Understanding Carbamate Formation Reaction Thermochemistry of Amino Acids as Solvent for Post Combustion CO Capture.

08:00 EDT 12th September 2019 | BioPortfolio

Summary of "Understanding Carbamate Formation Reaction Thermochemistry of Amino Acids as Solvent for Post Combustion CO Capture."

Carbamate stability constant for a dataset of 10 amino acids, having potential for being post combustion CO2 capture (PCC) solvents, has been calculated using various implicit and explicit solvation shell models (ESS). The current work also includes an extensive study of gas phase free energy and enthalpy for the amino acid carbamate formation reaction with Hartree Fock (HF), density functional methods (B3LYP/6-311++G(d,p)) and composite methods (G3MP2B3, G3MP2, CBS-QB3, G4MP2). Ideal PCC solvent properties require finding a profitable tradeoff between various thermodynamic and system optimization parameters. Benchmark gaseous phase and solution phase thermodynamic properties given in the present work can help in making informed decisions when choosing promising PCC solvents. The temperature dependency of the carbamate stability constant of amino acids is predicted using PCM and SM8T implicit solvation models. PCC is a temperature swing absorption-desorption process and high temperature sensitivity of the ln K_c[AmCOO-] value is of vital importance in attaining cost efficient processes.


Journal Details

This article was published in the following journal.

Name: The journal of physical chemistry. B
ISSN: 1520-5207


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Medical and Biotech [MESH] Definitions

A MOLYBDENUM requiring enzyme that catalyzes the terminal reaction in the oxidative degradation of SULFUR AMINO ACIDS with the formation of a sulfate. A deficiency of sulfite oxidase results in sulfocysteinuria.

Amino acids and chains of amino acids connected by peptide linkages.

A reaction characterized by a violet color upon the addition of copper sulfate to all compounds with two amide or peptide bonds linked directly or through an intermediate carbon atom. Used in the detection and estimation of proteins and peptides having more than two amino acids.

Members of the class of compounds composed of AMINO ACIDS joined together by peptide bonds between adjacent amino acids into linear, branched or cyclical structures. OLIGOPEPTIDES are composed of approximately 2-12 amino acids. Polypeptides are composed of approximately 13 or more amino acids. PROTEINS are linear polypeptides that are normally synthesized on RIBOSOMES.

One of a group of nonenzymatic reactions in which aldehydes, ketones, or reducing sugars react with amino acids, peptides, or proteins. Food browning reactions, such as those that occur with cooking of meats, and also food deterioration reactions, resulting in decreased nutritional value and color changes, are attributed to this reaction type. The Maillard reaction is studied by scientists in the agriculture, food, nutrition, and carbohydrate chemistry fields.

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