Some thermodynamic properties of aqueous amino acid systems at 288.15, 298.15, 313.15 and 328.15 K: group additivity analyses of standard-state volumes and heat capacities

Hakin, Andrew W.; Duke, Michelle M.; Marty, Jocelyn L.; Preuss, Kathryn E.

doi:10.1039/ft9949002027

Cited by 137 publications

(68 citation statements)

References 30 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Standard state volumes and heat capacities for the six systems investigated were calculated at each temperature by fitting equations of the general form described by eq. [3] to our calculated apparent molar volume and apparent molar heat capacity data. Weighted linear regression analyses were utilized.…”

Section: Resultsmentioning

confidence: 99%

“…[3] Y represents the extensive thermodynamic property of interest, Y : , is the value of Y,,, at infinite dilution (i.e., the standard state property 73, and Sy is the experimental slope.…”

Section: Resultsmentioning

confidence: 99%

“…chemical properties of aqueous amino acid systems that we are constructing (1)(2)(3). This data base provides the framework on which we have constructed group additivity analyses that allow for the estimation of standard state volume and heat capacity data for aqueous amino acid and peptide systems in the temperature range 288.15-328.15 K. More specifically, the data reported in this paper allow for the calculation of the temperature dependences of peptide group contributions to structural components of standard state volumes and heat capacities.…”

Section: Group Additivity Analysesmentioning

confidence: 99%

“…dependences of the dielectric constant of the solvent (3,29). Effective Born coefficients, for the dipeptide systems used in our analyses, were calculated from estimated standard state entropies using the relationship described in ref.…”

Section: Group Additivity Analysesmentioning

confidence: 99%

See 3 more Smart Citations

Calorimetric investigations of aqueous amino acid and dipeptide systems from 288. 15 to 328. 15 K

Hakin¹,

Duke²,

Groft³

et al. 1995

Can. J. Chem.

Self Cite

100

View full text Add to dashboard Cite

Densities and heat capacities have been measured for aqueous solutions of L-asparagine, L-glutamine, glycylglycine, glycyl-L-valine, glycyl-L-asparagine, and glycyl-DL-leucine at 288. 15,298.15, 313.15, and 328.15 K. These data have been used to calculate apparent molar volumes, V2,0, and apparent molar heat capacities, Cp,2,0, which in turn have been used to obtain standard state volumes, v;, and heat capacities, c;,,.The semi-empirical modelling procedures of Helgeson, Kirkham, and Flowers have been used to subdivide the calculated standard state volume and heat capacity data into solvation and nonsolvation contributions. The nonsolvation components of the standard state properties are used in group additivity analyses. These analyses yield structural contributions to standard state volumes and heat capacities for the CH(NH,)CO,H, CH,, OH, COOH, CH, CONH,, and CONH groups. The temperature dependences of these contributions are discussed. Some comments are reported concerning the practicality of using the thermodynamic properties of aqueous amino acid and peptide systems as the basis for modelling standard state thermodynamic properties of aqueous protein systems.Key words: heat capacities, densities, volumes, amino acids, peptides, group additivity. On rapporte quelques commentaires relatifs au caractere pratique de l'utilisation des propriCtCs thermodynamiques des systemes aqueux d'acides aminCs et de peptides pour la modClisation des propriCtCs thermodynamiques standard des systkmes aqueux de protkines.

show abstract

Section: Resultsmentioning

confidence: 99%

“…[3] Y represents the extensive thermodynamic property of interest, Y : , is the value of Y,,, at infinite dilution (i.e., the standard state property 73, and Sy is the experimental slope.…”

Section: Resultsmentioning

confidence: 99%

Section: Group Additivity Analysesmentioning

confidence: 99%

Section: Group Additivity Analysesmentioning

confidence: 99%

See 2 more Smart Citations

Calorimetric investigations of aqueous amino acid and dipeptide systems from 288. 15 to 328. 15 K

Hakin¹,

Duke²,

Groft³

et al. 1995

Can. J. Chem.

Self Cite

100

View full text Add to dashboard Cite

show abstract

“…Therefore, to further probe the disparities between the models and our VЊ Ž . data, we have refitted the HKF equation, equation 13 , to a data set that combines standard state volumes reported in this paper with those we have published previously.…”

mentioning

confidence: 98%

Volumetric properties of glycine in water at elevated temperatures and pressures measured with a new optically driven vibrating-tube densimeter

Hakin

Daisley

Delgado

et al. 1998

The Journal of Chemical Thermodynamics

Self Cite

View full text Add to dashboard Cite

Development of Thermophysical Property Models for Aqueous Amino Acid Solutions

et al. 2023

View full text Add to dashboard Cite

Models for the calculation of density, heat capacity, viscosity, and thermal conductivity of amino acid aqueous solutions were proposed. Density, heat capacity, viscosity, and thermal conductivity of pure amino acid liquids were predicted by the Rackett model, Watson model, Heu‐Sheu‐Tu group contribution method, and Sato‐Riedel model, respectively. Mixing rule equations required for the prediction of density, heat capacity, viscosity, and thermal conductivity of amino acid aqueous solutions were suggested. Density, heat capacity, viscosity, and thermal conductivity data of 930, 975, 450, and 167 data points, respectively, for 20 amino acid aqueous solution systems were regressed to determine the most appropriate mixing rule parameters.

show abstract

Some thermodynamic properties of aqueous amino acid systems at 288.15, 298.15, 313.15 and 328.15 K: group additivity analyses of standard-state volumes and heat capacities

Cited by 137 publications

References 30 publications

Calorimetric investigations of aqueous amino acid and dipeptide systems from 288. 15 to 328. 15 K

Calorimetric investigations of aqueous amino acid and dipeptide systems from 288. 15 to 328. 15 K

Volumetric properties of glycine in water at elevated temperatures and pressures measured with a new optically driven vibrating-tube densimeter

Development of Thermophysical Property Models for Aqueous Amino Acid Solutions

Contact Info

Product

Resources

About