Gas-Liquid and Solid-Liquid Phase Equilibria in Binary Aqueous Systems of Nonelectrolytes

Cabani, Sergio; Gianni, Paolo

doi:10.1007/978-3-642-71114-5_10

Cited by 3 publications

(8 citation statements)

References 93 publications

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“…In principle, it should be possible to evaluate the results of these experiments in a thermodynamic framework. The main barrier to such an analysis is the lack of thermodynamic data for aqueous amino acids at the experimental conditions (Cabani and Gianni, 1986). Predictions for a subset of the amino acids are possible with the equations, data, and parameters presented by Shock and Helgeson (1990).…”

Section: Evidence From Hydrous Pyrolysis Experimentsmentioning

confidence: 99%

Geochemical constraints on the origin of organic compounds in hydrothermal systems

Shock

1990

Origins Life Evol Biosphere

275

182

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Abstract. It is proposed that abiotic synthesis of organic compounds occurs in metastable states. These states are permitted by kinetic barriers which inhibit the approach to stable equilibrium in the C-H-O-N system. Evidence for metastable equilibrium among organic compounds in sedimentary basins is reviewed, and further evidence is elucidated from hydrous pyrolysis experiments reported in the literature. This analysis shows that at hydrothermal conditions, organic compounds are formed or destroyed primarily through oxidation/reduction reactions, and that the role of temperature is to lower the kinetic barriers to these reactions. These lines of evidence allow the development of a scenario in which abiotic synthesis can occur at hydrothermal conditions through the reduction of CO2 and N2. This scenario can be tested quantitatively with distribution of species calculations as functions of temperature, pressure, hydrogen fugacity (JH~) and initial composition. One example of such a test is given for an early, sudden outgassing of the Earth, in which CO2, H20, and N2 are transported from the mantle to the atmosphere by hydrothermal solutions. Activities of metastabte aqueous organic species which form as a consequence of this process are evaluated at conditions appropriate for seafloor hydrothermat systems, and are found to maximize at about 200 °C and between the oxidation states set by two mineral assemblages common in the oceanic crust.

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Section: Evidence From Hydrous Pyrolysis Experimentsmentioning

confidence: 99%

Geochemical constraints on the origin of organic compounds in hydrothermal systems

Shock

1990

Origins Life Evol Biosphere

275

182

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“…For each amino acid, four different compositions were simulated. Mole fraction, x i , values varied from 2.0 × 10 –5 to 0.1, taking into consideration the amino acid experimental solubility. ,, All the simulations for a given amino acid were run using systems of the same size. The system size for each amino acid was selected depending on the mole fraction range.…”

Section: Methodsmentioning

confidence: 99%

“…When necessary, sodium or chloride ions were inserted to balance the amino acid charges in the simulation box. Because the salt form used in the simulation can present a solubility that is different from the cited literature, in those cases, the simulation compositions were selected within a range similar to the available experimental data . For the remaining amino acids, the solubility values used as reference were presented in Table .…”

Section: Methodsmentioning

confidence: 99%

“…Additionally, the amino acids have a variable group, also linked to the α-carbon. This variable group can be different chemical groups, and such a feature gives the amino acids different physical-chemical properties. , The so-called standard amino acids are a group of 20 biologically occurring amino acids, which entail the bases for protein structure.…”

Section: Introductionmentioning

confidence: 99%

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Densities of the Standard Amino Acids in Aqueous Solutions via Molecular Dynamics Simulations

2022

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The properties of amino acid aqueous solutions are crucial to the description of biological systems. Nevertheless, data on amino acid properties in the open literature are scattered and incomplete. Here, Molecular Dynamics simulations were applied to calculate the solution density of the standard amino acids over a range of compositions. Simulations were performed at constant room conditions (25 °C and 1 bar) using OPLS-AA/L, GROMOS 54A7, and CHARMM27 force fields to describe the amino acids. All force fields provided good agreement with the experimental data that were available in the literature. In addition, correlations between solution density and amino acid molality and concentration were presented. Further comparison between the force fields in terms of density increments has shown that GROMOS 54A7 provided a better representation of amino acids interactions and more accurate results.

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“…x Calculated from DG f o (cr) and a solubility measurement given in Cabani and Gianni (1986 Rodante (1989). cc Calculated using [met] (aq) = methionine (aq) À [AABB] (aq) and the corresponding properties for methionine (aq) , given above, and [AABB] (aq) from Dick et al (2006).…”

Section: Compound or [Group]mentioning

confidence: 99%

Calculation of the standard molal thermodynamic properties of crystalline peptides

LaRowe

Dick

2012

Geochimica et Cosmochimica Acta

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Gas-Liquid and Solid-Liquid Phase Equilibria in Binary Aqueous Systems of Nonelectrolytes

Cited by 3 publications

References 93 publications

Geochemical constraints on the origin of organic compounds in hydrothermal systems

Geochemical constraints on the origin of organic compounds in hydrothermal systems

Densities of the Standard Amino Acids in Aqueous Solutions via Molecular Dynamics Simulations

Calculation of the standard molal thermodynamic properties of crystalline peptides

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