Heat Capacities of <scp>l</scp>-Alanine, <scp>l</scp>-Valine, <scp>l</scp>-Isoleucine, and <scp>l</scp>-Leucine: Experimental and Computational Study

Pokorný, Václav; Červinka, Ctirad; Štejfa, Vojtěch; Havlín, Jakub; Růžička, Květoslav

doi:10.1021/acs.jced.9b01086

Cited by 30 publications

(23 citation statements)

References 69 publications

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“…Their determination is under development, but the time demands and complexity of the running studies require separate publication. For some of the compounds studied, the heat capacity studies were already published, but not for all. To keep the same treatment for all the compounds studied, we decided to correlate only the vapor pressures in this work.…”

Section: Resultsmentioning

confidence: 99%

Volatility Study of Amino Acids by Knudsen Effusion with QCM Mass Loss Detection

et al. 2020

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This work presents a new Knudsen effusion apparatus employing continuous monitoring of sample deposition using a quartzcrystal microbalance sensor with internal calibration by gravimetric determination of the sample mass loss. The apparatus was tested with anthracene and 1,3,5-triphenylbenzene and subsequently used for the study of sublimation behavior of several proteinogenic amino acids. Their low volatility and thermal instability strongly limit possibilities of studying their sublimation behavior and available literature data. The results presented in this work are unique in their temperature range and low uncertainty required for benchmarking theoretical studies of sublimation behavior of molecular crystals. The possibility of dimerization in the gas phase that would invalidate the effusion experiments is addressed and disproved by theoretical calculations. The enthalpy of sublimation of each amino acid is analyzed based on the contributions in two hypothetical sublimation paths involving the proton transfer in the solid and in the gas phase.[a] Dr.

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Section: Resultsmentioning

confidence: 99%

Volatility Study of Amino Acids by Knudsen Effusion with QCM Mass Loss Detection

et al. 2020

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“…A Tian-Calvet type calorimeter (SETARAM μDSC IIIa) was used for the measurement of heat capacities in the temperature range from 266 K to 353 K. As the detailed description of the calorimeter and its calibration and operation was reported previously [1], only most salient information is provided here. The heat capacity measurements were carried out by the continuous heating method [12], using the three-step methodology, i.e., the measurement of sample is followed by the measurement of reference material (synthetic sapphire, NIST Standard reference material No.…”

Section: Heat Capacity Measurementsmentioning

confidence: 99%

“…This work is a continuation of our project, whose goal is to establish reliable thermodynamic data along the saturation curve for a group of proteinogenic amino acids [1][2][3][4]. Five amino acids studied in this work (l-arginine, l-aspartic acid, l-glutamic acid, l-glutamine, l-asparagine) are white crystalline compounds reported to decompose at/ prior to melting in the temperature range 523 K to 573 K [5].…”

Section: Introductionmentioning

confidence: 99%

Heat Capacities of l-Arginine, l-Aspartic Acid, l-Glutamic Acid, l-Glutamine, and l-Asparagine

et al. 2021

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In an effort to establish reliable thermodynamic data for amino acids, heat capacity and phase behavior is reported for l-arginine (CAS RN: 74-79-3), l-aspartic acid (CAS RN: 56-84-8), l-glutamic acid (CAS RN: 56-86-0), l-glutamine (CAS RN: 56-85-9), and l-asparagine (CAS RN: 70-47-3). Prior to heat capacities measurement, thermogravimetric analysis was performed to determine decomposition temperatures. Crystal heat capacities of all five amino acids were measured by Tian-Calvet calorimetry in the temperature interval (262-358) K and by power compensation DSC in the temperature interval (215-451) K. Experimental values of this work were combined with the literature data obtained with adiabatic calorimetry. Low temperature heat capacities of l-arginine and l-asparagine, for which no or limited literature data were available, were measured using the relaxation (heat pulse) calorimetry. As a result, reference heat capacities and thermodynamic functions for crystalline phase from near 0 K to 450 K were developed. Keywords Crystalline phase • Heat capacity •This article is part of the Special Issue in Memory of Professor Talgat Khasanshin.

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“…A Tian–Calvet type calorimeter (SETARAM μDSC IIIa) with operating temperature range 262 K to 358 K was used for the measurement of heat capacities. As the detailed description of the calorimeter and its calibration and operation was reported previously [ 4 ], only the most salient information is provided here. The heat capacity measurements were carried out by the continuous heating method [ 33 ] using the three-step methodology, i.e., the measurement of the sample is followed by the measurement of the reference material (synthetic sapphire, NIST Standard reference material No.…”

Section: Methodsmentioning

confidence: 99%

“…This work represents a continuation of our previous project [ 1 , 2 , 3 , 4 ], which aimed to establish reliable thermodynamic data along the saturation curve for proteinogenic amino acids. Despite their significance [ 5 , 6 ] and wide use, for example, in pharmaceutical formulations as coformers used to increase the bioavailability of poorly water soluble drugs [ 7 , 8 ], there are still considerable gaps in the availability of fundamental thermodynamic data for basic amino acids [ 2 , 9 , 10 ].…”

Section: Introductionmentioning

confidence: 99%

Heat Capacities of l-Histidine, l-Phenylalanine, l-Proline, l-Tryptophan and l-Tyrosine

et al. 2021

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In an effort to establish reliable thermodynamic data for proteinogenic amino acids, heat capacities for l-histidine (CAS RN: 71-00-1), l‑phenylalanine (CAS RN: 63-91-2), l‑proline (CAS RN: 147-85-3), l‑tryptophan (CAS RN: 73-22-3), and l-tyrosine (CAS RN: 60-18-4) were measured over a wide temperature range. Prior to heat capacity measurements, thermogravimetric analysis was performed to determine the decomposition temperatures while X-ray powder diffraction (XRPD) and heat-flux differential scanning calorimetry (DSC) were used to identify the initial crystal structures and their possible transformations. Crystal heat capacities of all five amino acids were measured by Tian–Calvet calorimetry in the temperature interval from 262 to 358 K and by power compensation DSC in the temperature interval from 307 to 437 K. Experimental values determined in this work were then combined with the literature data obtained by adiabatic calorimetry. Low temperature heat capacities of l‑histidine, for which no literature data were available, were determined in this work using the relaxation (heat pulse) calorimetry from 2 K. As a result, isobaric crystal heat capacities and standard thermodynamic functions up to 430 K for all five crystalline amino acids were developed.

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Heat Capacities of l-Alanine, l-Valine, l-Isoleucine, and l-Leucine: Experimental and Computational Study

Cited by 30 publications

References 69 publications

Volatility Study of Amino Acids by Knudsen Effusion with QCM Mass Loss Detection

Volatility Study of Amino Acids by Knudsen Effusion with QCM Mass Loss Detection

Heat Capacities of l-Arginine, l-Aspartic Acid, l-Glutamic Acid, l-Glutamine, and l-Asparagine

Heat Capacities of l-Histidine, l-Phenylalanine, l-Proline, l-Tryptophan and l-Tyrosine

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