Molecular interactions of drug semicarbazide hydrochloride in aqueous-D-xylose/L-arabinose solutions at different temperatures: Volumetric, acoustic and viscometric study

Ankita,; Chand, Dinesh; Nain, Anil Kumar

doi:10.1016/j.jct.2020.106106

Cited by 12 publications

(6 citation statements)

References 40 publications

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“…Based on the treatment of the transition state, Feakins et al have suggested the following expression, considering the relative viscosity of an electrolytic solution , B = ( V 1 0 − V 2 0 ) / 1000 + V 1 0 ( Δ μ 1 0 # − Δ μ 2 0 # ) / 1000 italicRT Here, V 2 0 is the partial molar volume of the solute that is present in the solution and Δμ 2 0# is the free activation energy (kJ·mol –1 ) of viscous flow at infinite dilution per mole of solute. We get eq by rearranging the above eq normalΔ μ 2 0 # = normalΔ μ 1 0 # + italicRT V 1 0 [ B − false( V 1 0 − V 2 0 false) ] …”

Section: Resultsmentioning

confidence: 99%

Exploration of Diverse Interactions of l-Methionine in Aqueous Ionic Liquid Solutions: Insights from Experimental and Theoretical Studies

Majumder

Sinha²,

Ghosh

et al. 2023

ACS Omega

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Here, we have investigated some physicochemical parameters to understand the molecular interactions by means of density (ρ) measurement, measurement of viscosity (η), refractive index(n D ) measurement, and conductance and surface tension measurements between two significant aqueous ionic liquid solutions: benzyl trimethyl ammonium chloride (BTMAC) and benzyl triethyl ammonium chloride (BTEAC) in an aqueous Lmethionine (amino acid) solution. The apparent molar volume (Φ v ), coefficient of viscosity (B), and molar refraction (R M ) have been used to analyze the molecular interaction behavior associated in the solution at various concentrations and various temperatures. With the help of some important equations such as the Masson equation, the Jones−Doles equation, and the Lorentz−Lorenz equation, very significant parameters, namely, limiting apparent molar volumes (Φ v 0 ), coefficient of viscosity (B), and limiting molar refraction (R M 0 ), respectively, are obtained. These parameters along with specific conductance (κ) and surface tension (σ) are very much helpful to reveal the solute−solvent interactions by varying the concentration of solute molecules and temperature in the solution. Analyses of Δμ 1 0# , Δμ 2 0# , TΔS 2 0# , ΔH 2 0#, and thermodynamic data provide us valuable information about the interactions. We note that L-Met in 0.005 molality BTEAC ionic liquid at 308.15 K shows maximum solute−solvent interaction, while L-Met in 0.001 molality BTMAC aqueous solution of ionic liquid at 298.15 K shows the minimum one. Spectroscopic techniques such as Fourier transform infrared (FTIR), 1 H-NMR, and UV−vis also provide supportive information about the interactions between the ionic liquid and L-methionine in aqueous medium. Furthermore, adsorption energy, reduced density gradient (RDG), and molecular electrostatic potential (MESP) maps obtained by the application of density functional theory (DFT) have been used to determine the type of interactions, which are concordant with the experimental observations.

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Section: Resultsmentioning

confidence: 99%

Exploration of Diverse Interactions of l-Methionine in Aqueous Ionic Liquid Solutions: Insights from Experimental and Theoretical Studies

Majumder

Sinha²,

Ghosh

et al. 2023

ACS Omega

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“…The free activation energy for viscous flow per mole of solute at infinite dilution is given by Δμ 2 0# , where Δμ 2 0 is the partial molar volume of the solute. − From the above equation, eq can be found normalΔ μ 2 0 # = normalΔ μ 1 0 # + RT V 1 0 [ 1000 B − false( V 1 0 − V 2 0 false) ] …”

Section: Resultsmentioning

confidence: 99%

Exploration of Solvation Consequences of Nicotinic Acid (Vitamin B3) Prevailing in Two Significant Aqueous Ionic Liquid Solutions by Physicochemical and Computational Studies

Barman,

Saha,

Majumder

et al. 2024

J. Chem. Eng. Data

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To investigate the solution behavior of nicotinic acid (vitamin B3) in two significant aqueous ionic liquid solutions, viz., BTEAC (benzyltriethylammonium chloride) and BTBAC (benzyltributylammonium chloride), we have studied some physicochemical parameters such as density, viscosity, surface tension, refractive index, and conductivity measurements at concentrations of 0.001, 0.003, and 0.005 mol·kg–1, as well as at temperatures of 298.15, 303.15, 308.15, and 313.15 K under an atmospheric pressure of 1.013 bar. The limiting apparent molar volumes (φV 0) derived from the Masson equation, the viscosity parameters, A- and B-coefficients, and molar refraction (R M) from the Lorentz–Lorenz equation are used to criticize the solute–solute and solute–solvent interactions that prevail between vitamin B3 with aqueous IL solutions. Transfer volumes (Vφtr 0) and interaction parameters (V AB, V ABB) are also helpful for the determination of interactions associated with the ternary systems. Conductivity data is also used to explain the nature of interaction in the (vitamin B3 + aq. ILs) mixtures. Several thermodynamic parameters, such as Δμ1 0#, Δμ2 0#, TΔS 2 0#, and ΔH 2 0#, show that there are substantial molecular interactions existing in the studied system. From 1H NMR, ultraviolet–visible (UV–vis) spectroscopy information data also supported our experimental as well as theoretical findings. Optimization energy calculation by computational analysis using the density functional approach leads to the stability of the molecular assembly of the ternary (vitamin B3 + IL + H2O) system at the molecular level to validate the experimental results.

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“…Using the transition-state theory, Feakins et al have derived eq based on the relative viscosity of an electrolytic solution , as given below where denotes the partial molar volume of solute and Δμ 2 0≠ is the free activation energy per mole of solute at infinite dilution. Rearranging the above equation, we get …”

Section: Resultsmentioning

confidence: 99%

“…Using the transition-state theory, Feakins et al have derived eq based on the relative viscosity of an electrolytic solution , as given below B = ( V 1 0 ı − V 2 0 ı ) + V 1 0 ı [ false( normalΔ μ 1 0 ≠ − normalΔ μ 2 0 ≠ false) / normalR normalT ] where V 2 0 ı denotes the partial molar volume of solute and Δμ 2 0≠ is the free activation energy per mole of solute at infinite dilution. Rearranging the above equation, we get normalΔ μ 2 0 ≠ = Δ μ 1 0 ≠ + R T V 1 0 ı [ B − false( V 1 0 ı − V 2 0 ı false) ] …”

Section: Resultsmentioning

confidence: 99%

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Exploring Various Molecular Interactions of Two Essential Amino Acids Prevalent in Aqueous Solutions of an Ionic Liquid by Density, Viscosity, Refractive Index, Conductance, Surface Tension, Nuclear Magnetic Resonance, Ultraviolet, and Computational Studies

Mallick,

Mondal,

Roy

et al. 2023

J. Chem. Eng. Data

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Molecular interactions of drug semicarbazide hydrochloride in aqueous-D-xylose/L-arabinose solutions at different temperatures: Volumetric, acoustic and viscometric study

Cited by 12 publications

References 40 publications

Exploration of Diverse Interactions of l-Methionine in Aqueous Ionic Liquid Solutions: Insights from Experimental and Theoretical Studies

Exploration of Diverse Interactions of l-Methionine in Aqueous Ionic Liquid Solutions: Insights from Experimental and Theoretical Studies

Exploration of Solvation Consequences of Nicotinic Acid (Vitamin B3) Prevailing in Two Significant Aqueous Ionic Liquid Solutions by Physicochemical and Computational Studies

Exploring Various Molecular Interactions of Two Essential Amino Acids Prevalent in Aqueous Solutions of an Ionic Liquid by Density, Viscosity, Refractive Index, Conductance, Surface Tension, Nuclear Magnetic Resonance, Ultraviolet, and Computational Studies

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