for a C(3) plant. The differences in delta(13)C among leaf ranks clearly revealed the changes in the origin of the carbon source used for leaf growth. Leaves were (13)C-enriched at ranks below zero (around -27 per thousand). During this period, the 'spear' leaves were completely heterotrophic and reserves from storage organs were mobilised for the growth of these young emerging leaves. (13)C-depletion was then observed when the leaf was expanding at rank 1, and there was a continuous decrease during the progressive passage from heterotrophy until reaching full autotrophy. Thereafter, the delta(13)C remained more or less constant at around -29.5 per thousand. Changes in sugar content and in delta(13)C related to leaf ranks showed an interesting similarity of the passage from heterotrophy to autotrophy of oil palm leaves to the budburst of some temperate trees or seed germination reported in the literature. John Wiley & Sons, Ltd.

Cyclic 2,3-diphosphoglycerate as a component of a new branch in gluconeogenesis in Methanobacterium thermoautotrophicum delta H.

PubMed

Gorkovenko, A; Roberts, M F

1993-07-01

A unique compound, cyclic 2,3-diphosphoglycerate (cDPG), is the major soluble carbon and phosphorus solute in Methanobacterium thermoautotrophicum delta H under optimal conditions of cell growth. It is a component of an unusual branch in gluconeogenesis in these bacteria. [U-13C]acetate pulse-[12C]acetate chase methodology was used to observe the relationship between cDPG and other metabolites (2-phosphoglycerate and 2,3-diphosphoglycerate [2-PG and 2,3-DPG, respectively]) of this branch. It was demonstrated that cells could grow exponentially under conditions in which 2-PG and 2,3-DPG, rather than cDPG, were the major solutes. While the total concentration of these three phosphorylated molecules was maintained, rapid interconversion of 13C label among them was observed. Label flow from 2-PG to 2,3-DPG to cDPG to polymer is the usual direction in this pathway in exponentially growing cells, while the reverse reactions sometimes predominate in the stationary phase. Evidence of the presence of a polymeric compound in this pathway was provided by 13C nuclear magnetic resonance (one-dimensional and two-dimensional INADEQUATE) studies of solubilized cell debris.

Cyclic 2,3-diphosphoglycerate as a component of a new branch in gluconeogenesis in Methanobacterium thermoautotrophicum delta H.

PubMed Central

Gorkovenko, A; Roberts, M F

1993-01-01

A unique compound, cyclic 2,3-diphosphoglycerate (cDPG), is the major soluble carbon and phosphorus solute in Methanobacterium thermoautotrophicum delta H under optimal conditions of cell growth. It is a component of an unusual branch in gluconeogenesis in these bacteria. [U-13C]acetate pulse-[12C]acetate chase methodology was used to observe the relationship between cDPG and other metabolites (2-phosphoglycerate and 2,3-diphosphoglycerate [2-PG and 2,3-DPG, respectively]) of this branch. It was demonstrated that cells could grow exponentially under conditions in which 2-PG and 2,3-DPG, rather than cDPG, were the major solutes. While the total concentration of these three phosphorylated molecules was maintained, rapid interconversion of 13C label among them was observed. Label flow from 2-PG to 2,3-DPG to cDPG to polymer is the usual direction in this pathway in exponentially growing cells, while the reverse reactions sometimes predominate in the stationary phase. Evidence of the presence of a polymeric compound in this pathway was provided by 13C nuclear magnetic resonance (one-dimensional and two-dimensional INADEQUATE) studies of solubilized cell debris. Images PMID:8320225

Vitamin E and its anticancer effects.

PubMed

Abraham, Annette; Kattoor, Ajoe John; Saldeen, Tom; Mehta, Jawahar L

2018-05-10

Vitamin E is a lipid soluble vitamin comprising of eight natural isoforms, namely, α, β, δ, γ isoforms of tocopherol and α, β, δ, γ isoforms of tocotrienol. Many studies have been performed to elucidate its role in cancer. Until last decade, major focus was on alpha tocopherol and its anticancer effects. However, major clinical trials using alpha-tocopherol like SELECT trial and ATBC trial did not yield meaningful results. Hence there was a shift of focus to gamma-tocopherol, delta-tocopherol and tocotrienol. Unlike alpha-tocopherol, gamma-tocopherol and delta-tocopherol can scavenge reactive nitrogen species in addition to reactive oxygen species. Antiangiogenic effect, inhibition of HMG CoA reductase enzyme and inhibition of NF-κB pathway make the anti-cancer effects of tocotrienols unique compared to other vitamin E isoforms. Preclinical research on non-alpha tocopherol isoforms of vitamin E showed promising data on their anticancer effects. In this review, we deal with the current understanding on the potential mechanisms involved in the anticancer effects of vitamin E and the controversies in this field over last three decades. We also highlight the need to conduct further research on the anticancer effects of non-alpha-tocopherol isoforms in larger population and clinical setting.

Ecological and Taxonomic Features of Actinomycetal Complexes in Soils of the Lake Elton Basin

NASA Astrophysics Data System (ADS)

Zenova, G. M.; Dubrova, M. S.; Kuznetsova, A. I.; Gracheva, T. A.; Manucharova, N. A.; Zvyagintsev, D. G.

2016-02-01

In the sor (playa) solonchaks of chloride and sulfate-chloride salinity (the content of readily soluble salts is 0.9-1.0%) in the delta of the Khara River discharging into Lake Elton, the number of mycelial actinobacteria (actinomycetes) is low ((2-3) × 103 CFU/g of soil). At a distance from the water's edge, these soils are substituted for the light chestnut ones, for which an elevated number of actinomycetes (an order of magnitude higher than in the sor solonchaks) and a wider generic spectrum are characteristic. The actinomycetal complex is included the Streptomyces and Micromonospora genera, whereas in the sor solonchaks around the lake, representatives of Micromonospora were not found.

A Spatially Distributed Hydrological Model For The Okavango Delta, Botswana

NASA Astrophysics Data System (ADS)

Bauer, P.; Kinzelbach, W.; Thabeng, G.

2003-04-01

The Okavango Delta is a large (˜30 000 km^2) inland delta situated in northern Botswana. It is subject to annual flooding due to the strong seasonality of the inflowing Okavango River and of local rainfall. The inflowing waters spread out over vast perennial and seasonal floodplains and partially infiltrate into the underlying sand aquifer. Ultimately, the water is consumed by evapotranspiration, there is no significant outflow from the Delta. The system's response to the annual flood in the Okavango River as well as local rainfall and evapotranspiration is modelled within a finite difference scheme based on MODFLOW. The wetland and the underlying sand aquifer are incorporated as two separate layers. In the superficial layer, either steady uniform channel flow (Darcy-Weisbach equation) or potential flow (Darcy flow) can be chosen on a cell-by-cell basis. The coarse spatial resolution does not capture the small-scale variation in the topographic elevation. Therefore, upscaling techniques are applied to incorporate the statistics of that variation into effective parameters for the hydraulic conductivity, the storage coefficient and the evapotranspiration. Modelled flooding patterns are compared with flooding patterns derived from NOAA-AVHRR and other remote sensing data (1 km resolution). Good correspondence between the two is achieved based on parameters chosen according to prior knowledge and field data. Global indicators like the average size of the Delta and the temporal variance of its size are closely reproduced. Ultimately, the remotely sensed flooding patterns will be used to calibrate the model. Apart from flooding patterns, model outputs include cell-by-cell flow terms. Water balances can be calculated for arbitrary sub-regions of the grid. Other monitoring data like water levels in rivers and boreholes as well as discharges at gauging points may be used for validation of the model. The Okavango Delta is one of the prime conservation areas in Africa and a top-destination for international tourism. It is the principal freshwater resource for the local people. Furthermore, three countries (Angola, Namibia and Botswana) share the river basin and most of the runoff in the river is actually generated in Angola. Some intricate management problems arise in this complex set-up of interests and stakeholders (dam building in Angola, water abstraction, morphological engineering in the Delta etc.). In some cases, scenario calculations may help to assess the impacts of the planned actions and to analyse their sustainability prior to implementation.

Real Time Radiation Monitoring Using Nanotechnology

NASA Technical Reports Server (NTRS)

Li, Jing (Inventor); Hanratty, James J. (Inventor); Wilkins, Richard T. (Inventor); Lu, Yijiang (Inventor)

2016-01-01

System and method for monitoring receipt and estimating flux value, in real time, of incident radiation, using two or more nanostructures (NSs) and associated terminals to provide closed electrical paths and to measure one or more electrical property change values .DELTA.EPV, associated with irradiated NSs, during a sequence of irradiation time intervals. Effects of irradiation, without healing and with healing, of the NSs, are separately modeled for first order and second order healing. Change values.DELTA.EPV are related to flux, to cumulative dose received by NSs, and to radiation and healing effectivity parameters and/or.mu., associated with the NS material and to the flux. Flux and/or dose are estimated in real time, based on EPV change values, using measured .DELTA.EPV values. Threshold dose for specified changes of biological origin (usually undesired) can be estimated. Effects of time-dependent radiation flux are analyzed in pre-healing and healing regimes.

Experimental study of two separating turbulent boundary layers

NASA Technical Reports Server (NTRS)

Nagabushana, K. A.; Simpson, R. L.; Agarwal, N. K.

1987-01-01

A detailed study of two strong adverse pressure gradient flows, one with a free-stream velocity of 35 m/sec, at throat (producing a Re sub theta of 27000 at detachment) and another with free-stream velocity of 22 m/sec, at throat (producing a Re sub theta of 19000 at detachment) is presented. In these examples flows separate slowly and reattach very rapidly over a very short distance in a streamwise direction. In the backflow region, there appears to be a semi-logarithmically flat region in the streamwise fluctuating velocity component, u', which spreads over a definite range of y/delta. In power spectra, the flow variables phi sub upsilon upsilon (kappa sub 1 delta)/ -uv bar sub max vs. kappa sub 1 delta forms a unique set of scaling parameters for adverse pressure gradient flows. Experimental results show good agreement with previous studies.

Water quality in select regions of Cauvery Delta River basin, southern India, with emphasis on monsoonal variation.

PubMed

Solaraj, Govindaraj; Dhanakumar, Selvaraj; Murthy, Kuppuraj Rutharvel; Mohanraj, Rangaswamy

2010-07-01

Delta regions of the Cauvery River basin are one of the significant areas of rice production in India. In spite of large-scale utilization of the river basin for irrigation and drinking purposes, the lack of appropriate water management has seemingly deteriorated the water quality due to increasing anthropogenic activities. To assess the extent of deterioration, physicochemical characteristics of surface water were analyzed monthly in select regions of Cauvery Delta River basin, India, during July 2007 to December 2007. Total dissolved solids, chemical oxygen demand, and phosphate recorded maximum levels of 1,638, 96, and 0.43 mg/l, respectively, exceeding the permissible levels at certain sampling stations. Monsoonal rains in Cauvery River basin and the subsequent increase in river flow rate influences certain parameters like dissolved solids, phosphate, and dissolved oxygen. Agricultural runoff from watershed, sewage, and industrial effluents are suspected as probable factors of water pollution.

GTARG - The TOPEX/Poseidon ground track maintenance maneuver targeting program

NASA Technical Reports Server (NTRS)

Shapiro, Bruce E.; Bhat, Ramachandra S.

1993-01-01

GTARG is a computer program used to design orbit maintenance maneuvers for the TOPEX/Poseidon satellite. These maneuvers ensure that the ground track is kept within +/-1 km with of an = 9.9 day exact repeat pattern. Maneuver parameters are determined using either of two targeting strategies: longitude targeting, which maximizes the time between maneuvers, and time targeting, in which maneuvers are targeted to occur at specific intervals. The GTARG algorithm propagates nonsingular mean elements, taking into account anticipated error sigma's in orbit determination, Delta v execution, drag prediction and Delta v quantization. A satellite unique drag model is used which incorporates an approximate mean orbital Jacchia-Roberts atmosphere and a variable mean area model. Maneuver Delta v magnitudes are targeted to precisely maintain either the unbiased ground track itself, or a comfortable (3 sigma) error envelope about the unbiased ground track.

Spectroscopic and molecular modeling studies of the interaction between cytidine and human serum albumin and its analytical application.

PubMed

Cui, Fengling; Wang, Junli; Yao, Xiaojun; Wang, Li; Zhang, Qiangzhai; Qu, Guirong

In this study, the interaction between cytidine and human serum albumin (HSA) was investigated for the first time by fluorescence spectroscopy in combination with UV absorption spectrum and molecular modeling under simulative physiological conditions. Experimental results indicated that cytidine had a strong ability to quench the intrinsic fluorescence of human serum albumin. The binding constants (K) at different temperatures, thermodynamic parameter enthalpy changes (DeltaH) and entropy changes (DeltaS) of HSA-cytidine had been calculated according to the relevant fluorescence data, which indicated that the hydrophobic and electrostatic interactions played a major role, which was in agreement with the results of molecular modeling study. In addition, the effects of other ions on the binding constants were also studied. Furthermore, synchronous fluorescence technology was successfully applied to the determination of human serum albumin added into the cytidine solution.

Thermodynamic Solubility Profile of Carbamazepine-Cinnamic Acid Cocrystal at Different pH.

PubMed

Keramatnia, Fatemeh; Shayanfar, Ali; Jouyban, Abolghasem

2015-08-01

Pharmaceutical cocrystal formation is a direct way to dramatically influence physicochemical properties of drug substances, especially their solubility and dissolution rate. Because of their instability in the solution, thermodynamic solubility of cocrystals could not be determined in the common way like other compounds; therefore, the thermodynamic solubility is calculated through concentration of their components in the eutectic point. The objective of this study is to investigate the effect of an ionizable coformer in cocrystal with a nonionizable drug at different pH. Carbamazepine (CBZ), a nonionizable drug with cinnamic acid (CIN), which is an acidic coformer, was selected to prepare CBZ-CIN cocrystal and its thermodynamic solubility was studied in pH range 2-7. Instead of HPLC that is a costly and time-consuming method, a chemometric-based approach, net analyte signal standard addition method, was selected for simultaneous determination of CBZ and CIN in solution. The result showed that, as pH increases, CIN ionization leads to change in CBZ-CIN cocrystal solubility and stability in solution. In addition, the results of this study indicated that there is no significant difference between intrinsic solubility of CBZ and cocrystal despite the higher ideal solubility of cocrystal. This verifies that ideal solubility is not good parameter to predict cocrystal solubility. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Method for determining processability of a hydrocarbon containing feedstock

DOEpatents

Schabron, John F.; Rovani, Jr., Joseph F.

2013-09-10

Disclosed herein is a method involving the steps of (a) precipitating an amount of asphaltenes from a liquid sample of a first hydrocarbon-containing feedstock having solvated asphaltenes therein with one or more first solvents in a column; (b) determining one or more solubility characteristics of the precipitated asphaltenes; (c) analyzing the one or more solubility characteristics of the precipitated asphaltenes; and (d) correlating a measurement of feedstock reactivity for the first hydrocarbon-containing feedstock sample with a mathematical parameter derived from the results of analyzing the one or more solubility characteristics of the precipitated asphaltenes.

Observation of oxide particles below the apparent oxygen solubility limit in tantalum

NASA Technical Reports Server (NTRS)

Stecura, S.

1973-01-01

The apparent solubility of oxygen in polycrystalline tantalum as determined by the X-ray diffraction lattice parameter technique is about 1.63 atomic percent at 820 C. However, oxide particles were identified in samples containing as low as 0.5 atomic percent of oxygen. These oxide particles were present at the grain boundaries and within the grains. The number of oxide particles increased with increasing oxygen concentration in tantalum. The presence of oxide particles suggests that the true solubility of oxygen in the polycrystalline tantalum metal is probably significantly lower than that reported in the literature.

Model of twelve properties of a set of organic solvents with graph-theoretical and/or experimental parameters.

PubMed

Pogliani, Lionello

2010-01-30

Twelve properties of a highly heterogeneous class of organic solvents have been modeled with a graph-theoretical molecular connectivity modified (MC) method, which allows to encode the core electrons and the hydrogen atoms. The graph-theoretical method uses the concepts of simple, general, and complete graphs, where these last types of graphs are used to encode the core electrons. The hydrogen atoms have been encoded by the aid of a graph-theoretical perturbation parameter, which contributes to the definition of the valence delta, delta(v), a key parameter in molecular connectivity studies. The model of the twelve properties done with a stepwise search algorithm is always satisfactory, and it allows to check the influence of the hydrogen content of the solvent molecules on the choice of the type of descriptor. A similar argument holds for the influence of the halogen atoms on the type of core electron representation. In some cases the molar mass, and in a minor way, special "ad hoc" parameters have been used to improve the model. A very good model of the surface tension could be obtained by the aid of five experimental parameters. A mixed model method based on experimental parameters plus molecular connectivity indices achieved, instead, to consistently improve the model quality of five properties. To underline is the importance of the boiling point temperatures as descriptors in these last two model methodologies. Copyright 2009 Wiley Periodicals, Inc.

Cycling of sulfur in subduction zones: The geochemistry of sulfur in the Mariana Island Arc and back-arc trough

NASA Astrophysics Data System (ADS)

Alt, Jeffrey C.; Shanks, Wayne C., III; Jackson, Michael C.

1993-10-01

The sulfur contents and sulfur isotopic compositions of 24 glassy submarine volcanics from the Mariana Island Arc and back-arc Mariana Trough were determined in order to investigate the hypothesis that subducted seawater sulfur (delta S-34 = 21 parts per thousand) is recycled through arc volcanism. Our results for sulfur are similar to those for subaerial arc volcanics: Mariana Arc glasses are enriched in S-34(delta S-34 = up to 10.3 parts per thousand, mean = 3.8 parts per thousand) and depleted in S(20-290 ppm, mean = 100 ppm) relative to mid ocean ridge basalt (MORB)(850 ppm S, delta S-34 = 0.1 +/- 0.5 parts per thousand). The bac-arc trough basalts contain 200-930 ppm S and have delta S-34 values of 1.1 +/- 0.5 parts per thousand, which overlap those for the arc and MORB. The low sulfur contents of the arc and some of the trough glasses are attributed to (1) early loss of small amounts of sulfur through separation of immiscible sulfide and (2) later vapor-melt equilibrium control of sulfur contents and loss of sulfur in a vapor phase from sulfide-undersaturated melts near the minimum in sulfur solubility at fO2 is approximately equal to NNO (nickel-nickel oxide). Although these processes removed sulfur from the melts their effects on the sulfur isotopic compositions of the melts were minimal. Positive trends of delta S-34 with Sr-87/Sr-86 large ion lithophile element (LILE) and Light rare earth elements (LREE) contents of the arc volcanics are consistent with a metasomatic seawater sulfur component in the depleted sub-arc mantle source. The lack of a S-34-rich slab signature in the trough lavas may be attributed to equilibration of metasomatic fluid with mantle material along the longer pathway from the slab to the source of the trough volcanics. Sulfur is likely to have been transported into the mantle wedge by metasomatic fluid derived from subducted sediments and pore fluids. Gases extracted from vesicles in arc and back-arc samples are predominantly H2O, with minor CO2 and traces of H2S and SO2.CO2 in the arc and back-arc rocks has delta C-13 values of -2.1 to 13.1 parts per thousand, similar to MORB. These data suggest that degassing of CO2 could explain the slightly lower delta C-13 values for some Mariana Trough volcanic glasses, and that incorporation of subduction-derived organic carbon into the Mariana trough mantle source may not be necessary. More analyses are required to resolve this question, however.

Association of a cholesteryl ester transfer protein variant (rs1800777) with fat mass, HDL cholesterol levels, and metabolic syndrome.

PubMed

de Luis, Daniel; Izaola, Olatz; Primo, David; Gomez, Emilia; Lopez, Juan Jose; Ortola, Ana; Aller, Rocio

2018-04-25

There is little evidence of the association between CETP SNPs and obesity and/or related metabolic parameters. To analyze the association of the polymorphism rs1800777 of the CETP gene with anthropometric parameters, lipid profile, metabolic syndrome and its components, and adipokine levels in obese subjects without type 2 diabetes mellitus or hypertension. A population of 1005 obese subjects was analyzed. Electrical bioimpedance was performed, and blood pressure, presence of metabolic syndrome, dietary intake, physical activity, and biochemical tests were recorded. Nine hundred and sixty eight patients (96.3%) had the GG genotype, 37 patients the GA genotype (3.7%) (no AA genotype was detected). Fat mass (delta: 4.4±1.1kg; p=0.04), waist circumference (delta: 5.6±2.1cm; p=0.02), and waist to hip ratio (delta: 0.04±0.01cm; p=0.01) were higher in A allele carriers than in non-A allele carriers. HDL cholesterol levels were lower in A allele carriers than in non-A allele carriers (delta: 4.2±1.0mg/dL; p=0.04). In the logistic regression analysis, the GA genotype was associated to an increased risk of central obesity (OR 7.55, 95% CI 1.10-55.70, p=0.02) and low HDL cholesterol levels (OR 2.46, 95% CI 1.23-4.91, p=0.014). The CETP variant at position +82 is associated to lower HDL cholesterol levels, increased fat mass, and central obesity in obese subjects. These results may suggest a potential role of this variant gene in pathophysiology of adipose tissue. Copyright © 2018 SEEN y SED. Publicado por Elsevier España, S.L.U. All rights reserved.

Impact of process parameters on the breakage kinetics of poorly water-soluble drugs during wet stirred media milling: a microhydrodynamic view.

PubMed

Afolabi, Afolawemi; Akinlabi, Olakemi; Bilgili, Ecevit

2014-01-23

Wet stirred media milling has proven to be a robust process for producing nanoparticle suspensions of poorly water-soluble drugs. As the process is expensive and energy-intensive, it is important to study the breakage kinetics, which determines the cycle time and production rate for a desired fineness. Although the impact of process parameters on the properties of final product suspensions has been investigated, scant information is available regarding their impact on the breakage kinetics. Here, we elucidate the impact of stirrer speed, bead concentration, and drug loading on the breakage kinetics via a microhydrodynamic model for the bead-bead collisions. Suspensions of griseofulvin, a model poorly water-soluble drug, were prepared in the presence of two stabilizers: hydroxypropyl cellulose and sodium dodecyl sulfate. Laser diffraction, scanning electron microscopy, and rheometry were used to characterize them. Various microhydrodynamic parameters including a newly defined milling intensity factor was calculated. An increase in either the stirrer speed or the bead concentration led to an increase in the specific energy and the milling intensity factor, consequently faster breakage. On the other hand, an increase in the drug loading led to a decrease in these parameters and consequently slower breakage. While all microhydrodynamic parameters provided significant physical insight, only the milling intensity factor was capable of explaining the influence of all parameters directly through its strong correlation with the process time constant. Besides guiding process optimization, the analysis rationalizes the preparation of a single high drug-loaded batch (20% or higher) instead of multiple dilute batches. Copyright © 2013 Elsevier B.V. All rights reserved.

[Behavior of soluble L-selectin in HIV infected children].

PubMed

Gaddi, E; Balbaryski, J; Cantisano, C; Barboni, G; Candi, M; Quiroz, H; Giraudi, V

2001-01-01

L-selectin is an adhesion molecule that is responsible for the initial attachment of leukocytes to endothelium. After leukocyte activation L-selectin is endoproteolytically released from the cell surface. In order to analyze the relationship between soluble L-selectin (sL-selectin) and parameters of immune activation and disease progression, 51 HIV infected children and 15 healthy controls were studied. Serum L-selectin concentrations were significantly higher in HIV infected children than in the control group. Levels of sL-selectin were higher in HIV infected patients with severe immunologic suppression than in those with moderate or no evidence of suppression. A positive correlation between sL-selectin levels and LTCD8 counts, sL-selectin and soluble intercellular adhesion molecule-1 (sICAM-1) and immunogobulin A (IgA) levels was detected. On the contrary sL-selectin concentration did not correlate with plasmatic viral load. The correlation with parameters of immune activation may implicate involvement of sL-selectin in the immunopathogenesis of HIV infection.

Application of a polarity parameter model to the separation of fat-soluble vitamins by reversed-phase HPLC.

PubMed

Herrero-Martínez, José Manuel; Izquierdo, Pere; Sales, Joaquim; Rosés, Martí; Bosch, Elisabeth

2008-10-01

The retention behavior of a series of fat-soluble vitamins has been established on the basis of a polarity retention model: log k = (log k)(0) + p (P(m) (N) - P(s) (N)), with p being the polarity of the solute, P(m) (N) the mobile phase polarity, and (log k)(0) and P(m) (N) two parameters for the characterization of the stationary phase. To estimate the p-values of solutes, two approaches have been considered. The first one is based on the application of a QSPR model, derived from the molecular structure of solutes and their log P(o/w), while in the second one, the p-values are obtained from several experimental measurements. The quality of prediction of both approaches has also been evaluated, with the second one giving more accurate results for the most lipophilic vitamins. This model allows establishing the best conditions to separate and determine simultaneously some fat-soluble vitamins in dairy foods.

Revisiting Hansen Solubility Parameters by Including Thermodynamics.

PubMed

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

2017-11-03

The Hansen solubility parameter approach is revisited by implementing the thermodynamics of dissolution and mixing. Hansen's pragmatic approach has earned its spurs in predicting solvents for polymer solutions, but for molecular solutes improvements are needed. By going into the details of entropy and enthalpy, several corrections are suggested that make the methodology thermodynamically sound without losing its ease of use. The most important corrections include accounting for the solvent molecules' size, the destruction of the solid's crystal structure, and the specificity of hydrogen-bonding interactions, as well as opportunities to predict the solubility at extrapolated temperatures. Testing the original and the improved methods on a large industrial dataset including solvent blends, fit qualities improved from 0.89 to 0.97 and the percentage of correct predictions rose from 54 % to 78 %. Full Matlab scripts are included in the Supporting Information, allowing readers to implement these improvements on their own datasets. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Systematic Approach to Solvent Selection Based on Cohesive Energy Densities in a Molecular Bulk Heterojunction System

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

Walker, Bright; Tamayo, Arnold; Duong, Duc T.

The solubilities of 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione (DPP(TBFu)₂) and [6,6]-phenyl-C₇₁-butyric acid methyl ester (PC₇₁BM) in a series of solvents are measured, and this data is used to calculate the Hansen solubility parameters of the two materials. The dispersion, polar, and H-bonding parameters of DPP(TBFu)₂ and PC₇₁BM were found to be (19.3, 4.8, 6.3) and (20.2, 5.4, 4.5) MPa{sup 1/2}, respectively, with an error of ± 0.8 MPa{sup 1/2}. Based on the solubility properties of the two materials, three new solvents (thiophene, trichloroethylene and carbon disulfide) were utilized for the DPP(TBFu)₂:PC₇₁BM system which, after device optimization, led to power conversion efficiencies up to 4.3%.

Modeling multi-source flooding disaster and developing simulation framework in Delta

NASA Astrophysics Data System (ADS)

Liu, Y.; Cui, X.; Zhang, W.

2016-12-01

Most Delta regions of the world are densely populated and with advanced economies. However, due to impact of the multi-source flooding (upstream flood, rainstorm waterlogging, storm surge flood), the Delta regions is very vulnerable. The academic circles attach great importance to the multi-source flooding disaster in these areas. The Pearl River Delta urban agglomeration in south China is selected as the research area. Based on analysis of natural and environmental characteristics data of the Delta urban agglomeration(remote sensing data, land use data, topographic map, etc.), hydrological monitoring data, research of the uneven distribution and process of regional rainfall, the relationship between the underlying surface and the parameters of runoff, effect of flood storage pattern, we use an automatic or semi-automatic method for dividing spatial units to reflect the runoff characteristics in urban agglomeration, and develop an Multi-model Ensemble System in changing environment, including urban hydrologic model, parallel computational 1D&2D hydrodynamic model, storm surge forecast model and other professional models, the system will have the abilities like real-time setting a variety of boundary conditions, fast and real-time calculation, dynamic presentation of results, powerful statistical analysis function. The model could be optimized and improved by a variety of verification methods. This work was supported by the National Natural Science Foundation of China (41471427); Special Basic Research Key Fund for Central Public Scientific Research Institutes.

PTW-diamond detector: dose rate and particle type dependence.

PubMed

Fidanzio, A; Azario, L; Miceli, R; Russo, A; Piermattei, A

2000-11-01

In this paper the suitability of a PTW natural diamond detector (DD) for relative and reference dosimetry of photon and electron beams, with dose per pulse between 0.068 mGy and 0.472 mGy, was studied and the results were compared with those obtained by a stereotactic silicon detector (SFD). The results show that, in the range of the examined dose per pulse the DD sensitivity changes up to 1.8% while the SFD sensitivity changes up to 4.5%. The fitting parameter, delta, used to correct the dose per pulse dependence of solid state detectors, was delta = 0.993 +/- 0.002 and delta = 1.025 +/- 0.002 for the diamond detector and for the silicon diode, respectively. The delta values were found to be independent of particle type of two conventional beams (a 10 MV x-ray beam and a 21 MeV electron beam). So if delta is determined for a radiotherapy beam, it can be used to correct relative dosimetry for other conventional radiotherapy beams. Moreover the diamond detector shows a calibration factor which is independent of beam quality and particle type, so an empirical dosimetric formalism is proposed here to obtain the reference dosimetry. This formalism is based on a dose-to-water calibration factor and on an empirical coefficient, that takes into account the reading dependence on the dose per pulse.

Modeling Surface Water Flow in the Atchafalaya Basin

NASA Astrophysics Data System (ADS)

Liu, K.; Simard, M.

2017-12-01

While most of the Mississippi River Delta is sinking due to insufficient sediment supply and subsidence, the stable wetlands and the prograding delta systems in the Atchafalaya Basin provide a unique opportunity to study the constructive interactions between riverine and marine forcings and their impacts upon coastal morphology. To better understand the hydrodynamics in this region, we developed a numerical modeling system for the water flow through the river channel - deltas - wetlands networks in the Atchafalaya Basin. Determining spatially varying model parameters for a large area composed of such diverse land cover types poses a challenge to developing an accurate numerical model. For example, the bottom friction coefficient can not be measured directly and the available elevation maps for the wetlands in the basin are inaccurate. To overcome these obstacles, we developed the modeling system in three steps. Firstly, we modeled river bathymetry based on in situ sonar transects and developed a simplified 1D model for the Wax Lake Outlet using HEC-RAS. Secondly, we used a Bayesian approach to calibrate the model automatically and infer important unknown parameters such as riverbank elevation and bottom friction coefficient through Markov Chain Monte Carlo (MCMC) simulations. We also estimated the wetland elevation based on the distribution of different vegetation species in the basin. Thirdly, with the lessons learnt from the 1D model, we developed a depth-averaged 2D model for the whole Atchafalaya Basin using Delft3D. After calibrations, the model successfully reproduced the water levels measured at five gauges in the Wax Lake Outlet and the modeled water surface profile along the channel agreed reasonably well with our LIDAR measurements. In addition, the model predicted a one-hour delay in tidal phase from the Wax Lake Delta to the upstream gauge. In summary, this project presents a procedure to initialize hydrology model parameters that integrates field measurements, existing knowledge and model sensitivities. The numerical model provides a powerful tool to understand the complex patterns of water flow and exchange in the rivers, tributaries, and wetlands of the Atchafalaya Basin.

Soluble Milk Protein Supplementation with Moderate Physical Activity Improves Locomotion Function in Aging Rats.

PubMed

Lafoux, Aude; Baudry, Charlotte; Bonhomme, Cécile; Le Ruyet, Pascale; Huchet, Corinne

2016-01-01

Aging is associated with a loss of muscle mass and functional capacity. Present study was designed to compare the impact of specific dairy proteins on muscular function with or without a low-intensity physical activity program on a treadmill in an aged rat model. We investigated the effects of nutritional supplementation, five days a week over a 2-month period with a slow digestible protein, casein or fast digestible proteins, whey or soluble milk protein, on strength and locomotor parameters in sedentary or active aged Wistar RjHan rats (17-19 months of age). An extensive gait analysis was performed before and after protein supplementation. After two months of protein administration and activity program, muscle force was evaluated using a grip test, spontaneous activity using an open-field and muscular mass by specific muscle sampling. When aged rats were supplemented with proteins without exercise, only minor effects of different diets on muscle mass and locomotion were observed: higher muscle mass in the casein group and improvement of stride frequencies with soluble milk protein. By contrast, supplementation with soluble milk protein just after physical activity was more effective at improving overall skeletal muscle function in old rats compared to casein. For active old rats supplemented with soluble milk protein, an increase in locomotor activity in the open field and an enhancement of static and dynamic gait parameters compared to active groups supplemented with casein or whey were observed without any differences in muscle mass and forelimb strength. These results suggest that consumption of soluble milk protein as a bolus immediately after a low intensity physical activity may be a suitable nutritional intervention to prevent decline in locomotion in aged rats and strengthen the interest to analyze the longitudinal aspect of locomotion in aged rodents.

Soluble Milk Protein Supplementation with Moderate Physical Activity Improves Locomotion Function in Aging Rats

PubMed Central

Lafoux, Aude; Baudry, Charlotte; Bonhomme, Cécile; Le Ruyet, Pascale; Huchet, Corinne

2016-01-01

Aging is associated with a loss of muscle mass and functional capacity. Present study was designed to compare the impact of specific dairy proteins on muscular function with or without a low-intensity physical activity program on a treadmill in an aged rat model. We investigated the effects of nutritional supplementation, five days a week over a 2-month period with a slow digestible protein, casein or fast digestible proteins, whey or soluble milk protein, on strength and locomotor parameters in sedentary or active aged Wistar RjHan rats (17–19 months of age). An extensive gait analysis was performed before and after protein supplementation. After two months of protein administration and activity program, muscle force was evaluated using a grip test, spontaneous activity using an open-field and muscular mass by specific muscle sampling. When aged rats were supplemented with proteins without exercise, only minor effects of different diets on muscle mass and locomotion were observed: higher muscle mass in the casein group and improvement of stride frequencies with soluble milk protein. By contrast, supplementation with soluble milk protein just after physical activity was more effective at improving overall skeletal muscle function in old rats compared to casein. For active old rats supplemented with soluble milk protein, an increase in locomotor activity in the open field and an enhancement of static and dynamic gait parameters compared to active groups supplemented with casein or whey were observed without any differences in muscle mass and forelimb strength. These results suggest that consumption of soluble milk protein as a bolus immediately after a low intensity physical activity may be a suitable nutritional intervention to prevent decline in locomotion in aged rats and strengthen the interest to analyze the longitudinal aspect of locomotion in aged rodents. PMID:27973615

Torsional stress impedance and magneto-impedance in (Co0.95Fe0.05)72.5 Si12.5B15 amorphous wire with helical induced anisotropy

NASA Astrophysics Data System (ADS)

Blanco, J. M.; Zhukov, A. P.; González, J.

1999-12-01

The magneto-impedance effect icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/ZH = [Z(H)-Z(Hmax)]/Z(Hmax) has been measured in (Fe0.95Co0.05)72.5B15Si12.5 wire under torsion stress, icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/> (torsion angle per unit length) with axial magnetic field (H) as parameter. Without stress (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)H(H) dependence has a non-monotonous shape with first an increase of total impedance Z and then a decrease, i.e. shows a maximum at certain axial magnetic field Hm. It was found that the torsion stress dependence of electrical impedance (torsion impedance), (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="MIDDLE"/> = [Z(icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/>)-Z(icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/>max)]/Z(icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/>max), has asymmetric character with a clear maximum at torsion angle, icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/> around 7icons/Journals/Common/pi" ALT="pi" ALIGN="TOP"/> rad m-1 in as-cast wire, while (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="MIDDLE"/> reaches a maximum around 170%. Thermal treatments under torsion stress (without and with a previous annealing stage) develop a helical anisotropy on the amorphous wire, which drastically modifies the (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="MIDDLE"/> response. Such treatments were carried out by using current annealing which resulted in a drastic increase of the maximum (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="MIDDLE"/> up to 225%, and a change of torsion dependence of icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z with a tendency to a finally symmetric dependence of (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="MIDDLE"/>(icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/>). The maximum (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="MIDDLE"/> ratio, (icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Z/Z)icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/> m, was obtained under torsion stress of icons/Journals/Common/xi" ALT="xi" ALIGN="TOP"/> = 20icons/Journals/Common/pi" ALT="pi" ALIGN="TOP"/> rad m-1 (in a torsion annealed sample) and = 11 rad m-1 (with pre-annealing and torsion annealing). Observed dependences were explained taking into account the frozen-in magneto-elastic anisotropy owing to the internal stress distribution during the fabrication process, the helical anisotropies induced by the torsion strain and that developed by thermal treatment under torsion stress (torsion annealing). The differences in the shape and intensity of the maximum ( Z/Z) m between the torsion annealed and pre-annealed and torsion annealed samples should be ascribed to the visco-elastic character of the helical anisotropy induced by torsion stress.

An introduction to high-frequency nutrient and biogeochemical monitoring for the Sacramento–San Joaquin Delta, northern California

USGS Publications Warehouse

Kraus, Tamara E.C.; Bergamaschi, Brian A.; Downing, Bryan D.

2017-07-11

Executive SummaryThis report is the first in a series of three reports that provide information about high-frequency (HF) nutrient and biogeochemical monitoring in the Sacramento–San Joaquin Delta of northern California (Delta). This first report provides an introduction to the reasons for and fundamental concepts behind collecting HF measurements, and describes the benefits associated with a real-time, continuous, HF, multi-parameter water quality monitoring station network that is co-located with flow stations. It then provides examples of how HF nutrient measurements have improved our understating of nutrient sources and cycling in aquatic systems worldwide, followed by specific examples from the Delta. These examples describe the ways in which HF instrumentation may be used for both fixed-station and spatial assessments. The overall intent of this document is to describe how HF measurements currently (2017) are being used in the Delta to examine the relationship between nutrient concentrations, nutrient cycling, and aquatic habitat conditions.The second report in the series (Downing and others, 2017) summarizes information about HF nutrient and associated biogeochemical monitoring in the northern Delta. The report synthesizes data available from the nutrient and water quality monitoring network currently operated by the U.S. Geological Survey in this ecologically important region of the Delta. In the report, we present and discuss the available data at various timescales—first, at the monthly, seasonal, and inter-annual timescales; and, second, for comparison, at the tidal and event (for example, storms, reservoir releases, phytoplankton blooms) timescales. As expected, we determined that there is substantial variability in nitrate concentrations at short timescales within hours, but also significant variability at longer timescales such as months or years. This multi-scale, high variability affects calculation of fluxes and loads, indicating that HF monitoring is necessary for understanding and assessing flux-based processes and outcomes in tidal environments, such as the Delta.The third report in the series (Bergamaschi and others, 2017) provides information about how to design HF nutrient and biogeochemical monitoring for assessment of nutrient inputs and dynamics in the Delta. The report provides background, principles, and considerations for designing an HF nutrient-monitoring network for the Sacramento–San Joaquin Delta to address high-priority, nutrient-management questions. The report starts with high-priority management questions to be addressed, continues with questions and considerations that place demands and constraints on network design, discusses the principles applicable to network design, and concludes with the presentation of three example nutrient‑monitoring network designs for the Delta. For the three example networks, we assess how they would address high-priority questions identified by the Delta Regional Monitoring Program (Delta Regional Monitoring Program Technical Advisory Committee, 2015).

PARAMETERS OF TEXTURE CHANGE IN PROCESSED FISH: CROSS-LINKAGE OF PROTEINS.

PubMed

Mao, Wei-Wen; Sterling, Clarence

1970-11-01

Soluble myosin and insoluble protein (i. e., soluble only in 5 % sodium dodecyl sulfate) were obtained from fresh and processed Sacramento blackfish and analyzed for the existence of possible cross-links. Free sulfhydryl groups decreased somewhat in freezing and more in frozen storage. None were present after dehydration or cooking nor in any insoluble fractions, so that presumably these were oxidized in the formation of cross-links. Ester bonds were much more numerous in insoluble protein than in soluble myosin, but their relative content was not clearly related to processing. Aldehyde groups decreased in myosin after cooking and dehydration, and were absent from insoluble protein. The presumptive Schiff base content was somewhat greater in soluble protein than in myosin and appeared to increase upon freezing and dehydration.

A New Approach for Obtaining Cosmological Constraints from Type Ia Supernovae using Approximate Bayesian Computation

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

Jennings, Elise; Wolf, Rachel; Sako, Masao

2016-11-09

Cosmological parameter estimation techniques that robustly account for systematic measurement uncertainties will be crucial for the next generation of cosmological surveys. We present a new analysis method, superABC, for obtaining cosmological constraints from Type Ia supernova (SN Ia) light curves using Approximate Bayesian Computation (ABC) without any likelihood assumptions. The ABC method works by using a forward model simulation of the data where systematic uncertainties can be simulated and marginalized over. A key feature of the method presented here is the use of two distinct metrics, the `Tripp' and `Light Curve' metrics, which allow us to compare the simulated data to the observed data set. The Tripp metric takes as input the parameters of models fit to each light curve with the SALT-II method, whereas the Light Curve metric uses the measured fluxes directly without model fitting. We apply the superABC sampler to a simulated data set ofmore » $$\\sim$$1000 SNe corresponding to the first season of the Dark Energy Survey Supernova Program. Varying $$\\Omega_m, w_0, \\alpha$$ and $$\\beta$$ and a magnitude offset parameter, with no systematics we obtain $$\\Delta(w_0) = w_0^{\\rm true} - w_0^{\\rm best \\, fit} = -0.036\\pm0.109$$ (a $$\\sim11$$% 1$$\\sigma$$ uncertainty) using the Tripp metric and $$\\Delta(w_0) = -0.055\\pm0.068$$ (a $$\\sim7$$% 1$$\\sigma$$ uncertainty) using the Light Curve metric. Including 1% calibration uncertainties in four passbands, adding 4 more parameters, we obtain $$\\Delta(w_0) = -0.062\\pm0.132$$ (a $$\\sim14$$% 1$$\\sigma$$ uncertainty) using the Tripp metric. Overall we find a $17$% increase in the uncertainty on $$w_0$$ with systematics compared to without. We contrast this with a MCMC approach where systematic effects are approximately included. We find that the MCMC method slightly underestimates the impact of calibration uncertainties for this simulated data set.« less

Microbial metabolism and dynamic changes in the electrical conductivity of soil solutions - A method for detecting extraterrestrial life

NASA Technical Reports Server (NTRS)

Silverman, M. P.; Munoz, E. F.

1974-01-01

Experiments are reported which show that measuring metabolic activity in soil solutions by means of dynamic changes in electrical conductivity, water-soluble Ca, or water-soluble Mg is a feasible life detection method. The addition of 0.5% glucose solutions to 12 different air-dried soils always resulted in increases in all three of these parameters. The kinetics and magnitude of these changes for at least two and usually all three of the parameters over a 14-day period were clearly distinguishable from the changes in heat-sterilized controls or unsterilized controls without added glucose. In general, maximal values were achieved more rapidly under aerobic than under anaerobic incubation.

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

Robertson, R.M.; Barnes, V.E.; Carmony, D.D.

The multiplicity-cross-section differences ..delta..sigma/sub n/ between p-barp and pp interactions are determined and are compared with measured annihilations and ..delta..sigma/sub n/ at other energies. To the extent that these cross-section differences measure the values of sigma/sup A//sub n/, the topological cross sections for annihilations, we present evidence for a decided break from a single-cluster-model prediction for the parameter f/sup A/--/sub 2/. Alternatively, a picture of precocious Koba-Nielsen-Olesen scaling in p-barp annihilations leads to a reasonably good representation of f/sup A/--/sub 2/ vs over the whole measured range. We find =7.57 +- 0.31, D/sup A/=2.77 +- 0.10, f/sup A/--/sub 2/=-1.86 +-more » 0.20, and /D=2.73 +- 0.15. Finally we observe a remarkable agreement with theoretical prediction for R/sup asterisk//sub n/=..delta..sigma/sub n//sigma/sub n/+2( pp), an experimental ratio based on a strict application of the counting rules for quark duality diagrams, and we thereby find evidence that in the topological-cross-section difference ..delta..sigma/sub n/ the small nonannihilation contribution becomes progressively more negligible as n increases.« less

Estimation of lake water - groundwater interactions in meromictic mining lakes by modelling isotope signatures of lake water.

PubMed

Seebach, Anne; Dietz, Severine; Lessmann, Dieter; Knoeller, Kay

2008-03-01

A method is presented to assess lake water-groundwater interactions by modelling isotope signatures of lake water using meteorological parameters and field data. The modelling of delta(18)O and deltaD variations offers information about the groundwater influx into a meromictic Lusatian mining lake. Therefore, a water balance model is combined with an isotope water balance model to estimate analogies between simulated and measured isotope signatures within the lake water body. The model is operated with different evaporation rates to predict delta(18)O and deltaD values in a lake that is only controlled by weather conditions with neither groundwater inflow nor outflow. Comparisons between modelled and measured isotope values show whether the lake is fed by the groundwater or not. Furthermore, our investigations show that an adaptation of the Craig and Gordon model [H. Craig, L.I. Gordon. Deuterium and oxygen-18 variations in the ocean and the marine atmosphere. In Stable Isotopes in Oceanographic Studies and Paleotemperature, Spoleto, E. Tongiorgi (Ed.), pp. 9-130, Consiglio Nazionale delle Ricerche, Laboratorio di Geologia Nucleare, Pisa (1965).] to specific conditions in temperate regions seems necessary.

Gravitational microlensing - The effect of random motion of individual stars in the lensing galaxy

NASA Technical Reports Server (NTRS)

Kundic, Tomislav; Wambsganss, Joachim

1993-01-01

We investigate the influence of random motion of individual stars in the lensing galaxy on the light curve of a gravitationally lensed background quasar. We compare this with the effects of the transverse motion of the galaxy. We find that three-dimensional random motion of stars with a velocity dispersion sigma in each dimension is more effective in producing 'peaks' in a microlensed light curve by a factor a about 1.3 than motion of the galaxy with a transverse velocity v(t) = sigma. This effectiveness parameter a seems to depend only weakly on the surface mass density. With an assumed transverse velocity of v(t) = 600 km/s of the galaxy lensing the QSO 2237+0305 and a measured velocity dispersion of sigma = 215 km/s, the expected rate of maxima in the light curves calculated for bulk motion alone has to be increased by about 10 percent due to the random motion of stars. As a consequence, the average time interval Delta t between two high-magnification events is smaller than the time interval Delta(t) bulk, calculated for bulk motion alone, Delta t about 0.9 Delta(t) bulk.

Effect of hemodialysis on factors influencing oxygen transport.

PubMed

Hirszel, P; Maher, J F; Tempel, G E; Mengel, C E

1975-06-01

Ten patients underwent 4 study hemodialyses, one with standard dialysis conditions, one with an isophosphate dialysate, one with simultaneous ammonium chloride loading, and other, after pretreatment, with sodium bicarbonate. Measurement of hemoglobin oxygen affinity (P-50), erythrocyte 2,3-DPG, blood-gasses, and serum chemistries revealed biochemically effective hemodialyses and slight changes in oxygen transport parameters. The P-50 (in vivo) values decreased slightly but significantly (p greater than 0.05) with dialysis. When corrected to pH 7.4, eliminating the Bohr effect, P-50 increased (p greater than 0.05). With unmodified dialysis elevated values of 2,3-DPG (in comparison to normal) decreased, a change that did not correlate with delta-p-50, delta-serum phosphate, or delta-serum creatinine. With standard and isophosphate dialyses Po-2 decreased significantly. The decrease correlated with delta-hydrogen ion concentration and did not occur with dialyses designed to maintain pH constant. Thus, hemodialysis influences many factors that affect oxygen transport in different and counterbalancing directions. These changes are not totally explained by alterations in 2,3-DPG, pH or serum phosphate. Maintenance of acidosis or hyperphosphatemia during dialysis is not recommended.

Survey Report on Cooper River, S.C. (Shoaling in Charleston Harbor), Appendix A, Supplement 3. Special Geological Investigations Utilizing Diagnostic Minerals.

DTIC Science & Technology

CLAY, COASTAL REGIONS, CYCLES, DELTAS, DEPOSITION, DIAGNOSIS(GENERAL), FINES, FLOW, GEOLOGY, GEOMORPHOLOGY, KAOLINITE , MATHEMATICAL MODELS, MINERALS...MODELS, MONTMORILLONITE , PARAMETERS, PETROGRAPHY, PROCESSING, RATIOS, RESIDUALS, RESPONSE, RIVERS, SALINITY, SAMPLING, SAND, SCHIST, SEDIMENTS

Comparative study of stability of soluble and cell wall invertase from Saccharomyces cerevisiae.

PubMed

Margetić, Aleksandra; Vujčić, Zoran

2017-03-16

Yeast Saccharomyces cerevisiae is the most significant source of enzyme invertase. It is mainly used in the food industry as a soluble or immobilized enzyme. The greatest amount of invertase is located in the periplasmic space in yeast. In this work, it was isolated into two forms of enzyme from yeast S. cerevisiae cell, soluble and cell wall invertase (CWI). Both forms of enzyme showed same temperature optimum (60°C), similar pH optimum, and kinetic parameters. The significant difference between these biocatalysts was observed in their thermal stability, stability in urea and methanol solution. At 60°C, CWI had 1.7 times longer half-life than soluble enzyme, while at 70°C CWI showed 8.7 times longer half-life than soluble enzyme. After 2-hr of incubation in 8 M urea solution, soluble invertase and CWI retained 10 and 60% of its initial activity, respectively. During 22 hr of incubation of both enzymes in 30 and 40% methanol, soluble invertase was completely inactivated, while CWI changed its activity within the experimental error. Therefore, soluble invertase and CWI have not shown any substantial difference, but CWI showed better thermal stability and stability in some of the typical protein-denaturing agents.

Solubility of pharmaceuticals: A comparison between SciPharma, a PC-SAFT-based approach, and NRTL-SAC

NASA Astrophysics Data System (ADS)

Bouillot, Baptiste; Spyriouni, Theodora; Teychené, Sébastien; Biscans, Béatrice

2017-04-01

The solubility of seven pharmaceutical compounds (paracetamol, benzoic acid, 4-aminobenzoic acid, salicylic acid, ibuprofen, naproxen and temazepam) in pure and mixed solvents as a function of temperature is calculated with SciPharma, a semi-empirical approach based on PC-SAFT, and the NRTL-SAC model. To conduct a fair comparison between the approaches, the parameters of the compounds were regressed against the same solubility data, chosen to account for hydrophilic, polar and hydrophobic interactions. Only these solubility data were used by both models for predicting solubility in other pure and mixed solvents for which experimental data were available for comparison. A total of 386 pure solvent data points were used for the comparison comprising one or more temperatures per solvent. SciPharma is found to be more accurate than NRTL-SAC on the pure solvent data used especially in the description of the temperature dependence. This is due to the appropriate parameterization of the pharmaceuticals and the temperature-dependent description of the activity coefficient in PC-SAFT. The solubility in mixed solvents is predicted satisfactorily with SciPharma. NRTL-SAC tends to overestimate the solubility in aqueous solutions of alcohols or shows invariable solubility with composition in other cases.

Low-molecular-weight gelators: elucidating the principles of gelation based on gelator solubility and a cooperative self-assembly model.

PubMed

Hirst, Andrew R; Coates, Ian A; Boucheteau, Thomas R; Miravet, Juan F; Escuder, Beatriu; Castelletto, Valeria; Hamley, Ian W; Smith, David K

2008-07-16

This paper highlights the key role played by solubility in influencing gelation and demonstrates that many facets of the gelation process depend on this vital parameter. In particular, we relate thermal stability ( T gel) and minimum gelation concentration (MGC) values of small-molecule gelation in terms of the solubility and cooperative self-assembly of gelator building blocks. By employing a van't Hoff analysis of solubility data, determined from simple NMR measurements, we are able to generate T calc values that reflect the calculated temperature for complete solubilization of the networked gelator. The concentration dependence of T calc allows the previously difficult to rationalize "plateau-region" thermal stability values to be elucidated in terms of gelator molecular design. This is demonstrated for a family of four gelators with lysine units attached to each end of an aliphatic diamine, with different peripheral groups (Z or Boc) in different locations on the periphery of the molecule. By tuning the peripheral protecting groups of the gelators, the solubility of the system is modified, which in turn controls the saturation point of the system and hence controls the concentration at which network formation takes place. We report that the critical concentration ( C crit) of gelator incorporated into the solid-phase sample-spanning network within the gel is invariant of gelator structural design. However, because some systems have higher solubilities, they are less effective gelators and require the application of higher total concentrations to achieve gelation, hence shedding light on the role of the MGC parameter in gelation. Furthermore, gelator structural design also modulates the level of cooperative self-assembly through solubility effects, as determined by applying a cooperative binding model to NMR data. Finally, the effect of gelator chemical design on the spatial organization of the networked gelator was probed by small-angle neutron and X-ray scattering (SANS/SAXS) on the native gel, and a tentative self-assembly model was proposed.

STT Doubles with Large Delta_M - Part VIII: Tau Per Ori Cam Mon Cnc Peg

NASA Astrophysics Data System (ADS)

Knapp, Wilfried; Nanson, John

2017-04-01

The results of visual double star observing sessions suggested a pattern for STT doubles with large delta_M of being harder to resolve than would be expected based on the WDS catalog data. It was felt this might be a problem with expectations on one hand, and on the other might be an indication of a need for new precise measurements, so we decided to take a closer look at a selected sample of STT doubles and do some research. Again like for the other STT objects covered so far several of the components show parameters quite different from the current WDS data.

Historical floods in the Dutch Rhine Delta

NASA Astrophysics Data System (ADS)

Glaser, R.; Stangl, H.

Historical records provide direct information about the climatic impact on society. Especially great natural disasters such as river floods have been for long attracting the attention of humankind. Time series for flood development on the Rhine branches Waal, Nederrijn/Lek and IJssel in the Dutch Rhine Delta are presented in this paper. In the case of the Waal it is even possible to compare historical flood frequencies based on documentary data with the recent development reconstructed from standardized instrumental measurements. In brief, we will also discuss various parameters concerning the structure of the flood series and the "human dimension" of natural disaster, i.e. the vulnerability of society when facing natural disasters.

Group vector space method for estimating enthalpy of vaporization of organic compounds at the normal boiling point.

PubMed

Wenying, Wei; Jinyu, Han; Wen, Xu

2004-01-01

The specific position of a group in the molecule has been considered, and a group vector space method for estimating enthalpy of vaporization at the normal boiling point of organic compounds has been developed. Expression for enthalpy of vaporization Delta(vap)H(T(b)) has been established and numerical values of relative group parameters obtained. The average percent deviation of estimation of Delta(vap)H(T(b)) is 1.16, which show that the present method demonstrates significant improvement in applicability to predict the enthalpy of vaporization at the normal boiling point, compared the conventional group methods.

RR Lyrae, Delta Scuti, SX Phoenicis stars and Baade-Wesselink method. I - Photometric and radial velocity measurements of four field stars - RR Cet, DX Del, BS AQR and DY Peg

NASA Astrophysics Data System (ADS)

Meylan, G.; Burki, G.; Rufener, F.; Mayor, M.; Burnet, M.; Ischi, E.

1986-04-01

Simultaneous measurements in the Geneva seven-color photometry and in radial velocities with the spectrophotometer CORAVEL for two RR Lyrae, one Delta Scuti and one SX Phoenicis field star were obtained in order to apply the Baade-Wesselink method to these kinds of variable stars. As a first step, the data regarding the RR Cet, DX Del, BS Aqr, and DY Peg are presented. The target of this study will consist in determining the physical parameters (temperature, gravity, metal content, mass, luminosity) and distances of these stars.

Delta-doping optimization for high quality p-type GaN

NASA Astrophysics Data System (ADS)

Bayram, C.; Pau, J. L.; McClintock, R.; Razeghi, M.

2008-10-01

Delta (δ -) doping is studied in order to achieve high quality p-type GaN. Atomic force microscopy, x-ray diffraction, photoluminescence, and Hall measurements are performed on the samples to optimize the δ-doping characteristics. The effect of annealing on the electrical, optical, and structural quality is also investigated for different δ-doping parameters. Optimized pulsing conditions result in layers with hole concentrations near 1018 cm-3 and superior crystal quality compared to conventional p-GaN. This material improvement is achieved thanks to the reduction in the Mg activation energy and self-compensation effects in δ-doped p-GaN.

Delta function excitation of waves in the earth's ionosphere

NASA Technical Reports Server (NTRS)

Vidmar, R. J.; Crawford, F. W.; Harker, K. J.

1983-01-01

Excitation of the earth's ionosphere by delta function current sheets is considered, and the temporal and spatial evolution of wave packets is analyzed for a two-component collisional F2 layer. Approximations of an inverse Fourier-Laplace transform via saddle point methods provide plots of typical wave packets. These illustrate cold plasma wave theory and may be used as a diagnostic tool since it is possible to relate specific features, e.g., the frequency of a modulation envelope, to plasma parameters such as the electron cyclotron frequency. It is also possible to deduce the propagation path length and orientation of a remote radio beacon.

Sensor performance analysis

NASA Technical Reports Server (NTRS)

Montgomery, H. E.; Ostrow, H.; Ressler, G. M.

1990-01-01

The theory is described and the equations required to design are developed and the performance of electro-optical sensor systems that operate from the visible through the thermal infrared spectral regions are analyzed. Methods to compute essential optical and detector parameters, signal-to-noise ratio, MTF, and figures of merit such as NE delta rho and NE delta T are developed. A set of atmospheric tables are provided to determine scene radiance in the visible spectral region. The Planck function is used to determine radiance in the infrared. The equations developed were incorporated in a spreadsheet so that a wide variety of sensor studies can be rapidly and efficiently conducted.

Pervaporation of Water-Dye, Alcohol-Dye, and Water-Alcohol Mixtures Using a Polyphosphazene Membrane

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

Orme, Christopher Joseph; Harrup, Mason Kurt; Mccoy, John Dwane

A novel phosphazene heteropolymer (HPP) was synthesized that contained three differing pendant groups: 2-(2-methoxyethoxy)ethanol (MEE), 4-methoxyphenol, and 2-allylphenol. The resulting polymer is an amorphous elastomer with good film forming properties where MEE and 4-methoxyphenol pendant groups influenced the hydrophilicity and the solvent compatibility of the polymer. Sorption studies were performed to characterize the polymer in terms of Hansen solubility parameters. Additionally, group contributions were used to predict the Hansen parameters for the polymer and these data compared favorably with the observed solubility behavior with 15 solvents that ranged from hydrocarbons to water. Homopolymers synthesized from MEE and 4-methoxyphenol were alsomore » studied for solubility revealing different behaviors with each representing a limit in hydrophilicity; MEE formed a water-soluble hydrophilic polymer and 4-methoxyphenol yielded a hydrophobic polymer. Membranes formed from HPP were characterized for use as pervaporation membranse using five different feeds: water–dye, methanol–dye, 2-propanol–dye, water–2-propanol, and water–methanol. Fluxes of methanol and isopropanol were greater than for water. For the alcohol–water separations, the alcohol was the favored permeate in all cases with higher fluxes observed for higher alcohol feed concentrations, however, separation factors declined.« less

Parameters influencing the course of passive drug loading into lipid nanoemulsions.

PubMed

Göke, Katrin; Bunjes, Heike

2018-05-01

Passive drug loading can be used to effectively identify suitable colloidal lipid carrier systems for poorly water-soluble drugs. This method comprises incubation of preformed carrier systems with drug powder and subsequent determination of the resulting drug load of the carrier particles. Until now, the passive loading mechanism is unknown, which complicates reliable routine use. In this work, the influence of drug characteristics on the course of passive loading was investigated systematically varying drug surface area and drug solubility. Fenofibrate and flufenamic acid were used as model drugs; the carrier system was a trimyristin nanodispersion. Loading progress was analyzed by UV spectroscopy or by a novel method based on differential scanning calorimetry. While increasing drug solubility by micelle incorporation did not speed up passive loading, a large drug surface area and high water solubility were key parameters for fast loading. Since both factors are crucial in drug dissolution as described by the Noyes-Whitney equation, these findings point to a dissolution-diffusion-based passive loading mechanism. Accordingly, passive loading also occurred when drug and carrier particles were separated by a dialysis membrane. Knowledge of the loading mechanism allows optimizing the conditions for future passive loading studies and assessing the limitations of the method. Copyright © 2017 Elsevier B.V. All rights reserved.

Controlled poorly soluble drug release from solid self-microemulsifying formulations with high viscosity hydroxypropylmethylcellulose.

PubMed

Yi, Tao; Wan, Jiangling; Xu, Huibi; Yang, Xiangliang

2008-08-07

The objective of this work was the development of a controlled release system based on self-microemulsifying mixture aimed for oral delivery of poorly water-soluble drugs. HPMC-based particle formulations were prepared by spray drying containing a model drug (nimodipine) of low water solubility and hydroxypropylmethylcellulose (HPMC) of high viscosity. One type of formulations contained nimodipine mixed with HPMC and the other type of formulations contained HPMC and nimodipine dissolved in a self-microemulsifying system (SMES) consisting of ethyl oleate, Cremophor RH 40 and Labrasol. Based on investigation by transmission electron microscopy (TEM), scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and X-ray powder diffraction, differences were found in the particle structure between both types of formulations. In vitro release was performed and characterized by the power law. Nimodipine release from both types of formulations showed a controlled release profile and the two power law parameters, n and K, correlated to the viscosity of HPMC. The parameters were also influenced by the presence of SMES. For the controlled release solid SMES, oil droplets containing dissolved nimodipine diffused out of HPMC matrices following exposure to aqueous media. Thus, it is possible to control the in vitro release of poorly soluble drugs from solid oral dosage forms containing SMES.

An investigation of the thermodynamic miscibility between VeTPGS and polymers.

PubMed

Li, Jinjiang; Chiappetta, Doris

2008-02-28

Within the past decade, more than half of the drug candidates generated are poorly water soluble and therefore overcoming the low aqueous solubility of drug candidates becomes critical for product development. Vitamin E TPGS (VeTPGS), a non-ionic surfactant, has been used in both liquid and solid dosage forms to solubilize compounds and improve their bioavailability. To prepare solid dosage forms using VeTPGS, VeTPGS is often mixed with other excipients, mostly polymers. However, there is still a lack of understanding of miscibility between VeTPGS and polymers from a thermodynamic point of view. In this paper, the miscibility of VeTPGS with polymers has been studied in the light of the Flory-Huggins (F-H) theory with an objective to understand the effect of dispersion forces (solubility parameter) and nondispersive interactions on the miscibility between VeTPGS and polymers. A series of polymers with similar solubility parameters and structure similarity were selected. Binary blends of polymers and VeTPGS were prepared using a vapor evaporation technique followed by XRPD, DSC, and SEM characterization. Results suggest that the miscibility between VeTPGS and PMMA is very likely due to a specific interaction between the hydrophobic portion of VeTPGS (Vitamin E) and PMMA.

Role of Self-Association and Supersaturation in Oral Absorption of a Poorly Soluble Weakly Basic Drug.

PubMed

Narang, Ajit S; Badawy, Sherif; Ye, Qingmei; Patel, Dhaval; Vincent, Maria; Raghavan, Krishnaswamy; Huang, Yande; Yamniuk, Aaron; Vig, Balvinder; Crison, John; Derbin, George; Xu, Yan; Ramirez, Antonio; Galella, Michael; Rinaldi, Frank A

2015-08-01

Precipitation of weakly basic drugs in intestinal fluids can affect oral drug absorption. In this study, the implications of self-association of brivanib alaninate in acidic aqueous solution, leading to supersaturation at basic pH condition, on its solubility and oral absorption were investigated. Self-association of brivanib alaninate was investigated by proton NMR spectroscopy, surface tension measurement, dynamic light scattering, isothermal titration calorimetry, and molecular modeling. Drug solubility was determined in various pH media, and its tendency to supersaturate upon pH shift was investigated in buffered and biorelevant aqueous solutions. Pharmacokinetic modeling of human oral drug absorption was utilized for parameter sensitivity analyses of input variables. Brivanib alaninate exhibited continuous, and pH- and concentration-dependent self-association. This phenomenon resulted in positive deviation of drug solubility at acidic pH and the formation of a stable supersaturated drug solution in pH-shift assays. Consistent with the supersaturation phenomenon observed in vitro, oral absorption simulations necessitated invoking long precipitation time in the intestine to successfully predict in vivo data. Self-association of a weakly basic drug in acidic aqueous solution can increase its oral absorption by supersaturation and precipitation resistance at the intestinal pH. This consideration is important to the selection of parameters for oral absorption simulation.

The Influence of Sediment Isostatic Adjustment on Sea-Level Change and Land Motion along the US Gulf Coast

NASA Astrophysics Data System (ADS)

Kuchar, J.; Milne, G. A.; Wolstencroft, M.; Love, R.; Tarasov, L.; Hijma, M.

2017-12-01

Sea level rise presents a hazard for coastal populations and the Mississippi Delta (MD) is a region particularly at risk due to the high rates of land subsidence. We apply a gravitationally self-consistent model of glacial and sediment isostatic adjustment (SIA) along with a realistic sediment load reconstruction in this region for the first time to determine isostatic contributions to relative sea level (RSL) and land motion. We determine optimal model parameters (Earth rheology and ice history) using a new high quality compaction-free sea level indicator database and a parameter space of four ice histories and 400 Earth rheologies. Using the optimal model parameters, we show that SIA is capable of lowering predicted RSL in the MD area by several metres over the Holocene and so should be taken into account when modelling these data. We compare modelled contemporary rates of vertical land motion with those inferred using GPS. This comparison indicates that isostatic processes can explain the majority of the observed vertical land motion north of latitude 30.7oN, where subsidence rates average about 1 mm/yr; however, vertical rates south of this latitude shows large data-model discrepancies of greater than 3 mm/yr, indicating the importance of non-isostatic processes controlling the observed subsidence. This discrepancy extends to contemporary RSL change, where we find that the SIA contribution in the Delta is on the order of 10-1 mm per year. We provide estimates of the isostatic contributions to 20th and 21st century sea level rates at Gulf Coast PSMSL tide gauge locations as well as vertical and horizontal land motion at GPS station locations near the Mississippi Delta.

Stability and stability degree of a cracked flexible rotor supported on journal bearings

NASA Technical Reports Server (NTRS)

Meng, Guang; Gasch, Robert

1994-01-01

This paper investigates the stability and the stability degree of a flexible cracked rotor supported on different kinds of journal bearings. It is found that no matter what kind of bearings is used, the unstable zones caused by rotor crack locate always within the speed ratio (2/N) (1 - Delta K(sub xi)/4) is less than Omega is less than 2/N when gravity parameter W(sub R) is greater than 1.0, and locate always within the speed ratio (2 Omega(sub alpha)/N) (1 - Delta K(sub xi)/4) is less than Omega is less than 2 Omega(sub alpha)/N when W(sub R) is less than 0.1, where Delta K(sub xi) is the crack stiffness ratio, N = 1, 2, 3, 4, 5, ..., and Omega(sub alpha) = ((1 + 2 alpha)/2 alpha)(exp 1/2). When 0.1 is less than W(sub R) is less than 1.0, there is a region where no unstable zones caused by rotor crack exist. Outside the crack ridge zones, the rotor crack has almost no influence on system's stability and stability degree; while within the crack ridge zones, the stability and stability degree depend both on the crack and system's parameters. In some cases, the system may still be stable even when the crack is very large. For small gravity parameter (W(sub R) is less than 0.1), the mass ratio alpha has large influence on the position of unstable region, but its influence on the stability degree is small. The influence of fixed Sommerfeld number S(sub 0) on the crack stability degree is small although S(sub 0) has large influence on the stability degree of uncracked rotor.

Preparation of free, soluble conjugate, and insoluble-bound phenolic compounds from peels of rambutan (Nephelium lappaceum) and evaluation of antioxidant activities in vitro.

PubMed

Sun, Liping; Zhang, Huilin; Zhuang, Yongliang

2012-02-01

The soluble phenolic compounds of rambutan peels (RP) were extracted by microwave-assisted extraction (MAE) and the operating parameters were optimized. The optimal conditions obtained were ethanol concentration of 80.85%, extraction time of 58.39 s, and the ratio of liquid to solid of 24.51:1. The soluble phenolic content by MAE was 213.76 mg GAE/g DW. The free, soluble conjugate, and insoluble-boaund phenolic compounds were prepared by alkaline hydrolysis, and the contents of 3 fractions were 185.12, 27.98 and 9.37 mg GAE/g DW, respectively. The contents of syringic acid and p-coumaric acid were high in the free fraction, showing 16.86 and 19.44 mg/g DW, and the soluble conjugate and insoluble-bound phenolics were mainly composed of gallic acid and caffeic acid. Furthermore, the antioxidant activities of 3 fractions were evaluated in 5 model systems. Results indicated that the free fraction had high antioxidant activities, compared with the soluble conjugate and insoluble-bound fractions. © 2012 Institute of Food Technologists®

Extending the performance of KrF laser for microlithography by using novel F2 control technology

NASA Astrophysics Data System (ADS)

Zambon, Paolo; Gong, Mengxiong; Carlesi, Jason; Padmabandu, Gunasiri G.; Binder, Mike; Swanson, Ken; Das, Palash P.

2000-07-01

Exposure tools for 248nm lithography have reached a level of maturity comparable to those based on i-line. With this increase in maturity, there is a concomitant requirement for greater flexibility from the laser by the process engineers. Usually, these requirements pertain to energy, spectral width and repetition rate. By utilizing a combination of laser parameters, the process engineers are often able to optimize throughput, reduce cost-of-operation or achieve greater process margin. Hitherto, such flexibility of laser operation was possible only via significant changes to various laser modules. During our investigation, we found that the key measure of the laser that impacts the aforementioned parameters is its F2 concentration. By monitoring and controlling its slope efficiency, the laser's F2 concentration may be precisely controlled. Thus a laser may tune to operate under specifications as diverse as 7mJ, (Delta) (lambda) FWHM < 0.3 pm and 10mJ, (Delta) (lambda) FWHM < 0.6pm and still meet the host of requirements necessary for lithography. We discus this new F2 control technique and highlight some laser performance parameters.

Determination of the Michel Parameters and the tau Neutrino Helicity in tau Decay

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

Jessop, Colin P.

2003-05-07

Using the CLEO II detector at the e{sup +}e{sup -} storage ring CESR, we have determined the Michel parameters {rho}, {zeta}, and {delta} in {tau}{sup {-+}}{nu}{bar {nu}} decay as well as the {tau} neutrino helicity parameter H{sub {nu}{sub {tau}}} in {tau}{sup {-+}}{pi}{sup 0}{nu} decay. From a data sample of 3.02 x 10{sup 6} {tau} pairs produced at {radical}s = 10.6 GeV, using events of the topology e{sup +}e{sup -} {yields} {tau}{sup +}{tau}{sup -} {yields} (l{sup {+-}}{nu}{bar {nu}})({pi}{sup {-+}}{pi}{sup 0}{nu}) and e{sup +}e{sup -} {yields} {tau}{sup +}{tau}{sup -} {yields} ({pi}{sup {+-}}{pi}{sup 0}{bar {nu}})({pi}{sup {-+}}{pi}{sup 0}{nu}), and the determined sign of h{submore » {nu}{sub {tau}}} [1,2], the combined result of the three samples is: {rho} = 0.747 {+-} 0.010 {+-} 0.006, {zeta} = 1.007 {+-} 0.040 {+-} 0.015, {zeta}{delta} = 0.745 {+-}0.026 {+-}0.009, and h{sub {nu}{sub {tau}}} = -0.995 {+-} 0.010 {+-} 0.003. The results are in agreement with the Standard Model V-A interaction.« less

Partition Coefficients of Organics between Water and Carbon Dioxide Revisited: Correlation with Solute Molecular Descriptors and Solvent Cohesive Properties.

PubMed

Roth, Michal

2016-12-06

High-pressure phase behavior of systems containing water, carbon dioxide and organics has been important in several environment- and energy-related fields including carbon capture and storage, CO 2 sequestration and CO 2 -assisted enhanced oil recovery. Here, partition coefficients (K-factors) of organic solutes between water and supercritical carbon dioxide have been correlated with extended linear solvation energy relationships (LSERs). In addition to the Abraham molecular descriptors of the solutes, the explanatory variables also include the logarithm of solute vapor pressure, the solubility parameters of carbon dioxide and water, and the internal pressure of water. This is the first attempt to include also the properties of water as explanatory variables in LSER correlations of K-factor data in CO 2 -water-organic systems. Increasing values of the solute hydrogen bond acidity, the solute hydrogen bond basicity, the solute dipolarity/polarizability, the internal pressure of water and the solubility parameter of water all tend to reduce the K-factor, that is, to favor the solute partitioning to the water-rich phase. On the contrary, increasing values of the solute characteristic volume, the solute vapor pressure and the solubility parameter of CO 2 tend to raise the K-factor, that is, to favor the solute partitioning to the CO 2 -rich phase.

A return to the genetic heritage of durum wheat to cope with drought heightened by climate change.

PubMed

Slama, Amor; Mallek-Maalej, Elhem; Ben Mohamed, Hatem; Rhim, Thouraya; Radhouane, Leila

2018-01-01

The objective of this work was to perform a comparative analysis of the physiological, biochemical and agronomical parameters of recent and heritage durum wheat cultivars (Triticum durum Desf.) under water-deficit conditions. Five cultivars were grown under irrigated (control) and rainfall (stressed) conditions. Different agro-physiological and biochemical parameters were studied: electrolyte leakage, relative water content, chlorophyll fluorescence, proline, soluble sugars, specific peroxidase activity, yield and drought stress indices. It was revealed that a water deficit increased proline content, electrolyte leakage, soluble sugars and specific peroxidase activity and decreased relative water content, fluorescence and grain yield. According to these parameters and drought stress indices, our investigation indicated that old cultivars are the best-adapted to local conditions and showed characteristics of drought tolerance, while recent cultivars showed more drought susceptibility. Therefore, local cultivars of each country should be kept by farmers and plant breeders to preserve their genetic heritage.

Experimental consideration of the Hansen solubility parameters of as-produced multi-walled carbon nanotubes by inverse gas chromatography.

PubMed

Lim, Hyeong Jun; Lee, Kunsil; Cho, Young Shik; Kim, Yern Seung; Kim, Taehoon; Park, Chong Rae

2014-09-07

The Hansen solubility parameters (HSPs) of as-produced multi-walled carbon nanotubes (APMWCNTs) were determined by means of the inverse gas chromatography (IGC) technique. Due to non-homogeneous surfaces of the APMWCNTs arising from defects and impurities, it was necessary to establish adequate working conditions for determining the HSPs of the CNTs. We then obtained the HSPs of the APMWCNTs and compared these results with earlier reports as determined by using sedimentation and molecular dynamics simulation methods. It was found that the determination of the HSPs of the CNTs by IGC can give an enhanced determination range based on the adsorption thermodynamic parameters, compared to the HSPs determined using sedimentation methods. And the HSPs of the APMWCNTs, determined here, provided good guidelines for the selection of feasible solvents that can improve the dispersion of the APMWCNTs.

Mass Transport through Nanostructured Membranes: Towards a Predictive Tool

PubMed Central

Darvishmanesh, Siavash; Van der Bruggen, Bart

2016-01-01

This study proposes a new mechanism to understand the transport of solvents through nanostructured membranes from a fundamental point of view. The findings are used to develop readily applicable mathematical models to predict solvent fluxes and solute rejections through solvent resistant membranes used for nanofiltration. The new model was developed based on a pore-flow type of transport. New parameters found to be of fundamental importance were introduced to the equation, i.e., the affinity of the solute and the solvent for the membrane expressed as the hydrogen-bonding contribution of the solubility parameter for the solute, solvent and membrane. A graphical map was constructed to predict the solute rejection based on the hydrogen-bonding contribution of the solubility parameter. The model was evaluated with performance data from the literature. Both the solvent flux and the solute rejection calculated with the new approach were similar to values reported in the literature. PMID:27918434

Surface-ground water interactions and hydrogeochemical evolution in a fluvio-deltaic setting: The case study of the Pinios River delta

NASA Astrophysics Data System (ADS)

Matiatos, Ioannis; Paraskevopoulou, Vasiliki; Lazogiannis, Konstantinos; Botsou, Fotini; Dassenakis, Manos; Ghionis, George; Alexopoulos, John D.; Poulos, Serafim E.

2018-06-01

River deltas sustain important ecosystems with rich biodiversity and large biomass, as well as human populations via the availability of water and food sources. Anthropogenic activities, such as urbanization, tourism and agriculture, may pose threats to river deltas. The knowledge of the factors controlling the regional water quality regime in these areas is important for planning sustainable use and management of the water resources. Here, hydrochemical methods and multivariate statistical techniques were combined to investigate the shallow aquifer of the Pinios River (Thessaly) deltaic plain with respect to water quality, hydrogeochemical evolution and interactions between groundwater and surface water bodies. Water quality assessment indicated that most of the river and groundwater samples fully comply with the criteria set by the Drinking Water Directive (98/83/EC). The river is recharged mainly from springs of the Tempi valley and the shallow aquifer, and to a lesser degree from precipitation, throughout the year. The hydrogeochemical characteristics indicated a cation (Ca, Mg, and Na) bicarbonate water type, which evolves to calcium-chloride, sodium-bicarbonate and sodium-chloride water type, in the northern part of the delta. Calcite and dolomite dissolution determined the major ion chemistry, but other processes, such as silicate weathering and cation exchange reactions, also contributed. In the northern part of the plain, the interaction with the deeper aquifer enriched the shallow aquifer with Na and Cl ions. Principal Component Analysis showed that five components (PCs) explain 77% of the total variance of water quality parameters; these are: (1) salinity; (2) water-silicate rocks interaction; (3) hardness due to calcite dissolution, and cation exchange processes; (4) nitrogen pollution; and (5) non-N-related artificial fertilizers. This study demonstrated that the variation of water hydrochemistry in the deltaic plain could be attributed to natural and anthropogenic processes. The interpretation of the PCA results dictated the parameters used for the development of a modified Water Quality Index (WQI), to provide a more comprehensive spatial representation of the water quality of the river delta.

Purification and kinetic characterization of recombinant human mitogen-activated protein kinase kinase kinase COT and the complexes with its cellular partner NF-kappa B1 p105.

PubMed

Jia, Yong; Quinn, Christopher M; Bump, Nancy J; Clark, Kevin M; Clabbers, Anca; Hardman, Jennifer; Gagnon, Andrew; Kamens, Joanne; Tomlinson, Medha J; Wishart, Neil; Allen, Hamish

2005-09-01

Cancer osaka thyroid (COT), a human MAP 3 K, is essential for lipopolysaccharide activation of the Erk MAPK cascade in macrophages. COT 30--467 is insoluble, whereas low levels of COT 30--397 can be expressed, but this protein is unstable. However, both COT 30--467 and COT 30--397 are expressed in a soluble and stable form when produced in complex with the C-terminal half of p105. The k(cat) of COT 30--397 is reduced approximately 47--fold in the COT 30--467/p105 Delta N complex. COT prefers Mn(2+) to Mg(2+) as the ATP metal cofactor, exhibiting an unusually high ATP K(m) in the presence of Mg(2+). When using Mn(2+) as the cofactor, the ATP K(m) is reduced to a level typical of most kinases. In contrast, the binding affinity of COT for its other substrate MEK is cofactor independent. Our results using purified proteins indicate that p105 binding improves COT solubility and stability while down-regulating kinase activity, consistent with cellular data showing that p105 functions as an inhibitor of COT.