ultraslow oligomerization equilibria: Topics by WorldWideScience.org

Tau inhibits tubulin oligomerization induced by prion protein

Using spectral hole-burning-based ultraslow group velocity in a dilute solid medium, we report enhanced photon echo efficiency three orders of magnitude higher than that in a nonslow light regime. The enhancement is due to exponentially increased absorption of an optical data pulse owing to the enhanced photon-atom interaction in an ultraslow light regime, whereas echo reabsorption is negligibly small due to group-velocity dependent population depletion.

2011-01-01

British Library Electronic Table of Contents (United Kingdom)

In previous studies we have demonstrated that prion protein (PrP) interacts with tubulin and disrupts microtubular cytoskeleton by inducing tubulin oligomerization. These observations may explain the molecular mechanism of toxicity of cytoplasmic PrP in transmissible spongiform encephalopathies (TSEs). Here, we check whether microtubule associated proteins (MAPs) that regulate microtubule stability, influence the PrP-induced oligomerization of tubulin. We show that tubulin preparations depleted of MAPs are more prone to oligomerization by PrP than those containing traces of MAPs. Tau protein, a major neuronal member of the MAPs family, reduces the effect of PrP. Importantly, phosphorylation of Tau abolishes its ability to affect the PrP-induced oligomerization of tubulin. We propose that t...

2011-01-01

Complex formation equilibria between At(I) and sulfur-containing podands

Mitochondrial Dysfunction: The Road to Alpha-Synuclein Oligomerization in PD

Published in summary form only.

1991-11-01

Amyloid oligomers: spectroscopic characterization of amyloidogenic protein states

While the etiology of Parkinson's disease remains largely elusive, there is accumulating evidence suggesting that mitochondrial dysfunction occurs prior to the onset of symptoms in Parkinson's disease....Full Text Available

British Library Electronic Table of Contents (United Kingdom)

It is assumed that protein fibrils manifested in amyloidosis result from an aggregation reaction involving small misfolded protein sequences being in an `oligomeric' or `prefibrillar' state. This review covers recent optical spectroscopic studies of amyloid protein misfolding, oligomerization and amyloid fibril growth. Although amyloid fibrils have been studied using established protein-characterization techniques throughout the years, their oligomeric precursor states require sensitive detection in real-time. Here, fluorescent staining is commonly performed using thioflavin T and other small fluorescent molecules such as 4-(dicyanovinyl)- julolidine and 1-amino-8-naphtalene sulphonate that have high affinity to hydrophobic patches. Thus, populated oligomeric intermediates and related `pre...

2010-01-01

Observations of time delayed all-optical routing in a slow light regime

Dynamics of Axial Separation in Long Rotating Drums

We report an observation of a delayed all-optical routing/switching phenomenon based on ultraslow group velocity of light via nondegenerate four-wave mixing processes in a defected solid medium. Unlike previous demonstrations of enhanced four-wave mixing processes using the slow light effects, the present observation demonstrates a direct retrieval of the resonant Raman-pulse excited spin coherence into photon coherence through coherence conversion processes.

2008-01-01

Use of Dimethyl Suberimidate, a Cross-Linking Reagent, in Studying the Subunit Structure of Oligomeric Proteins^*

We propose a continuum description for the axial separation of granular materials in a long rotating drum. The model, operating with two local variables, concentration difference and the dynamic angle of repose, describes both initial transient traveling wave dynamics and long-term segregation of the binary mixture. Segregation proceeds through ultraslow logarithmic coarsening. {copyright} {ital 1999} {ital The American Physical Society}

1999-06-01

Thymol, a constituent of thyme essential oil, is a positive allosteric modulator of human GABA_A receptors and a homo-oligomeric GABA receptor from Drosophila melanogaster

Amidination of aldolase, glyceraldehyde-3-phosphate dehydrogenase, tryptophan synthetase B protein, L-arabinose isomerase, and the catalytic subunit of E. coli aspartate transcarbamylase...Full Text Available

1970-07-01

A Bibliography of the Physical Equilibria and Related ...

The GABA-modulating and GABA-mimetic activities of the monoterpenoid thymol were explored on human GABA_A and Drosophila melanogaster...Full Text Available

2003-12-01

Global mode analysis of ideal MHD modes in a heliotron/torsatron system. 1. Mercier-unstable equilibria

... 3. Critical constants, and triple point 4. Compressibility isothermE S. Density, molar volume (of a condensed phase) 6. Equations of state, general ...

1960-05-01

Preparation and properties of fluoroalkyl end-capped vinyltrimethoxysilane oligomeric nanoparticles?A new approach to facile creation of a completely superhydrophobic coating surface with these nanoparticles

By means of a global mode analysis of ideal MHD modes for Mercier-unstable equilibria in a planar axis L=2/M=10 heliotron/torsatron system with an inherently large Shafranov shift, the conjecture from local mode analysis for Mercier-unstable equilibria given in [N. Nakajima, Phys. Plasmas 3, 4556 (1996)] has been confirmed and the properties of pressure-driven modes, namely, ballooning modes and interchange modes, inherent to such three-dimensional systems have been clarified. The change of the local magnetic shear due to the Shafranov shift, which is related to toroidicity, reduces the field line bending stabilizing effects on ballooning modes. According to the degree of the reduction of the local magnetic shear by the Shafranov shift, the Mercier-unstable equilibria are categorized into toroidicity-dominant (strong reduction) and helicity-dominant (weak reduction) Mercier-unstable equilibria. Since ...

1998-12-01

British Library Electronic Table of Contents (United Kingdom)

Novel fluoroalkyl end-capped vinyltrimethoxysilane oligomeric nanoparticles were prepared by the hydrolysis of the corresponding oligomer under alkaline conditions. The size of fluorinated nanoparticles thus obtained is of submicrometer levels and is not sensitive to the refractive indices of a variety of solvents; however, the turbidity of the dispersed fluorinated nanoparticles is extremely sensitive to the refractive indices of these solvents. In particular, the solvents of which the refractive indices are from 1.378 to 1.408 were found to afford the transparent colorless dispersed particle solutions. More interestingly, the modified glass surface treated with fluorinated nanoparticles exhibited a completely superhydrophobic characteristic (a water contact angle: 180?) with a nonwetting...

2008-01-01

COSY synchrotron and storage ring for medium energy physics

MHD equilibrium and stability in heliotron plasmas

At present the cooler synchrotron COSY a synchrotron and storage ring for medium energy physics is being commissioned at Juelich. The construction of the ring was finished during September 1992. The cooler ring will deliver protons in the momentum range from 270 to 3300 MeV/c. The phase density of the circulating protons will be increased with electron cooling at injection and with stochastic cooling at momenta between 1500 and 3300 MeV/c. High luminosity internal experiments as well as high resolution external experiments will be possible. Details of the lattice, to match the different ion optical requirements for cooling, acceleration, internal experiments and ultra-slow extraction will be discussed. An overview of the performance of the ion sources, the injector cyclotron, the ring, the injection beamline are given. The realization status of the extraction beamlines to the external experimental area is given. The experience on the commissioning of the cooler ...

1993-01-01

Conformational Changes in BAK, a Pore-forming Proapoptotic Bcl-2 Family Member, upon Membrane Insertion and Direct Evidence for the Existence of BH3-BH3 Contact Interface in BAK Homo-oligomers*

Recent topics in the theoretical magnetohydrodynamic (MHD) analysis in the heliotron configuration are overviewed. Particularly, properties of three-dimensional equilibria, stability boundary of the interchange mode, effects of the net toroidal current including the bootstrap current and the ballooning mode stability are focused. (author)

1999-09-01

Modeling of (vapor + liquid) equilibrium and enthalpy of solution of carbon dioxide (CO{sub 2}) in aqueous methyldiethanolamine (MDEA) solutions

During apoptosis, the pro-apoptotic Bcl-2 family proteins BAK and BAX form large oligomeric pores in the mitochondrial outer membrane. Apoptotic factors, including cytochrome c, are...Full Text Available

2010-09-10

Modeling of (vapor + liquid) equilibrium and enthalpy of solution of carbon dioxide (CO_2) in aqueous methyldiethanolamine (MDEA) solutions

A thermodynamic model was used to estimate enthalpy of solution of carbon dioxide (CO{sub 2}) in methyldiethanolamine (MDEA) aqueous solutions. The model was based on a set of equations for chemical equilibria, phase equilibria, charge, and mass balances. Non-ideality in the liquid phase was taken into account by interaction parameters fitted to (vapor + liquid) equilibrium data. The enthalpies of solution of CO{sub 2} were derived from the model using classical thermodynamic relations and were compared to experimental values obtained in previous works.

2009-06-15

Secondary reactions during CO hydrogenation on zeolite-supported metal catalysts: influence of alkali cations

A thermodynamic model was used to estimate enthalpy of solution of carbon dioxide (CO_2) in methyldiethanolamine (MDEA) aqueous solutions. The model was based on a set of equations for chemical equilibria, phase equilibria, charge, and mass balances. Non-ideality in the liquid phase was taken into account by interaction parameters fitted to (vapor + liquid) equilibrium data. The enthalpies of solution of CO_2 were derived from the model using classical thermodynamic relations and were compared to experimental values obtained in previous works.

2009-06-01

Micronutrient nutrition of rice in flooded soils

The effect of neutralizing cations on the secondary reactions of the primary products from CO hydrogenation over ion-exchanged zeolite-supported Ru catalysts was investigated using zeolites with different alkali cations (Li/sup +/, Na/sup +/, K/sup +/, Rb/sup +/, Cs/sup +/). The transformation of olefins (propylene and butene) on the zeolites without the metal, under conditions similar to those used for CO hydrogenation, was also studied in order to understand the effect of the various constituents of the support, i.e., the Broensted acid sites generated during catalyst preparation and the alkali cations, on possible secondary reactions of the primary olefinic products. It was established that secondary acid-catalyzed reactions of these primary products can play a major role in shaping product selectivity during CO hydrogenation over zeolite-supported catalysts. Depending on the concentration and the strength of the acid sites, various competitive reaction paths can be observed for the ...

1987-10-01

Theoretical studies of Cerro Prieto brines chemical equilibria

Micronutrient deficiencies in flooded rice have been recognized with increasing frequency in recent years. Zinc deficiency is the most widespread disorder, followed by Fe, Mn, and Cu deficiencies. Boron and Mo deficiencies have not been reported in field culture. The peculiar characteristics of a flooded soil are: 1) a layer of standing water; 2) absence of oxygen; 3) a soil profile largely in a reduced chemical state; 4) the presence of large biological carbon dioxide excesses; 5) the presence of high concentrations of soluble Fe"+"+ and Mn"+"+; 6) alteration of soil pH; 7) the presence of toxic substances; 8) increased soluble Na"+, K"+, Ca"+"+, Mg"+"+, NH_4"+, HCO_3"-, H_2PO_4"-, and Si(OH)_4 in the soil solution. Micronutrient availability in flooded soils is affected by: 1) increased solubility of relatively insoluble minerals due to dilution effects; 2) pH changes in relation to solubility and plant availability; 3) changes in oxidation-reduction equilibria; ...

1974-09-23

1 2 3 4

Rotational modes of oscillation of rodlike dust grains in a plasma

A chemical equilibrium model is used, implemented in a compact FORTRAN package called HITEQ, to investigate possible mineral deposition related to prereinjection treatment of Cerro Prieto brines for silica removal. Large saturation ratios of the treated brines with respect to several minerals are indicated by these computations. As a remedy, an inexpensive CO/sub 2/ removal scheme aimed at inhibiting carbonate mineral precipitation is proposed. This scheme is quantitatively discussed with the aid of HITEQ. It is concluded that the proposed treatment is both technically and economically feasible.

1980-02-01

Inhibition of heat shock protein 27 (HspB1) tumorigenic functions by peptide aptamers

Three dimensional rotatory modes of oscillations in a one-dimensional chain of rodlike charged particles or dust grains in a plasma are investigated. The dispersion characteristics of the modes are analyzed. The stability of different equilibrium orientations of the rods, phase transitions between the different equilibria, and a critical dependence on the relative strength of the confining potential are analyzed. The relations of these processes with liquid crystals, nanotubing, and plasma coating are discussed.

2003-01-01

British Library Electronic Table of Contents (United Kingdom)

Human heat shock protein 27 (Hsp27, HspB1) is an anti-apoptotic protein characterized for its tumorigenic and metastatic properties, and now referenced as a major therapeutic target in many types of cancer. Hsp27 biochemical properties rely on a structural oligomeric and dynamic organization. Downregulation by small interfering RNA or inhibition with dominant-negative mutant have proven their efficiency to counteract the anti-apoptotic and protective properties of Hsp27. In this study, we report the isolation and characterization of Hsp27-targeted molecules interfering with its structural organization. Using the peptide aptamer (PA) strategy, we isolated PAs that specifically interact with Hsp27 and not with the other members of the small heat shock protein family. In mammalian cell cultur...

2011-01-01

Coalification by clay-catalyzed oligomerization of plant monomers. [Methyleugenol

Assessment of GABARAP self-association by its diffusion properties

During this report period, we have obtained a model of montmorillonite clay, and this model has been of great assistance in visualizing how the chemistry of substrate molecules might be altered as it occurs on the surface of the clay. A stereochemical representation of this montmorillonite model is shown. Of particular significance, this model indicates that hydroxyl groups are located in the center of each siloxane ring on the surface of the montmorillonite clay. These hydroxyl groups might serve to bond substrate molecules to the surface of the clay. The next step in our systematic examination of the radical cation-initiated dimerization of plant monomers from the C{sub 6}-C{sub 3} pool of shikimic acid metabolites was to study the dimerization of cinnamic acid and its derivatives. In the next block of research, we examined the reaction of montmorillonite clay (K-10) with methyleugenol. 2 refs.

1990-01-01

Solid-gas equilibria in CaSO/sub 3/-H/sub 2/O/sub (g)/ system and Lewis-acid-base alloys

Gamma-aminobutyric acid type A receptor-associated protein (GABARAP) belongs to a family of small ubiquitin-like adaptor proteins implicated in intracellular vesicle trafficking and autophagy. We have used diffusion-ordered nuclear magnetic resonance spectroscopy to study the temperature and concentration dependence of the diffusion properties of GABARAP. Our data suggest the presence of distinct conformational states and provide support for self-association of GABARAP molecules. Assuming a monomer-dimer equilibrium, a temperature-dependent dissociation constant could be derived. Based on a temperature series of {sup 1}H{sup 15}N heteronuclear single quantum coherence nuclear magnetic resonance spectra, we propose residues potentially involved in GABARAP self-interaction. The possible biological significance of these observations is discussed with respect to alternative scenarios of oligomerization.

2010-09-15

Extension of the EQ3/6 computer codes to geochemical modeling of brines

The role played by calcium sulfite in the flue gas desulfurization of lime/limestone scrubbers makes it desirable to work out its thermodynamic properties. A thermogravimetric apparatus was used to study the equilibria between calcium sulfite hemihydrate and calcium sulfite anhydrite under different conditions. Efforts were made to analyze the difficulties encountered in the dynamic approach to equilibration after calcium sulfate dihydrate failed in calibration of the apparatus. Finally, the kinetics and thermodynamics for the dissociation of calcium sulfite hemihydrate were examined. The confirmation of Engel-Brewer's correlation between the electronic configuration and crystal structure in metallic systems has long been pursued in this group by studying the Lewis-acid-base interactions. Tantalum-iridium alloys of different compositions were brought into equilibrium with various steam/hydrogen mixtures in the same thermogravimetric setup. Although the ...

1981-10-01

Computing Good Nash Equilibria in Graphical Games

Recent modifications to the EQ3/6 geochemical modeling software package provide for the use of Pitzer's equations to calculate the activity coefficients of aqueous species and the activity of water. These changes extend the range of solute concentrations over which the codes can be used to dependably calculate equilibria in geochemical systems, and permit the inclusion of ion pairs, complexes, and undissociated acids and bases as explicit component species in the Pitzer model. Comparisons of calculations made by the EQ3NR and EQ6 compuer codes with experimental data confirm that the modifications not only allow the codes to accurately evaluate activity coefficients in concentrated solutions, but also permit prediction of solubility limits of evaporite minerals in brines at 25/sup 0/C and elevated temperatures. Calculations for a few salts can be made at temperatures up to approx. 300/sup 0/C, but the temperature range for most electrolytes is constrained ...

1984-10-23

Synthesis, structure, and spectroscopic properties of ortho-metalated platinum(II) complexes

This paper addresses the problem of fair equilibrium selection in graphical games. Our approach is based on the data structure called the {\\em best response policy}, which was proposed by Kearns et al. \\cite{kls} as a way to represent all Nash equilibria of a graphical game. In \\cite{egg}, it was shown that the best response policy has polynomial size as long as the underlying graph is a path. In this paper, we show that if the underlying graph is a bounded-degree tree and the best response policy has polynomial size then there is an efficient algorithm which constructs a Nash equilibrium that guarantees certain payoffs to all participants. Another attractive solution concept is a Nash equilibrium that maximizes the social welfare. We show that, while exactly computing the latter is infeasible (we prove that solving this problem may involve algebraic numbers of an arbitrarily high degree), there exists an FPTAS for finding such an equilibrium as long as the best ...

2007-01-01

Thermodynamic modeling of acidic gas solubility in aqueous solutions of MEA, MDEA and MEA-MDEA blends

The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the solid state at ambient temperature and at 77 K and 77 K glassy toluene solutions. These ...

1995-04-26

DEFF Research Database (Denmark)

The thermodynamic framework that was developed in a previous work [Vrachnos et al. Ind. Eng. Chem. Res. 2004, 43, 2798] for the description of chemical and vapor-liquid equilibria of carbon dioxide, hydrogen sulfide, and their mixtures in aqueous methyldiethanolamine (MDEA) solutions is revised and extended in this study to the absorption of carbon dioxide into aqueous monoethanolamine (MEA) solutions and aqueous MDEA-MEA blends. The results of the model are compared with experimental data taken from the literature. Very satisfactory predictions of acidic gas vapor-liquid equilibrium over MDEA, MEA, and their blends at various concentrations, acidic gas loadings, and temperatures are obtained.

2006-01-01

On the optimal taxation of common-pool resources

British Library Electronic Table of Contents (United Kingdom)

Recent research developments in common-pool resource models emphasize the importance of links with ecological systems and the presence of non-linearities, thresholds and multiple steady states. In a recent paper Kossioris et al. (2008) develop a methodology for deriving feedback Nash equilibria for non-linear differential games and apply this methodology to a common-pool resource model of a lake where pollution corresponds to benefits and at the same time affects the ecosystem services. This paper studies the structure of optimal state-dependent taxes that steer the combined economic-ecological system towards the trajectory of optimal management, and provides an algorithm for calculating such taxes.

2011-01-01

Nonequilibrium detonation of composite explosives

Method of calculation of positions of isotherms of spinodal for solid phase of the type A/sub x/B/sub y/C/sub 1-x-y/D

The effect of nonequilibrium diffusional flow on detonation velocities in composite explosives is examined. Detonation conditions are derived for complete equilibrium, temperature and pressure equilibrium, and two forms of pressure equilibrium. Partial equilibria are associated with systems which have not had sufficient time for transport to smooth out the gradients between spatially separate regions. The nonequilibrium detonation conditions are implemented in the CHEQ equation of state code. We show that the detonation velocity decreases as the non-chemical degrees of freedom of the explosive are allowed to equilibrate. It is only when the chemical degrees of freedom are allowed to equilibrate that the detonation velocity increases. {copyright} {ital 1998 American Institute of Physics.}

1998-07-01

Gas-liquid phase equilibrium in the system carbon dioxide-hexametapol (hexamethylphosphoramide)

The authors suggest a method of calculation of the isotherms of the spinodal and the heterogeneous equilibria in four-component systems in the framework of a unified thermodynamic model of the solution. The results of their calculations predict the existence of extended regions of immiscibility in the solid phase in the interval of temperatures usually used to obtain epitaxial layers of InAs/sub x/P/sub y/Sb/sub 1-x-y/ and AlAs/sub x/P/sub y/Sb/sub 1-x-y/.

1987-01-01

Theory of mirror machines at high beta

The authors investigated phase equilibria in the system carbon dioxide-hexametapol. Vacuum-distilled solvent of ''pure'' grade was used. The solubility of CO/sub 2/ in hexametapol under pressures at various temperatures and the temperature dependence of the Henry's law coefficient is show. It is concluded that the solubility of carbon dioxide in hexametapol in the temperature and pressure ranges corresponding to the operating conditions of industrial equipment for removing CO/sub 2/ from gases conforms to the Krichevskii-II'inskaya equation. The experimental data can be used for equipment design.

1985-09-01

Continuum damping of toroidal Alfven eigenmodes in finite-#beta# tokamak equilibria

The kinetic and guiding center fluid theories of high-..beta.. plasma containment in mirror machines have been developed in a number of self-consistent models. The geometrical effects of magnetic field and ambipolar potential variation have been incorporated in a bounce-averaged Fokker-Planck code which shows that the square-well model somewhat overestimates the n tau and ..beta.. achievable in a mirror field. Simple analytic approximations to the resulting pressure profiles have been incorporated in three-dimensional fluid-equilibrium codes which show the effect of coil geometry on the maximum ..beta... Strongly curved vacuum fields allow higher ..beta.., but short plasmas in weakly curved fields tend to reverse the curvature locally before the mirror-mode limit is reached. Adiabaticity of particle orbits is described in terms of general formulas, applicable in high-..beta.. plasma equilibria, and is shown to break down close to the mirror-mode limit. Two ...

1976-08-06

Heterogeneous radiolysis of HCN adsorbed on a solid surface

A general theoretical approach for the study of the two-dimensional structure of high-n Toroidal Alfven Eigenmodes (TAE) in finite-#beta#, large aspect ratio (R_o/a much-gt 1) tokamak equilibria is presented. Here, n is the toroidal mode number, #beta# = plasma/magnetic pressure, and a(R_o) is the minor (major) radius of the torus. It is shown how the general pseudo-differential boundary value problem for the radial eigenmode structure can be systematically constructed from the local dispersion relation; which is obtained using the ballooning formalism. The TAE modes are characterized by a broad radial envelope, the width of which is independent on the mode number in the general case of monotonic equilibrium profiles. The results on the two-dimensional eigenmode structure are expected to be applicable to drift-type waves. The ballooning transform is generalized here to handle singular eigenfunctions typical of the continuous shear Alfven spectrum, and, thereby, ...

A structural and corrosion study of triethoxysilyl and perfluorooctyl functionalized polyhedral silsesquioxane nanocomposite films on AA 2024 alloy

Hydrogen cyanide is a key molecule for chemical evolution studies because, when it is exposed to different sources of energy, it forms various compounds of biological importance. To understand the role of minerals in chemical evolution, a series of experiments was performed. First, the adsorption capacity of HCN on different surface minerals was studied; the results show that HCN is readily adsorbed onto the solids proposed (zeolite, serpentine, dolomite, and sodium montmorillonite), in particular zeolite and montmorillonite. Second, the radiolysis of HCN adsorbed on olivine (as an example of a mineral surface) was also followed; it was found that the rate of HCN decomposition by gamma irradiation is enhanced in the presence of the solid. The third series of studies show that organic material was produced in high abundance from HCN at high radiation doses. The radiolytic products included gases (CO_2, NH_4, and CO) and oligomeric materials that release carboxylic ...

2010-07-01

A microscale protein NMR sample screening pipeline

A tri-functional polyhedral oligomeric silsesquioxane (POSS) based silane precursor R_xR_yR_z(SiO_3_/_2)_n (x + y + z = n = 6, 8, 10, ...) bearing 3-(N-(3-triethoxysilylpropyl)ureido)propyl, isooctyl and perfluoropropyl groups was synthesized and investigated as corrosion protective coating for AA 2024 alloy. Infrared reflection-absorption (IR RA) combined with X-ray photoelectron spectroscopy and atomic force microscopy provided information about partial self-assembling of coatings having a fluorine enriched upper layer with a low surface energy (#gamma#"t"o"t = 12.37 mN/m). The structural changes that accompanied corrosion produced under chronocoulometrical conditions were assessed from ex-situ IR RA spectra. A new band at 1690-1700 cm"-"1 appeared above the corrosion potential, and was assigned to the formation of amidonium ions and consequent relaxation of urea-urea associations.

2010-03-01

One-electron redox reactions of pyrazolin-5-ones. A pulse radiolysis study of antipyrine and analogues

As part of efforts to develop improved methods for NMR protein sample preparation and structure determination, the Northeast Structural Genomics Consortium (NESG) has implemented an NMR screening pipeline for protein target selection, construct optimization, and buffer optimization, incorporating efficient microscale NMR screening of proteins using a micro-cryoprobe. The process is feasible because the newest generation probe requires only small amounts of protein, typically 30-200 ?g in 8-35 ?l volume. Extensive automation has been made possible by the combination of database tools, mechanization of key process steps, and the use of a micro-cryoprobe that gives excellent data while requiring little optimization and manual setup. In this perspective, we describe the overall process used by the NESG for screening NMR samples as part of a sample optimization process, assessing optimal construct design and solution conditions, as well as for determining protein rotational correlation ...

2010-01-01

Exciplex processes involving trans naphthylethylenes. Implications of ground-state conformeric equilibria

One-electron oxidation of several derivatives of pyrazolin-5-one, including the drug antipyrine, were studied by pulse radiolysis of aqueous solutions. All the compounds were found to be oxidized by Br2 rapidly but considerably more slowly by weaker oxidants, such as peroxyl radicals. From redox equilibria using p-methoxyphenol and N,N,N',N'-tetramethyl-p-phenylenediamine as reference compounds, the one-electron oxidation potentials of the methyl-substituted 2-pyrazolin-5-ones were found to be in the range of 0.32-0.39 V versus normal hydrogen electrode. The relevance of these findings to the properties of the drug nafazatrom is discussed. Antipyrine was found to have a much higher oxidation potential, estimated as 1.2-1.5 V, which is rationalized on the basis of the phenyl substitution and lack of resonance stabilization of the radical cation.

1985-10-01

1 2 3 4

Excess Gibbs free energies and excess volumes of mixtures containing normal alkanes or cyclohexane + thiaalkanes or dithiaalkanes

Five arylethylenes with 1-naphthyl, 2-naphthyl, and phenyl groups in 1,2-positions have been studied for singlet-mediated charge-transfer interactions with several amines and paraquat dication. 1-Phenyl-2-(2-naphthyl)ethylene and 1,2-di(2-naphthyl)ethylene exhibit distinct dependence of exciplex emission maxima and lifetimes, and fluorescence quenching constants, on excitation and/or monitoring wavelengths; this is in conformity with the existence of ground-state rotamers for these systems, wtih distinguishable absorption-emission spectra and fluorescence lifetimes. The fluorescence quenching by aromatic amines and paraquat dication occurs with rate constants in the limit of diffusion control and is accompanied by the formation of radical ions in polar solvents (acetonitrile). The transient spectra and kinetics associated with the radical ions, observed by 337.1- and 355-nm laser flash photolysis, are also reported. 10 figures, 4 tables.

1983-05-12

Constitutional examinations in the system Fe-Al-Zr; Konstitutionsuntersuchungen im System Fe-Al-Zr

Vapor-liquid equilibria, by head-space gas-chromatographic analysis of the equilibrated vapor phase directly withdrawn from the equilibration apparatus, and molar excess volumes, V[sup E], by means of a vibrating-tube densimeter, of binary mixtures containing thiaalkanes or dithiaalkanes with n-alkanes or cyclohexane, were determined at 298.15 K. The excess molar Gibbs free energies, GE, of the examined mixtures were obtained by a least-squares treatment of the equilibrium data. The GE and V[sup E] values indicate that the steric effect exerted by the alkyl groups adjacent to the S group causes a regular decrease of the G[sup E] (or V[sup E]) with increasing the number of alkyl groups in the thiaalkane. A tentative approach, based on an additivity scheme of surface interactions combined with the scaled particle theory, is presented to estimate the energies of solvation in terms of group contributions.

1993-10-01

Market disruption, cascading effects, and economic recovery:a life-cycle hypothesis model.

Two isothermal sections were prepared at 1000 and 1150 C showing the low-Zr phases of the system Fe-Al-Zr. The phase equilibria were determined by means of X-ray powder diffractometry and electron beam microanalysis. For initial characterisation of mechanical properties, hardness values are determined and added to the tabulated data. (orig./MM) [German] Es werden am Fe-Al-Zr-System zwei isotherme Schnitte durch den zirkoniumarmen Teil des Systems bei 1000 und 1150 C erstellt. Die auftretenden Phasengleichgewichte werden mit Hilfe der Roentgenpulverdiffraktometrie und Elektronenstrahlmikroanalyse aufgeklaert. Zusaetzlich werden zur ersten Charakterisierung der mechanischen Eigenschaften Haertewerte bestimmt.

1999-07-01

Adsorption equilibria of krypton, xenon, nitrogen and their mixtures on Molecular Sieve 5A and activated charcoal

This paper builds upon previous work [Sprigg and Ehlen, 2004] by introducing a bond market into a model of production and employment. The previous paper described an economy in which households choose whether to enter the labor and product markets based on wages and prices. Firms experiment with prices and employment levels to maximize their profits. We developed agent-based simulations using Aspen, a powerful economic modeling tool developed at Sandia, to demonstrate that multiple-firm economies converge toward the competitive equilibria typified by lower prices and higher output and employment, but also suffer from market noise stemming from consumer churn. In this paper we introduce a bond market as a mechanism for household savings. We simulate an economy of continuous overlapping generations in which each household grows older in the course of the simulation and continually revises its target level of savings according to a life-cycle hypothesis. Households ...

2004-11-01

The ternary system cerium-palladium-silicon

The adsorption equilibria of Kr, Xe and N{sub 2}, which are constituents of the off-gas from nuclear reprocessing processes, on representative adsorbents (Molecular Sieve 5A (MS5A) and activated charcoal) were studied. Adsorption experiments were conducted in the temperature range of 77 to 323 K using a packed bed column. The adsorption isotherms for the activated charcoal adsorbent were successfully correlated by the vacancy solution model. The adsorption isotherms for the MS5A adsorbent were properly correlated by the Langmuir model and the vacancy solution model. The adsorption experiments for the binary component systems (Kr-Xe, Kr-N{sub 2} systems) were also performed, and the results suggest that the coexistence of Xe greatly inhibits the adsorption of Kr. The coexistence of large amounts of N{sub 2} was also found to inhibit the adsorption of Kr. The experimental results for the adsorption equilibrium of binary component systems on the activated charcoal ...

1999-09-01

Understanding of the volatility of GeO/sub 2/ in the presence of WO/sub 2/

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of #tau#_8-Ce_3Pd_4Si_4 (U_3Ni_4Si_4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), #tau#_1_6-Ce_2Pd_1_4Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for #tau#_1_8-CePd_1_-_xSi_x (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of #tau#_5-Ce_3PdSi_3 (Ba_3Al_2Ge_2-type, Immm; a=0.41207(1), b=0.43026(1), c=1.84069(4) nm) and #tau#_1_3-Ce_3_-_xPd_2_0_+_xSi_6 ...

2009-09-01

Thermodynamics, lattice stability and defect structure of strontium silicides via first-principles calculations

The equilibria composition of the gaseous and the solid phase in the system GeO/sub 2//WO/sub 2/ is calculated with an improved thermodynamical program for temperatures 1100 < T < 1400 K and constant volume. By means of the results the experimental observed migration of GeO/sub 2/ in the presence of WO/sub 2/ in a temperature gradient T/sub 2/ ..-->.. T/sub 1/ (1200 ..-->.. 1100 K) in sealed evacuated silica tubes is due to a chemical transport with H/sub 2/ as the transporting agent. The H/sub 2/ is formed by H/sub 2/O which is desorbed by the quartz glass of the ampoules. The also observed volatility of WO/sub 2/ and its deposition in form of Ge/sub 0.75/W/sub 3/O/sub 9/ at the 'cold' end (T/sub 1/) of the tubes is performed by gaseous GeWO/sub 4/. The calculated and experimental transport rates are compared and discussed.

1983-08-01

The ternary system cerium-palladium-silicon

The thermodynamics of the Sr-Si system is of fundamental importance for the understanding of eutectic modification of Al-Si alloys. At the same time, strontium silicides have recently been found to have potential applications in electronic devices. Renewed research efforts have led to a re-evaluation of the phase equilibria in this system, resulting in the discovery of previously undetected stable intermetallic compounds. In this work, we investigate the finite temperature thermodynamic properties of the stable (and metastable) Sr-Si intermetallics. The vibrational properties of the intermetallic compounds are calculated within harmonic theory, with quasi-harmonic corrections to account for the effects of thermal expansion. The total free energies of the compounds are computed considering vibrational and electronic contributions, as well as weak anharmonic corrections. The ground state of the system is predicted and compared to previous experimental and ...

2009-09-18

British Library Electronic Table of Contents (United Kingdom)

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800degreeC based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800degreeC. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of t8-Ce3Pd4Si4 (U3Ni4Si4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7)nm), t16-Ce2Pd14Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2)nm) and also for t18-CePd1-xSix (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4)nm). Rietveld refinements established the atom arrangement in the structures of...

2009-01-01

Supercritical fluid extraction from dried banana peel (Musa spp., genomic group AAB): Extraction yield, mathematical modeling, economical analysis and phase equilibria

British Library Electronic Table of Contents (United Kingdom)

Supercritical fluid extraction from dried banana peel (Musa spp., subgroup Prata, genomic group AAB, popularly known in Brazil as Enxerto) was studied. The aspects investigated were: overall extraction curve (OEC), mass transfer modeling of the yield curves, economical analysis of the process and phase equilibrium data for the pseudo-ternary system of banana peel extract, carbon dioxide and ethanol. The extraction operating conditions evaluated were: pressure ranging from 100bar to 300bar, temperature from 40 to 50^oC and constant solvent flow rate of 5.0gCO2/min. Experimental extraction data were correlated using three kinetic models based on mass transfer equations (logistic, diffusion and Esquivel models). Phase equilibrium measurements were performed using pressure from 64.9bar to 239....

2010-01-01

Studies on the extraction equilibria of Cu, Ni, Co and Mn with Versatic Acid 911

Impact of kerogen heterogeneity on sorption of organic pollutants. 2. Sorption equilibria

The distribution of Cu, Ni, Co and Mn between an aqueous solution of constant ionic strength and Versatic Acid 911 diluted with benzene was investigated. Only one extracted species of Cu was revealed to have a dimeric structure of the composition (CuR_2.RH)_2, while both monomer and dimer were found in the extraction of Ni, Co and Mn. The curve-fitting method was employed to determine these species, from which the composition of the extracted species was found to be NiR_2.4RH and (NiR_2.2RH)_2, CoR_2.4RH and (CoR_2.2RH)_2, and MnR_2.4RH and (MnR_2.2RH)_2, respectively. The apparent equilibrium constants of the above species and those between monomer and dimer were also determined. The curve-fitting method was proved to be a precise method for determining the equilibrium constants and extracted species. (author).

Geographic analysis of thermal equilibria: A bioenergetic model for predicting thermal response of aquatic insect communities

Phenanthrene and naphthalene sorption isotherms were measured for three different series of kerogen materials using completely mixed batch reactors. Sorption isotherms were nonlinear for each sorbate-sorbent system, and the Freundlich isotherm equation fit the sorption data well. The Freundlich isotherm linearity parameter n ranged from 0.192 to 0.729 for phenanthrene and from 0.389 to 0.731 for naphthalene. The n values correlated linearly with rigidity and aromaticity of the kerogen matrix, but the single-point, organic carbon-normalized distribution coefficients varied dramatically among the tested sorbents. A dual-mode sorption equation consisting of a linear partitioning domain and a Langmuir adsorption domain adequately quantified the overall sorption equilibrium for each sorbent-sorbate system. Both models fit the data well, with r{sup 2} values of 0.965 to 0.996 for the Freundlich model and 0.963 to 0.997 for the dual-mode model for the phenanthrene sorption isotherms. The ...

2009-08-15

Enthalpy changes upon partial evaporation of aqueous solutions containing ammonia and carbon dioxide

The thermal regime immediately downstream from bottom release reservoirs is often characterized by reduced diel and seasonal (winter warm/summer cool) conditions. These unusual thermal patterns have often been implicated as a primary factor underlying observed downstream changes in the species composition of aquatic macroinvertebrate communities. The potential mechanisms for selective elimination of benthic species by unusual thermal regimes has been reviewed. Although the effects of temperature on the rate and magnitude of larval growth and development has been included in the list of potential mechanisms, only recently have field studies below dams focused on this interrelationship. This study investigates the overall community structure as well as the seasonal pattern of larval growth and development for several univoltine species of insects in the Delaware River below or near the hypolimnetic discharge of the Cannonsville and Pepeacton dams. These dams, which are located on the ...

Coal-fired methane reforming for power and chemical plants

The thermodynamic properties of aqueous solutions containing ammonia and sour gases such as carbon dioxide, sulfur dioxide, or hydrogen sulfide must be known in many applications. A typical example is the cleaning of raw gases in power stations. The enthalpy changes upon partial evaporation of aqueous solutions containing ammonia and of aqueous solutions containing ammonia and carbon dioxide were measured at temperatures from 313 to 393 K with a thin film evaporator flow calorimeter. The molalities of ammonia and carbon dioxide entering the calorimeter ranged up to 12 and 6 mol/kg, respectively. The physicochemical model originally developed by Edwards et al. (1978) and further modified and extended by Kurz et al. (1995) to describe phase equilibria in aqueous systems containing ammonia and carbon dioxide is used to derive a predictive enthalpy model for this complex, chemical reactive system. Comparisons between the new experimental results for the enthalpy change ...

1998-08-01

Bar mode instability in relativistic rotating stars a post Newtonian treatment

The increasing price differential between natural gas and coal will create a demand for technology that can allow the displacement of natural gas with coal in power plants. Coal gasification is the standard approach suggested to allow coal to displace natural gas. However, the relatively high capital investment required for coal gasification will require fuel cost differentials higher than those anticipated in the near term before coal gasification replaces natural gas. One way of achieving shorter term displacement of natural gas by coal would be to develop technology that would allow coal to be used as the heat source for the endothermic reforming of natural gas. In a natural gas-fired combined cycle power plant, the endothermic heat of reforming, which would be provided by coal combustion, is recovered in the combined-cycle. Therefore, this portion of the coal`s energy would be converted to electrical power at the high efficiency of the gas-fired combined-cycle. This conceptual ...

1996-12-31

Application of neutron diffraction in chemistry. Pt. 2

We construct analytic models of incompressible, rigidly rotating stars in PN gravity and study their stability against nonaxisymmetric Jacobi-like bar modes. PN configurations are modeled by homogeneous triaxial ellipsoids and the metric is obtained as a solution of Einstein's equations in 3+1 ADM form. We use an approximate subset of the equations well-suited to numerical integration for strong field, 3D configurations in quasi--equilibrium. These equations are exact at PN order, and admit an analytic solution for homogeneous ellipsoids. In this paper we present this solution, as well as analytic functionals for the conserved global quantities, M, M_0 and J. By using a variational principle we construct sequences of axisymmetric equilibria of constant density and rest mass, i.e. the PN generalization of Maclaurin spheroids, which are compared to other PN and full relativistic sequences presented by previous authors. We then consider nonaxisymmetric ellipsoidal ...

1997-01-01

Antibiotic interaction with phospholipid monolayers

This article provides a survey of neutron scattering experiments in condensed matter research, which are of interest to chemistry. The theoretical background has been treated in a previous issue. The present article consists of two parts. The first part exhibits the range of experimental possibilities by means of a few selected examples. The starting point is classical neutron diffraction by which the position of atomic nuclei may be determined. Additional information on the spatial distribution in the outer electron shells may be obtained via combined X-ray/neutron-diffraction experiments or via the diffraction of polarized neutrons. Progress in instrumentation, due to the development of more intense sources, has influenced especially the fields of small angle scattering and spectroscopy. The second part features domains of research of current interest, where a combination of several neutron scattering techniques may prove to be necessary. Thus, the kinetics of structural processes ...

1982-01-01

A proton nuclear magnetic resonance investigation of the anion Bohr effect of human normal adult hemoglobin

We studied the interactions of tetracycline (TC) antibiotic molecules with phospholipid monolayers with the two-fold aim of elucidating the mechanism of action and providing a first step for the realization of bio-mimetic sensors for such drugs by means of the Langmuir-Blodgett technique. We examined spreading monolayers of three phospholipids in the presence of tetracycline in the subphase by means of surface pressure-area and surface potential-area isotherms as a function of bulk pH. We selected phospholipids with hydrophobic chains of the same length but polar head groups differing either in dimensions and protonation equilibria, i.e. dipalmitoylphosphatidylcholine (DPPC), dipalmitoylphosphatidylethanolamine (DPPE) and dipalmitoylphosphatidic acid (DPPA). The interaction of tetracycline with the three phospholipids was found to be highly dependent on the electric charge of the antibiotic and on the ionization state of the lipid. Significant interactions are ...

2002-12-01

Novel injectable and in situ curable glycolide/lactide based biodegradable polymer resins and composites.

High-resolution proton nuclear magnetic resonance spectroscopy has been used to investigate the molecular mechanism of the Bohr effect of human normal adult hemoglobin in the presence of two allosteric effectors, i.e., chloride and inorganic phosphate ions. The individual hydrogen ion equilibria of 22-26 histidyl residues of hemoglobin have been measured in anion-free 0.1 M HEPES buffer and in the presence of 0.18 M chloride or 0.1 M inorganic phosphate ions in both deoxy and carbonmonoxy forms. The results indicate that the #beta#2-histidyl residues are strong binding sites for chloride and inorganic phosphate ions in hemoglobin. The affinity of the #beta#2-histidyl residues for these anions is larger in the deoxy than in the carbonmonoxy form. Nevertheless, the contribution of these histidyl residues to the anion Bohr effect is small due to their low pK value in deoxyhemoglobin in anion-free solvents. The interactions of chloride and inorganic phosphate ions with ...

Mobil/Badger to market zeolite-based cumene technology

Novel in situ polymerizable liquid three-arm biodegradable oligomeric polyesters based upon glycolic acid (GA), L-lactic acid (LLA), and their copolymers are synthesized and characterized. Injectable and in situ curable polymer neat resins and their composites formulated with bioabsorbable beta-tricalcium phosphate are prepared at room temperature using photo- and redox-initiation systems, respectively. The cured neat resins show the initial compressive yield strength (YCS, MPa), modulus (M, MPa), ultimate compressive strength (UCS, MPa), and toughness (T, kN mm), ranging from 4.0 to 20.1, 201.5 to 730.2, 82.7 to 310.5, and 1.02 to 3.93. The cured composites show the initial YCS, M, UCS and T, ranging from 27.7 to 56.4, 1440 to 4870, 81.6 to 158.9, and 0.94 to 1.97. Increasing GA/LLA ratio increases all the initial compressive strengths of both neat resins and composites. Increasing filler content increases YCS and M but decreases UCS and T. A diametral tensile ...

2006-08-18

1 2 3 4

Mapping of the nucleotide-binding sites in the ADP/ATP carrier of beef heart mitochondria by photolabeling with 2-azido[#alpha#-"3"2P]adenosine diphosphate

Badger (Cambridge, MA) and Mobil (Fairfax, VA) are ready to jointly license a new cumene technology that they say achieves higher yields and product purity than existing processes. The zeolite-based technology is scheduled to be introduced at next month's DeWitt Petrochemical Review in Houston. The Mobil/Badger technology aims to challenge the dominant position of UOP's (Des Plaines, IL) solid phosphoric acid (SPA) catalyst process - which accounts for 80%-90% of the world's cumene production. In addition, Monsanto/Kellogg's aluminum chloride-based technology has gained significant momentum since its introduction in the 1980s. And late last year, ABB Lummus Crest (Bloomfield, NJ) also began marketing a zeolite-based cumene technology. While all the technologies make cumene via the alkylation of benzene with propylene, the Mobil/Badger process uses a zeolite-containing catalyst designed by Mobil to selectively catalyze the benzene/propylene reaction, ...

1993-02-24

The ternary system cerium-palladium-silicon

2-Azido[#alpha#-"3"2P]adenosine diphosphate (2-azido[#alpha#-"3"2P]ADP) has been used to photolabel the ADP/ATP carrier in beef heart mitochondria. In reversible binding assays carried out in the dark, this photoprobe was found to inhibit ADP/ATP transport in beef heart mitochondria and to bind to two types of specific sites of the ADP/ATP carrier characterized by high-affinity binding (K/sub d/ = 20 #mu#M) and low-affinity binding (K/sub d/ = 400 #mu#M). In contrast, it was unable to bind to specific carrier sites in inverted submitochondrial particles. Upon photoirradiation of beef heart mitochondria in the presence of 2-azido[#alpha#-"3"2P]ADP, the ADP/ATP carrier was covalently labeled. After purification, the photolabeled carrier protein was cleaved chemically by acidolysis or cyanogen bromide and enzymatically with the Staphylococcus aureus V8 protease. In the ADP/ATP carrier protein, which is 297 amino acid residues in length, two discrete regions extending from Phe-153 to ...

The OECD/NEA TDB review on nickel

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of tau{sub 8}-Ce{sub 3}Pd{sub 4}Si{sub 4} (U{sub 3}Ni{sub 4}Si{sub 4}-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), tau{sub 16}-Ce{sub 2}Pd{sub 14}Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for tau{sub 18}-CePd{sub 1-x}Si{sub x} (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of tau{sub 5}-Ce{sub 3}PdSi{sub 3} (Ba{sub 3}Al{sub 2}Ge{sub 2}-type, Immm; a=0.41207(1), ...

2009-09-15

Simulation of gas absorption with chemical reaction: The selective removal of hydrogen sulfide by aqueous methyldiethanolamine in packed columns

Nickel is present in radioactive waste (as activation products {sup 59}Ni and {sup 63}Ni) besides being an element widely distributed in the geosphere and considered for alloys in the engineered barrier systems for underground repositories. For these reasons, within the scope of the OECD Nuclear Energy Agency (NEA) Thermochemical Data Base (TDB) Project a comprehensive review of thermodynamic data has been carried out by the present authors [1]. Over 700 original bibliography sources have been considered, resulting in recommended data for over 50 inorganic species and compounds. Central to the new database are the selections for {delta}{sub f}G{sub m}{sup 0}(Ni{sup 2+}, 298.15 K), established on the basis of re-evaluations of potentiometric data for Ni{sup 2+} | Ni (cr) and S{sub m}{sup 0}(Ni{sup 2+}, 298.15 K) established on the dissolution equilibria for NiSO{sub 4}.7H{sub 2}O(cr). The resulting value for {delta}{sub f}H{sub m}{sup 0}(Ni{sup 2+}, 298.15 K) is ...

2005-07-01

Relationships among electrochemical, thermodynamic, and oxygen potential quantities in lithium-transition metal-oxygen molten salt cells

The design of separation devices, particularly for solvent-based selective removal of H{sub 2}S from CO{sub 2}, requires an accurate mathematical model. Unfortunately, this requirement for high accuracy is often in conflict with the need for efficient computation. The addition of more and more complicated analyses, such as a move from Henry's law to a method incorporating gas and liquid activities for computing vapor liquid equilibria, may give a more accurate solution, but only at the cost of decreased computational efficiency. The efforts in this work have been directed toward two goals. The first was to develop an accurate mathematical model for the aqueous methyldiethanolamine (MDEA) system. The steady-state packed column model developed in this work has been tested with data from Schubert (1988) to verify its accuracy. The second goal was to modify the model to improve its computational efficiency. Areas such as vapor-liquid equilibrium calculations, ...

1988-01-01

Phase equilibria of the Ba-Sm-Y-Cu-O system for coated conductor applications

The interdependence of thermodynamic parameters, phase equilibria, and electrochemical measurements can be used as a powerful tool in the development of high specific energy cells. These principles were used in the analysis of electrochemical experiments performed on ternary lithium-transition metal-oxide (M = Mn, Fe, and Co) positive electrodes. The free energies of formation of LiMnO/sub 2/, Li/sub 5/FeO/sub 4/, LiFeO/sub 2/, and LiCoO/sub 2/ were found to be -178.21, -399.88, -154.18, and 131.62 kcal/mol at 400/sup 0/C. The electrochemical displacement reactions were found to be reversible in LiCl/KCl molten salt cells over a range of 0.0-3.0 Li equivalents per mol at current densities of 5-15 mA/cm/sup 2/. The equilibrium potential vs. Li was found to be a logarithmic function of the calculated oxygen partial pressure for any tie triangle in which Li/sub 2/O is present, or for any tie triangle containing ternary oxide phases Li /SUB x/ MO /SUB y/ which are only ...

1984-03-01

Intrahepatic peripheral cholangiocarcinoma; dynamic features of CT scans

The complex phase relationships near the BaO-poor region of the quaternary Ba-Sm-Y-Cu-O oxide system prepared in pure air (pO2=22 kPa, 950 oC) and in 0.1% O2 (pO2=100 Pa, 810 oC) have been determined. This investigation also included the subsolidus compatibilities in ten subsystems (Ba-Sm-Y-O, Ba-Sm-Cu-O, Ba-Y-Cu-O, Sm-Y-Cu-O, Ba-Sm-O, Ba-Y-O, Ba-Cu-O, Sm-Y-O, Sm-Cu-O, and Y-Cu-O), and the homogeneity range of five solid solutions (Ba(SmxY2-x)CuO5, (Sm,Y)2O3, (Sm,Y)2CuO4, (Y,Sm)2Cu2O5, and Ba(Sm,Y)2O4). The single phase range of the superconductor solid solution, (Ba2-xSmx)(Sm1-yYy)Cu3O6+z, and the phase compatibilities in its vicinity, which are particularly important for processing, are described in detail. The phase equilibrium data of the Ba-Sm-Y-Cu-O system will enable the improvement of the intrinsic superconducting properties of second-generation wires, and facilitate the flux-pinning process. -- Graphical Abstract: Phase diagram overview of the Ba-Sm-Y-Cu-O system in the ...

2010-12-01

Evaluation of 1-site and 5-site models of methane on its adsorption on graphite and in graphitic slit pores.

To elucidate the dynamic features of CT scans in peripheral cholangiocarcinoma for the differentiation of this tumor from various primary hepatic neoplasms. Materials were 24 cases of pathologically confirmed peripheral cholangiocarcinoma. Contrast enhancement patterns of central and peripheral portion of the masses were analyzed at three phases including arterial dominant(22), tissue equilibria(24), and postequilibria(9). Other associated CT findings and laboratory data were analyzed. Serum total bilirubin was mostly below 2 mg/dl(22/24), hepatitis B surface antigen was positive in only 9%, serum alphafetoprotein was elevated in 18%, carcinoembryonic antigen in 47%, cancer antigen 19-9 in 60%. In the arterial dominant image(22), 50% of the cases showed peripheral hyperdensity and 50% total hypodensity. In the tissue equilibrial images(24), 63% showed total hypodensity, 25% peripheral hyperdensity, and 13% total isodensity. In the postequilibrial images(9), 45% ...

1995-05-01

Durability of cement-based materials: modeling of the influence of physical and chemical equilibria on the microstructure and the residual mechanical properties; Durabilite des materiaux cimentaires: modelisation de l'influence des equilibres physico-chimiques sur la microstructure et les proprietes mecaniques residuelles

In this paper, we evaluate the performance of the 1- and 5-site models of methane on the description of adsorption on graphite surfaces and in graphitic slit pores. These models have been known to perform well in the description of the fluid-phase behavior and vapor-liquid equilibria. Their performance in adsorption is evaluated in this work for nonporous graphitized thermal carbon black, and simulation results are compared with the experimental data of Avgul and Kiselev (Chemistry and Physics of Carbon; Dekker: New York, 1970; Vol. 6, p 1). On this nonporous surface, it is found that these models perform as well on isotherms at various temperatures as they do on the experimental isosteric heat for adsorption on a graphite surface. They are then tested for their performance in predicting the adsorption isotherms in graphitic slit pores, in which we would like to explore the effect of confinement on the molecule packing. Pore widths of 10 and 20 A are chosen in this ...

2005-10-20

Biosorption of lead by e. coli strains expressingvitreoscilla hemoglobin: isotherm modeling with two-and three-parameter models

A large part of mechanical and durability characteristics of cement-based materials comes from the performances of the hydrated cement, cohesive matrix surrounding the granular skeleton. Experimental studies, in situ or in laboratory, associated to models, have notably enhanced knowledge on the cement material and led to adapted formulations to specific applications or particularly aggressive environments. Nevertheless, these models, developed for precise cases, do not permit to specifically conclude for other experimental conclusions. To extend its applicability domain, we propose a new evolutive approach, based on reactive transport expressed at the microstructure scale of the cement. In a general point of view, the evolution of the solid compounds of the cement matrix, by dissolutions or precipitations, during chemical aggressions can be related to the pore solution evolution, and this one relied to the ionic exchanges with the external environment. By the utilization of a ...

2004-09-15

Adsorption of ethylene on graphitized thermal carbon black and in slit pores: a computer simulation study.

Biosorption is presented as an alternative choice to traditional physicochemical means for removing toxic metals from groundwater and wastewaters. Removal of lead (Pb) from solutions was studied using Escherichia coli (parental) and Vitreoscilla hemoglobin (VHb)-expressing E. coli (transformed) cells. Pb biosorption was increased in bacterial hemoglobin-expressing E. coli cells grown in Luria broth B containing different concentrations of Pb{sup 2+}. The maximum Pb{sup 2+} biosorption of transformed and parental cells was determined to be 612 and 370 {mu}g Pb/g biomass, respectively. The inhibitory effect of Pb{sup 2+} on the parental strain was determined at 10 ppm. However, in transformed cells, Pb{sup 2+} was lethal at 100 ppm. The optimum aeration required for the transformed cells was lower than that for the parental strain on a growth yield basis. A linear correlation was established between the biosorption and uptake amounts. The biosorption process was analyzed using ...

2010-06-15