The energetics of metabolism in hydrothermal systems: Calculation of the standard molal thermodynamic properties of magnesium-complexed adenosine nucleotides and NAD and NADP at elevated temperatures and pressures

Calculation of the thermodynamic properties of biomolecules at high temperatures and pressures is fundamental to understanding the energetics of metabolism in hydrothermal systems. Perhaps the most direct interaction between hyperthermophilic microbes and their aquatic and mineralogic habitat involves conversion of environmentally available redox potential into biochemically useful energy. Although chemical thermodynamics can be used to quantify this process, little is known about the thermodynamic properties of the biomolecules involved, especially at high temperatures. However, recent advances in theoretical biogeochemistry make it possible to calculate these properties using the limited experimental data available in the literature, together with group additivity and correlation algorithms, reference model compounds and reactions, and the revised-HKF equations of state. This approach permits calculation of the standard molal thermodynamic properties and equations of state parameters for magnesium-complexed adenosine nucleotides, nicotinamide adenine dinucleotides (NADs), and nicotinamide adenine dinucleotide phosphates (NADPs) as a function of pressure and temperature. The thermodynamic properties and revised-HKF equations of state parameters generated in the present study can be used to carry out comprehensive mass transfer and Gibbs energy calculations to quantify the energetics of microbial energy production in hydrothermal systems.     

Theoretical study of possible products of the combination of H2O and HCN

Twenty-two structures with the empirical formula H₃CNO are presented. These structures are examined since they have the same formula as the H₂O…HCN complex. The H₂O…HCN potential energy surface is of interest to chemists studying the water catalyzed polymerization of HCN. Structures, thermodynamics, and vibrational spectra are examined.     

THE ADSORPTION BEHAVIORS OF 2,6-DICHLOROPHENOL ONTO HYPERCROSSLINKED RESINS

1. INTRODUCTION Chlorophenolic compounds are very toxic, and many are known or suspected human carcinogens. They have been widely used for many industrial purposes. The removals of chlorophenols are of high industrial and environmental interest [1~2]. The adsorption resin is another adsorbent widely employed for isolation and purification of organic substances, treatment of wastewaters, solid phase extraction, and so on. A variety of materials has been developed and tested, such as Amber…     

Liquid surface and liquid/liquid interface energies of binary subregular alloys and wetting transitions

Energetics and chemistry of liquid surfaces and liquid/liquid interfaces of binary A-B alloys are calculated using a subregular solution model. In this model, two macroscopic energetic parameters are used to produce an asymmetric miscibility gap. They are related to two microscopic parameters which describe the interaction energy between two atoms as a function of the composition of the first coordination shell of each atom. The impact of the asymmetry of the A-B interactions on the surface and interfacial energies and adsorption are analyzed by comparing the results obtained with this subregular model to those calculated for a regular solution. The role of the asymmetry on the prewetting and wetting transitions are also discussed. Calculations performed in the Co-Cu system are in good agreement with experimental data of surface energy.     

Effect of Temperature on Thermophysical Properties of Ethanol + Aliphatic Alcohols (C<Subscript>4</Subscript>–C<Subscript>5</Subscript>) Mixtures

Summary. Speeds of sound, densities, and refractive indices of the binary mixtures containing ethanol+(2-methyl-1-propanol, 2-methyl-1-butanol, 1-pentanol, or 3-methyl-1-butanol) were measured at 288.15 ≤ T/K ≤ 323.15 and atmospheric condition in the whole compositional range. The effect of temperature was analyzed by several chemical terms.     

Influence of tetraalkylammonium ions on structure of nonaqueous solvents

Summary The half-wave potentials of the redox system [Co(en)₃]³⁺/[Co(en)₃]²⁺ have been influenced by the tetraalkylamonium cation of the supporting electrolyte used. This was explained with the specific interactions (solvation) of the tetraalkylamonium ion with the nonaqueous solvent.

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Einfluß von Tetraalkylammoniumionen auf die Struktur nichtwäßriger Lösungsmittel (Kurze Mitt.)

Zusammenfassung Das Halbwellenpotential des Redoxsystems [Co(en)₃]³⁺/[Co(en)₃]²⁺ wird von Tetraalkylammonium-Ionen des Stützelektrolyten beeinflußt. Dies wird durch die spezifischen Wechselwirkungen (Solvatation) der Ionen mit dem nichtwäßrigen Lösungsmittel erklärt.

     

Effects of polymer–fiber interactions on rheology and flow behavior of suspensions of semi-flexible fibers in polymeric liquids

Rheological properties of suspensions of fibers in polymeric fluids are influenced by fiber–polymer interactions. In this paper, we investigate this influence from both experimental and modeling standpoints. In the experimental part of this investigation, we have changed the fiber–polymer interactions by treating the surface of the fibers. The resulting effects are observed using scanning electron microscopy and dynamic mechanical analysis techniques and quantified from the measurements of the viscosity in the start-up of shear flows and dynamic tests in the linear viscoelastic range region. The results are interpreted with the help of a mesoscopic rheological model developed for suspensions of fibers in viscoelastic fluids.     

Fluctuation-magnification of non-equilibrium membranes near a wall

Membranes in thermal equilibrium are well known to exhibit Brownian motion type shape fluctuations. Membranes containing active force centers -- such as chemically active membrane proteins -- suffer additional non-equilibrium shape fluctuations due to the activity of these force centers. We demonstrate, using scaling arguments, that non-equilibrium shape fluctuations are in general greatly amplified by the presence of a nearby wall or membrane due to the absence of a fluctuation-dissipation theorem. For adhesive membranes, this fluctuation magnification effect may facilitate the establishment of bonding. For non-adhesive membranes, fluctuation magnification produces a long-range repulsive pressure which can exceed the well known Helfrich repulsion due to purely thermal fluctuations. Received: 1 September 1997 / Accepted: 3 December 1997     

Problems related to the optimum separation conditions in liquid adsorption chromatography

Summary Relationships derived from the thermodynamic formulation of TLC with a binary mobile phase are discussed. The adsorption equilibrium constant is determined from the linear form of a basic equation considering the adsorption process. This linear relationship is examined with help of TLC data obtained by using six different chromatographic systems. The adsorption equilibrium constant obtained from the TLC data is compared to the equilibrium constant determined from adsorption measurements. Presented at the 15th International Symposium on Chromatography, Nürnberg, October 1984     

Thermodynamic behaviour of some glycol—water mixtures. Excess and partial volumes

Densities of water—glycol (mono- di-, tri- and tetraethyleneglycol) mixtures have been measured over the entire composition range at 298. 15 K. Mixtures involving monoethyleneglycol (MEG) have also been studied at different temperatures from 308.15 to 288.15 K. Deviations, V^E, from ideal volumes of mixing have been calculated: negative values are observed for all systems. They increase with the number of ether functions present in the organic molecule; a slight dependence of V^E towards temperature has been shown in the water—MEG mixtures. Partial molal volumes have also been calculated for both components of each system; they exhibit an extremum in the water-rich region.