Masson Equation Research Articles

Physicochemical Exploration of Some Biologically Potent Molecules Prevailing in Aqueous Solution of an Anticoagulant Drug with the Manifestation of Solvation Consequences

Aims: Our research aims to uncover how solute-solvent and solute-solute interactions behave in aqueous solutions, exploring how temperature variations and concentration changes influence these interactions. This can provide deeper insights into the behavior of molecules in different environments, potentially leading to applications in fields such as drug delivery, chemical reactions, and material science. Background: In the aqueous ternary system, the physicochemical interactions between a medically powerful pharmacological molecule and two naturally occurring amino acids were explored. The investigations were performed in a dilute to infinite dilute medium to study the interactions between the solutes and solvent extensively. Objective: The objective of this research is to systematically investigate the nature of solute- solvent and solute-solute interactions in aqueous solutions across a range of temperatures and concentrations. By doing so, we aim to elucidate the underlying principles governing these interactions, which could contribute to a deeper understanding of solution chemistry. This knowledge is intended to inform the development of more efficient and effective applications in various scientific and industrial fields, including drug formulation, catalysis, and material design. Method: To characterize and calculate the interactions in the ternary system, various models and formulas were considered and applied. Based on various parameters, including viscosity B-coefficient, apparent molar volume, and molar conductance from viscosity, density, and conductance studies, varying temperatures and concentrations were used to elucidate the molecular interactions. To elucidate the interactions between solute with co-solute and with solvent, the limiting apparent molar volumes and the experimental slopes, derived from the Masson equation, and the Viscosity constants A and B, obtained via the Jones-Doles equation, were examined. To illustrate the structure- breaking/ making character of the solutes in the solution, Hepler’s method and dB/dT values were applied. Results: The results indicated that hydrophobic-hydrophobic interaction plays a significant role in the system. Conclusion: These amino acid interaction models may explain the properties of a variety of physiologically active compounds, and the mechanism can be expanded to comprehend the nature of similar systems. Furthermore, the research could lead to advancements in areas such as pharmaceutical sciences, where controlling solute interactions is crucial for drug delivery systems, and in environmental chemistry, where understanding pollutant behavior in water is essential for remediation efforts.

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

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 l-methionine (amino acid) solution. The apparent molar volume (Φv), 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 (Φv 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 Δμ1 0#, Δμ2 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), 1H-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.

Thermodynamic and volumetric properties of hydroxamic acids in dimethylsulfoxide at T = (298.15 to 313.15) K

Physical properties, such as density, (ρ) and refractive index, (n) of three hydroxamic acids (N-phenylbenzo-, N-phenyl-4-methyl-3-nitrobenzo-, and N-phenyl-4-nitrobenzo-) were measured in dimethyl sulfoxide (DMSO) as a function of concentrations at T = (298.15, 303.15, 308.15, and 313.15) K . The apparent molar volumes (Vϕ0), limiting apparent molar volumes (Vϕ0) at infinite dilution, slope (SV*) and Hepler's constant (∂2Vϕ0∂T2) are calculated from the experimental values of densities (ρ) by applying the Masson's equation. The apparent molar expansibilities at infinite dilution (ϕ0E), molar volumes (V), thermal expansion coefficient (α2) and the excess molar volumes (VE) are also computed. The precise refractive indices (n) data have been used to evaluate the steric parameters viz. molar refractions (RM), polarizability (α) and excess molar refraction (RME) of these molecules. It is inferred from these results that the above mentioned drugs act as structure-making compound due to hydrophobic hydration of the molecules in the drug.

Physicochemical investigation of L-Asparagine in green solvent arrangements with the manifestation of solvation consequences

Solution behaviour prevailing in L-Asparagine in two aqueous ionic liquid solutions, namely (Benzyl tri–methyl ammonium chloride; Benzyl tri-ethyl ammonium chloride) have been studied by investigation of physico-chemical parameters; density, viscosity, refractive index, conductance and surface tension measurement respectively. The nature of interactions occurring in the solution have been calculated on the basis of apparent molar volume, viscosity A and B-coefficient, molar refraction at 298.15K,303.15K,308.15K and at 0.001m, 0.003m, 0.005m concentrations. The limiting apparent molar volumes (φV0) obtained from Masson equation, viscosity parameters, A and B coefficients obtained from Jones-Doles equation, Molar refraction (RM) from the Lorentz-Lorenz equation that describe the nature of solute-solute and solute-solvent interactions in the solution. Specific Conductance of the experimental solution, which applied to ascertain the ionic nature of the system. The different thermodynamic data, Δμ10≠, Δμ20≠, ΔH0≠, and TΔS0≠ also suggest the presence of strong interactions in the studied systems. The various types of interactions existing among amino acids in presence of ionic liquids which are the protein backbone would advance a many-dimensional challenge in the arena of solution chemistry. Studies of such systems could be forward-thinking further using the correlated results of the investigation.

Molecular Interactions of Some Bioactive Molecules Prevalent in Aqueous Ionic Liquid Solutions at Different Temperatures Investigated by Experimental and Computational Contrivance

The solute –solvent interaction between ionic liquids (ILs) and amino acids (AA) in aqueous media plays a significant role for the optimization of a number of important biotechnological processes. l-Valine and l-Proline (two solute molecules) interact with an ionic liquid (Benzyltributylammonium chloride) in aqueous medium. Based on the different parameters such as apparent molar volume, viscosity B-coefficient, molar refraction, molar conductance at different temperatures and different concentrations from density, viscosity, refractive index, conductance measurements have been used to explain the molecular level interactions which was supported by NMR and UV–Vis studies. Using Masson equation, the experimental slopes and the limiting apparent molar volumes are obtained which explain the solute-solute and solute-solvent interactions. Hepler's technique and dB/dT values have been used to examine the structure-making and structure-breaking nature of the solutes in the solvents. Viscosity parameters, A and B obtained from Jones-Doles equation explained the solute-solute and solute-solvent interactions in the solution. Lorentz-Lorenz equation has used to calculate the molar refraction. The specific conductance also explained the interaction properties. Further the findings have been supported by NMR study of the solutions and also considerable amount of theoretical analysis has been done which was in good agreement with the experimental result. The behavior of many other bio-molecules can be explained by considering amino acids as model and the mechanism has been extended to elucidate the behavior of other (biological) systems. In our findings we were emphasized on the nature of solute–solvent interactions and the presence of structural effect on the solvent in solution to analyze the molecular-level interactions prevalent in the systems.

Comparison of different types of molar volume equations for the validity and applicability in a ternary (carbamazepine+alizarin+methanol) solution system and study of the corresponding molecular interactions

In this work, the molecular interaction between the carbamazepine and alizarin in methanol has been represented in terms of limiting apparent molar volumes and viscosity coefficients. Before further proceeding, the validity and applicability of the calculation of apparent molar volumes have also been checked by considering the available five types of frequently used equations, where the required modifications have proposed by the addition of hypothetical mass and concentration of the solute. After that, the limiting apparent molar volume and viscosity coefficients have been calculated using Masson equation and Jones?Dole equation respectively to predict and cross-check the interactions occurring between the molecules in ternary system. The equation marked with (1) has been found the best-fit equation, and the carbamazepine and alizarin in methanol are strongly bound (?V o = 23104 m3 mol-1 and B = 18.10 kg mol-1) to each other at the concentration 0.003 mol kg-1. The results have been interpreted in favour of the solute?cosolute interactions, which is dominant over the solute?solute and cosolute?cosolute interactions. The interpretations have been discussed with the help of intermolecular forces and noncovalent interactions.

STUDY THE TEMPERATURE EFFECT ON APPARENT MOLAR VOLUMES AND VISCOSITY (JONES DOLE COEFFICIENT) OF MAGNESIUM SULPHATE, ALUMINIUM AMMONIUM SULPHATE AND POTASSIUM ALUMINIUM SULPHATE IN BINARY MIXTURE OF AQUEOUS DMF AND AQUEOUS DMSO

The apparent molar volumes (фv) and viscosity B coefficients (Jones Dole)for Magnesium sulphate, Aluminium ammonium sulphate and Potassium aluminium sulphate in aqueous Dimethylformamide (DMF) and aqueous Dimethyl sulphoxide (DMSO) were evaluated from density (ρ) and viscosity (η) at various temperatures as 308.15, 313.15, 318.15 and 323.15K with help of bicapillary pycnometer and Ubbelohde viscometer instruments respectively. The densitydata for all the solutions were analyzed in limiting apparent molar volume (фv°) and experimental slopes (Sv) obtained from Masson equation. The viscosity data of solution were analyzed in term of A and B coefficient obtained from Jone-Dole equation.

Partial molar volumes and thermodynamic properties of alkali metal halides in 10% (w/w) 2-(Ethoxy) ethanol water mixture

Apparent molar volumes of alkali metal halides in 10% (W/W) 2-(Ethoxy) ethanol-water mixture were calculated from the measured densities at 303.15K, 308.15K and 313.15K. Using Masson equation the partial molar volumes were obtained which are further divided into ionic components adopting the methods of Conway and Jolicoeur. A comparison of values of ionic partial molar volumes of alkali metal and halide ions with the values reported in pure water indicates a decrease in hydrophobic hydration, which may be due to the addition of co-solvent 2-(Ethoxy) ethanol. The conclusions drawn from viscosity studies confirm that the structure of water is reduced by the breaking of hydrogen bonds in 2-(Ethoxy) ethanol-water mixture. For all the ions, the values are divided into and . Using the Padova’s equation, the values of alkali metal salts were calculated and further divided into ionic contributions. Calculated dimensions of ions show that the classification of alkali metal halide salts into structure makers and structurebreakers based on the sign of is not valid for the present solvent system.

Volumetric and isentropic compressibility behaviour of ionic liquid, tetrapropylammonium bromide in some inorganic salts aqueous systems at T = (293.15 to 318.15) K

ABSTRACT In this work, to obtain evidence about the salting-out effect, a set of thermophysical properties, namely, density and speed of sound measurements were determined for the systems containing the ionic liquid tetrapropylammonium bromide and some inorganic salts at temperatures from T = 298.15 to 318.15 K and ambient pressure. For the investigated systems, the apparent molar volumes and apparent molar isentropic compressibilities at infinite dilution have been calculated at each temperature using the Masson equation. For all of the systems investigated the intermolecular interactions are weaker and also increase regularly with an increase in temperature. The values of TPAB are both negative and positive. For low concentrations, the isentropic compressibilities decrease with an increase in temperature. At a fixed temperature, the isentropic compressibilities also decreased with an increase in concentration of the solute.

Assorted Interactions Prevalent in Uracil and Aqueous Gallic Acid Solution Explored by Physicochemical Contrivance

The solute-cosolute interaction of uracil by gallic acid has been studied through physicochemical investigation in aqueous environment. Here, we have carried out the density (ρ) and viscosity (η) measurements of uracil in w1= 0.001, 0.002 and 0.003 mass fraction of aqueous gallic acid binary mixtures at T= 298.15 K, 303.15 K and 308.15 K at pressure 1.013 bar. Some important parameters have been derived from the above physicochemical method, namely, limiting apparent molar volume (<i>φ_V</i>⁰) and viscosity <i>B</i>-coefficients using extended Masson equation and Jones-Dole equation respectively. The refractive index (<i>n_D</i>) has been done on the same system at T=298.15 K. Lorentz-Lorenz equation has used to evaluate molar refractive index (R_M) and limiting molar index (R_M⁰). The NMR study used to measure the plausible selective site of solute-cosolute interaction.<div><br></div>

Interactions of Cetyltrimethylammonium Bromide with 1,3-Dioxolane in Water: A Study of Viscosity and Volumetric Properties

Densities and viscosities of ternary mixtures containing cetyltrimethyl ammonium bromide (CTAB) in aqueous solution of 1,3-dioxolane have been measured at 5 K intervals from 298.15 to 313.15 K and at atmospheric pressure. The experimental results of viscosity and density have been analyzed by using Jones-Dole equation and Masson equation. The values of constants A and B of Jones-Dole equation have been interpreted in terms of solute-solute and solute-solvent interactions. The standard partial molar volume,Vφ 0 at infinite dilution were determined from Masson equations. The structure making/breaking capacity of solute is interpreted with the help of Helper equation. The positive value of Helper′s constant (∂2Vφ 0/∂T2)p and the negative value of dB/dT shows that CTAB in studied organic solvent predominantly acts as a structure-maker.

Evaluating the solute-solvent interactions of glycine in aqueous solution of choline based ionic liquids through volumetric properties at T = (293.15 to 313.15 K)

The molecular interactions of amino acids with the different ionic liquids (ILs) are important in order to study the stability and behavior of the amino acids. In this study, we have examined the interactions of glycine in the aqueous solutions with two aprotic ionic liquids based on cholinium cation, namely, cholinium propanoate [Chl][Pro] and cholinium hexanoate [Chl][Hex]. The different interactions were quantified through their partial molar volumes (Vϕ) where it was found that the shorter chained [Chl][Pro] interacts more with the molecules of the glycine, compared to [Chl][Hex]. The derivation of infinite dilution parameter through the application of the Masson equation revealed further insights into the different types of interactions. The calculated limiting partial molar volume of transfer, (ΔVϕ0 values for water to aqueous solutions of ILs indicated that hydrophobic-hydrophobic interactions dominates over other attractive interactions in longer chain [Chl][Hex] than in [Chl][Pro]. The calculation of hydration number (nH) revealed that with increasing IL concentrations, lesser number of water molecules remain attached to the glycine, indicating the structure breaking nature of the ILs, which were further confirmed from the Hepler equation.

Diverse Interactions of N-Methyl Glycine in Aqueous Paracetamol Solution with the Manifestation of Solvation Consequences

The apparent molar volume (ϕV) and viscosity B-coefficient of N-methyl glycine of 0.01 M, 0.02 M and 0.03 M aqueous solutions have been estimated in presence of paracetamol at three temperatures namely 298.15 K, 303.15 K and 308.15 K from physicochemical study such as density (ρ) and viscosity (η) and refractive index measurements and 1 H NMR spectroscopy. The volumetric study was employed to evaluate limiting apparent molar volumes (ϕ V 0 ) and experimental slopes (S V *) by using Masson equation for explaining solute–solvent and solute–solute interactions, respectively. The nature of group interactions between the solute, solvent and co-solute have been examined from limiting apparent molar volumes of transfer (Δϕ V 0 ) values. The viscosity data were employed to determine viscosity A and B coefficients from Jones–Dole equation and the resulting parameters were used to examine the solute–solute and solute–solvent interactions in the solutions. Molar refraction values calculated from refractive indices by applying Lorentz–Lorenz equation were used to depict the intermolecular interactions between N-methyl glycine and paracetamol in their aqueous solution. However, the 1 H NMR spectroscopy supports the existence of diverse interactions concretely.

Volumetric and Viscometric studies of vitamin (B6) in aqueous and acidic media at different temperatures

Densities and viscosities of pyridoxine(B6) in aqueous and acidic solutions at 298.15-313.15K have been measured. By Masson equation the experimental values of densities were used to estimate some significant parameters, such as apparent molal volume(Φv), limiting apparent molal volume(Φv0) and slop Sv, and the viscosity data have been investigatevia Jones-Dole equation, and the derived parameters, Jones-Dole coefficient B, and Falkenhagen coefficient A. The results were interpreted in term of solute-solute and solute –solvent interaction. The difference of B coefficient with temperature (dB/dT), was also determined the positive values indicate that pyridoxine(B6)in aqueous and acidic solutions is structure making.

Structure Breaking/Making Property of Acefylline Piperazine in Aqueous, Aqueous Methanol, and Aqueous Ethylene Glycol Systems

Densities of acefylline piperazine (AP) in aqueous, aqueous methanol, and aqueous ethylene glycol (10% v/v) systems are determined in the concentration range 0.04-0.14±0.001 mol/dm3 at different temperatures (298.15-318.15 K) with the interval of 5 K. The apparent molar volume (φv), the partial molar volume $$(\phi_v^0)$$ , and the ion-ion interaction parameter (Sv) are calculated using the Masson equation. Partial molar expansibilities $$(\phi_E^0)$$ , which indicate the presence or absence of the caging or packing effect, are also evaluated and discussed. The results are interpreted in terms of solute-solvent and solute-solute interactions of AP in aqueous, aqueous methanol, and aqueous ethylene glycol systems. The structure-breaking and structure-making properties of AP are inferred by the sign of Hepler′s criterion $$(\partial^2\phi_v^0/\partial{T}^2)_p$$ , i.e. the second derivative of the partial molar volume with respect to the temperature at the constant pressure.

Micellar Features and Various Interactions of Copper Soap Complexes Derived from Edible Mustard Oil in Benzene at 303.15 K

Background: The study of various physical behavior of macromolecules in solution is important in understanding the mechanism of transport process. Therefore, our keen intreset to study of various physical parameters of Cu (II) surfactants in benzene a non –polar solvent. Objective: The present work deals with the study of density, molar volume, apprent molar volume of copper surfactants derived from mustard oil in a binary system. Method: Complexes derived from mustard oil with urea / thiourea / 2-amino-6-chloro benzothiazole ligand were synthesized. The synthesized complexes were characterized by elemental analysis, melting points and their IR, NMR and ESR spectral studies. Results: The results were used to determine the critical micelle concentration (CMC), various interactions and the effect of chain length of the soap molecule in non- aqueous, non- polar solvent. The CMC values are found to decrease with increase in average molecular weight of the soap complexes. The apparent molar volume has been examined in terms of Masson equation. Conclusion: This study helps in interpretation of solute solvent interactions, structural insight of micelle and colloidal chemical behavior in binary systems. Study of these factors is essential as it indirectly makes them responsible for their immense applicability in wide areas of field. Keywords: Cu (II) soap, edible mustard oil, soap- solvent interaction, CMC, density, Masson equation.

Ultrasonic Studies of Cu(II) Soaps Derived from Mustard and Soya Bean Oils

Abstract Ultrasonic velocities have been measured in ternary mixtures containing copper soaps derived from mustard and soya bean in 20% and 40% methanol-benzene mixture to access the effect of polarity of solvent on the micellar features of surfactant. The studies suggest that predomination of benzene (higher percentage of non-polar solvent) play a significant role in compacting the molecular organization of the micelles. From these values, the specific acoustic impedance Z, adiabatic compressibility βad, intermolecular free length Lf, apparent molar compressibility ϕk, molar sound velocity R, primary solvation number Sn have been calculated. The data clearly indicate that the values of u, Z, Sn and R increase whereas the values of βad and Lf decrease consistently with increase of the soap concentration. The critical micelle concentration CMC has also been determined and it has been found that CMC is dependent on the composition of the solvent mixture and composition of the edible oil. The Masson equation has also been applied. The results have been explained on the basis of intermolecular interactions between solvent and solute.

Density and Solvation Effects of Imidazolium Based Ionic Liquids in Propylene Carbonate

The results of densimetry investigation of the solutions of 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF4), hexafluorophosphate (BMIMPF6) and bromide (BMIMBr) in propylene carbonate (PC) at 298.15, 318.15, 338.15 and 358.15 К are presented and discussed in terms of apparent partial molar volumes and solvation contribution. Density measurements were carried out using the vibrational tube densitometer Mettler Toledo DM 50 with accuracy ± 3∙10-5 g/cm3. The limiting partial molar volumes of investigated ionic liquids in PC were obtained from density experiment using Masson equation and divided into ionic contributions. Limiting partial molar volumes of BMIMBF4, BMIMPF6 and BMIMBr in PC slightly increase with the increase of temperature. The limiting partial molar volumes of BMIM+ cation obtained from three ionic liquids with different anions was found to have the same value, 115 cm3/mol at 298.15 K. The intrinsic volume of BMIM+ cation estimated from quantum chemical calculations at the M062X/6‑311++G(d,p) theory level exceeds one obtained from density experiment indicating that solvation of cation has a negative contribution to the volume of ion in propylene carbonate. In order to investigate the microscopic structure of the BMIM+ solvation shell in PC, molecular dynamics simulation of the infinitely dilute solution was carried out in the NVT ensemble at 298.15 K. The results of the simulation reveal that 5-6 PC molecules forming the first solvation shell penetrate into the inner space of the cation, which agrees with the results of a density experiment treatment. From the analysis of the cation-solvent site-site radial distribution functions and the running coordination numbers it was established that the most probable coordination center of PC molecule is carbonyl oxygen.

Exploration of Diverse Interactions of Some Vitamins in Aqueous Mixtures of Cysteine

The apparent molar volume (ΦV), viscosity B-coefficient, molal refraction (R) and adiabatic compressibility (ΦK) of Nicotinic Acid, Ascorbic Acid, and Folic Acid have been determined in 0.01, 0.03, 0.05 mol∙dm-3 aqueous Cysteine solutions at 298.15 K from density (ρ), viscosity (η), refractive index (nD) and speed of sound (u) respectively. The limiting apparent molar volumes (Φ0V) and experimental slopes (S*V), derived from the Masson equation, have been interpreted in terms of solute-solvent and solute-solute interactions respectively. The viscosity data were analyzed using the Jones-Dole equation and the derived parameters A and B have also been interpreted in terms of solute-solute and solute-solvent interactions respectively in the solutions. Using the Lorentz-Lorenz equation, molal refractions (R) have been calculated. At infinite dilution, limiting apparent molar adiabatic compressibilities (Φ0K) of these vitamins were evaluated and discussed.

Determination of volumetric, steric and excess properties of naphthyl hydroxamic acid derivatives in ethanol between 298.15 and 313.15 K

Densities and refractive indices of three naphthyl hydroxamic acids, N-1-naphthyl-o-ethoxybenzohydroxamic acid (NEBHA), N-1-naphthyl-o-methylbenzohydroxamic acid (N-o-MBHA) and N-1-naphthyl-p-methylbenzohydroxamic acid (N-p-MBHA) were determined in ethanol under atmospheric pressure at T=(298.15 to 313.15K). This study was undertaken to determine molar volume, V, specific molar volume, VS, apparent molar volume, Vϕ, apparent molar volume at infinite dilution, Vϕ0, and slope, SV⁎, based on the Masson's equation. The apparent molar expansibility at infinite dilution, ϕE0, thermal expansion coefficient, α2, and Hepler's constant, (∂2Vϕ0/∂T2)P, have also been calculated from temperature dependence of Vϕ0. The steric parameters such as molar refraction, RM, and polarizability, α, have been determined from the refractive index, n, data. Excess molar volume, VE, excess refractive index, nE, excess molar refraction, RME, and vander Waal constant, b, have also been estimated. These parameters have been used to understand the solute–solute and solute–solvent interactions qualitatively.