Insights into molecular interactions of L-histidine and L-threonine in aqueous procaine hydrochloride solutions at different temperatures: Physicochemical and spectroscopic approach

Bandral, Akshita; Richu,; Singh, Himani; Majid, Qammer; Kumar, Ashwani

doi:10.1016/j.molliq.2022.119350

Cited by 5 publications

(4 citation statements)

References 55 publications

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“…The current transfer values (Table S4) are positive, and they agree with the volumetric study findings in that they get higher with higher [Emim][EtSO 4 ] concentrations. The hydrophilic–hydrophilic and ionic–hydrophilic interactions between the solute and solvent molecules are justified by the positive values . Additionally, sodium benzoate has lower transfer values than those of tripotassium citrate, an observation that is also noticed in the volumetric analysis discussed above.…”

Section: Resultssupporting

confidence: 52%

“…The hydrophilic− hydrophilic and ionic−hydrophilic interactions between the solute and solvent molecules are justified by the positive values. 52 Additionally, sodium benzoate has lower transfer values than those of tripotassium citrate, an observation that is also noticed in the volumetric analysis discussed above.…”

Section: Partial Molar Isentropic Compression Of Transfermentioning

confidence: 58%

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Explorations on Solute–Solvent Interactions of Tripotassium Citrate and Sodium Benzoate in Aqueous 1-Ethyl-3-methylimidazolium Ethyl Sulfate Solutions: Physicochemical, Spectroscopic, and Computational Approaches

Singh,

Majid,

Richu

et al. 2023

J. Chem. Eng. Data

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The present research work is concerned with the thermophysical properties of tripotassium citrate and sodium benzoate in aqueous (0.10, 0.15, and 0.20) mol·kg–1 1-ethyl-3-methylimidazolium ethyl sulfate solutions at temperatures ranging (293.15–313.15) K and 101.3 kPa pressure. The experimentally acquired density, sound speed, and viscosity data have been employed to determine numerous densimetric, acoustic, and viscometric parameters including the apparent molar volumes (V ϕ), partial molar volumes at infinite dilution (V ϕ 0), limiting apparent molar expansibilities (E ϕ 0), apparent molar isentropic compressibilities (K ϕ,s), transfer properties, hydration number (n H), viscosity B-coefficients, and thermodynamic parameters of viscous flow (Δμ1 0, Δμ2 0, ΔH 2 0, and TΔS 2 0). The above-mentioned parameters have been evaluated for the examination of interactions that are prevailing among tripotassium citrate/sodium benzoate and 1-ethyl-3-methylimidazolium ethyl sulfate in an aqueous medium. In addition, UV spectral analysis was used for the examination of interactions existing among the considered systems. Furthermore, the band gaps between the highest occupied molecular orbital and the lowest unoccupied molecular orbital for the studied systems and the interaction characteristics have been calculated using density functional theory. The obtained results inferred the predominance of the hydrophilic–hydrophilic interactions in the systems under investigation.

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Section: Resultssupporting

confidence: 52%

Section: Partial Molar Isentropic Compression Of Transfermentioning

confidence: 58%

Explorations on Solute–Solvent Interactions of Tripotassium Citrate and Sodium Benzoate in Aqueous 1-Ethyl-3-methylimidazolium Ethyl Sulfate Solutions: Physicochemical, Spectroscopic, and Computational Approaches

Singh,

Majid,

Richu

et al. 2023

J. Chem. Eng. Data

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“…The mechanism of the action of drugs is very complicated, and analyzing the nature of their solutions in aqueous media and detecting changes in solvation layers in the presence of a co-solute can be useful in this regard. It is known that the presence of a co-solute affects the structural organization, and it can stretch or loosen the layout of water molecules in the vicinity of the solute and co-solute; this, in turn, affects the structure of the bulk water, biological activity, and its solubility in numerous ways . Hence, in this work, various interactions of semicarbazide hydrochloride and domiphen bromide in water and aqueous maline solutions are studied as a function of temperature to get significant data about the transmission and absorption of these drugs through biological membranes.…”

Section: Introductionmentioning

confidence: 99%

“…It is known that the presence of a co-solute affects the structural organization, and it can stretch or loosen the layout of water molecules in the vicinity of the solute and co-solute; this, in turn, affects the structure of the bulk water, biological activity, and its solubility in numerous ways. 24 Hence, in this work, various interactions of semicarbazide hydrochloride and domiphen bromide in water and aqueous maline solutions are studied as a function of temperature to get significant data about the transmission and absorption of these drugs through biological membranes. Therefore, setting forth the physicochemical data and our interpretation of interactions of domiphen bromide and semicarbazide hydrochloride in maline is of scientific and industrial importance.…”

Section: Introductionmentioning

confidence: 99%

Thermophysical Studies on Molecular Interactions of Semicarbazide Hydrochloride/Domiphen Bromide in Aqueous Deep Eutectic Solvent Media at Various Temperatures

et al. 2022

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A comprehensive examination of the thermophysical properties of semicarbazide hydrochloride and domiphen bromide in water and aqueous maline solutions (maline, a deep eutectic solvent (DES) made by mixing choline chloride and malonic acid in 1:2 mol ratio) has been done by a combination of ultrasonic, volumetric, viscometric, and thermodynamic methods at the temperature range from 293.15 to 318.15 K. Exploration of molecular interactions through the procured thermophysical properties is very important because it provides an insight into the forces that are operating in the liquid mixtures. In the present study, thermophysical parameters such as apparent molar volume (V ϕ ), apparent molar isentropic compressibility (K ϕ,s ), viscosity coefficients, Hepler's constant, etc. are studied for the abovementioned drugs in water and aqueous maline solutions. The results revealed the dominance of solute−solvent interactions in the studied systems, which were found to escalate with elevation in temperature and with the concentration of maline. The results are discussed in terms of hydrophilic−hydrophilic and hydrophilic−hydrophobic interactions in these systems along with the structure breaking/making ability of the drugs. The co-sphere overlap model has been used to interpret the positive transfer values.

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Effect of semicarbazide hydrochloride on the physicochemical properties of L-leucine and glycylglycine at varied temperatures and compositions

Bandral,

Singh,

Richu

et al. 2024

The Journal of Chemical Thermodynamics

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Insights into molecular interactions of L-histidine and L-threonine in aqueous procaine hydrochloride solutions at different temperatures: Physicochemical and spectroscopic approach

Cited by 5 publications

References 55 publications

Explorations on Solute–Solvent Interactions of Tripotassium Citrate and Sodium Benzoate in Aqueous 1-Ethyl-3-methylimidazolium Ethyl Sulfate Solutions: Physicochemical, Spectroscopic, and Computational Approaches

Explorations on Solute–Solvent Interactions of Tripotassium Citrate and Sodium Benzoate in Aqueous 1-Ethyl-3-methylimidazolium Ethyl Sulfate Solutions: Physicochemical, Spectroscopic, and Computational Approaches

Thermophysical Studies on Molecular Interactions of Semicarbazide Hydrochloride/Domiphen Bromide in Aqueous Deep Eutectic Solvent Media at Various Temperatures

Effect of semicarbazide hydrochloride on the physicochemical properties of L-leucine and glycylglycine at varied temperatures and compositions

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