Open Access
Journal of Molecular Liquids, volume 326, pages 115274
Some interaction-related thermodynamic properties of aqueous tetramethylenediethylenetetramine (drug teotropine) solutions: Effect of the solvent H/D isotope substitution and temperature
Publication type: Journal Article
Publication date: 2021-03-01
Journal:
Journal of Molecular Liquids
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 6
ISSN: 01677322, 18733166
Materials Chemistry
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Abstract
Abstract The molar enthalpies of dissolution of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane or TMDETA (tetramethylenediethylenetetramine: the teotropine pharmaceutical) in ordinary (H2O) and heavy (D2O) water were measured calorimetrically at T = (278.15, 288.15, 298.15, 308.15, and 318.15) K and p = 0.1 MPa. The standard molar enthalpies and heat capacities of TMDETA dissolution/hydration, along with D2O–H2O solvent isotope effects (IEs) in these quantities, were computed. Solution enthalpies and corresponding IEs were found to be negative, decreasing in magnitude as the temperature is rising. It was concluded that hydrophobic effects are the predominant part in the TMDETA hydration and they are enhanced in D2O and weakened going from TMDETA to its lower-molecular aminal derivative, hexamethylenetetramine (HMTA) being the known drug urotropine. Unlike the aqueous HMTA, the “dualistic” character of TMDETA hydration is less dependent on the initial structure state of a solvent isotopologue. The results of analyzing the contributions to the solvation enthalpy within the scope of Scaled Particle Theory showed that IEs in the enthalpy of TMDETA – water interaction and the solvent cavity formation is almost cancelling each other at T > 288.15 K.
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Journal of Chemical Thermodynamics
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Journal of Chemical Thermodynamics
1 publication, 100%
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Citations by publishers
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Elsevier
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Elsevier
1 publication, 100%
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Ivanov E. et al. Some interaction-related thermodynamic properties of aqueous tetramethylenediethylenetetramine (drug teotropine) solutions: Effect of the solvent H/D isotope substitution and temperature // Journal of Molecular Liquids. 2021. Vol. 326. p. 115274.
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Ivanov E., Batov D. V., Lebedeva E. Yu., Baranov V. V., Lebedeva E. Some interaction-related thermodynamic properties of aqueous tetramethylenediethylenetetramine (drug teotropine) solutions: Effect of the solvent H/D isotope substitution and temperature // Journal of Molecular Liquids. 2021. Vol. 326. p. 115274.
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TY - JOUR
DO - 10.1016/j.molliq.2020.115274
UR - https://doi.org/10.1016%2Fj.molliq.2020.115274
TI - Some interaction-related thermodynamic properties of aqueous tetramethylenediethylenetetramine (drug teotropine) solutions: Effect of the solvent H/D isotope substitution and temperature
T2 - Journal of Molecular Liquids
AU - Ivanov, Evgeniy
AU - Batov, Dmitriy V
AU - Lebedeva, Elena Yu
AU - Baranov, Vladimir V.
AU - Lebedeva, Elena
PY - 2021
DA - 2021/03/01 00:00:00
PB - Elsevier
SP - 115274
VL - 326
SN - 0167-7322
SN - 1873-3166
ER -
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@article{2021_Ivanov,
author = {Evgeniy Ivanov and Dmitriy V Batov and Elena Yu Lebedeva and Vladimir V. Baranov and Elena Lebedeva},
title = {Some interaction-related thermodynamic properties of aqueous tetramethylenediethylenetetramine (drug teotropine) solutions: Effect of the solvent H/D isotope substitution and temperature},
journal = {Journal of Molecular Liquids},
year = {2021},
volume = {326},
publisher = {Elsevier},
month = {mar},
url = {https://doi.org/10.1016%2Fj.molliq.2020.115274},
pages = {115274},
doi = {10.1016/j.molliq.2020.115274}
}
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