Molecular interaction investigation of some alkaline earth metal salts in aqueous citric acid at various temperatures by physiochemical studies

Densities, ultrasonic velocity, conductance and viscosity of some alkaline earth metal chlorides such as magnesium chloride (MgCl2) and calcium chloride (CaCl2) were calculated in the concentration range (0.01–0.12 mol kg−1) in 0.01 mol kg−1 aqueous solution of citric acid (CA + H2O) at four varying temperatures T 1 = 303.15 K, T 2 = 308.15 K, T 3 = 313.15 K and T 4 = 318.15 K. The parameters like apparent molar volume (ϕ v ), limiting apparent molar volume ( ϕ v o ${\phi }_{v}^{o}$ ) and transfer volume (Δtr ϕ v o ${\phi }_{v}^{o}$ ) were calculated from density data. Viscosity data have been employed to calculate Falkenhagen coefficient (A), Jone–Dole’s coefficient (B), relative viscosity (η r ), and relaxation time (τ) whereas limiting molar conductance ( Λ m o ${{\Lambda}}_{m}^{o}$ ) has been evaluated from conductance studies. Using these parameters, various type of interactions occurred in the molecules have been discussed. Values of Hepler’s constant (d 2 ϕ v o ${\phi }_{v}^{o}$ /dT 2) p , (dB/dT) and d( Λ m o ${{\Lambda}}_{m}^{o}$ η o )/dT suggests that both MgCl2 and CaCl2 behave as structure breaker in (CA + H2O) system. The positive value of transfer volume exclusively tells about solute–solvent interactions which further indicate that both metal chlorides distort the structure of water and act as structure breaker. These studies are helpful in understanding the nature of interactions occurs in biological systems as CA and metal salts are essential for normal functioning of body.

Mutual Comparison Studies of Mono and Di Cations in Binary and Ternary Aqueous Electrolytes Solution at 298.15 K

Densities and viscosities of binary and ternary electrolytes solution have been determined experimentally at 298.15 K. The results obtained from density and viscosity measurement have been used to calculate apparent molar volume φv partial molar volume φov at infinite dilution, relative viscosities hrel, A and B coefficients, and free energies of activation of viscous flow of solvent Δ µ10# and solute Δ µ20. The results are discussed in terms of the dehydration effect of the weak ion-ion and strong ion-solvent interactions. The properties of these systems are discussed in terms of the charge, size, and hydrogen bonding effect.

Using Volumetric Method the Study of Molecular Interactions of NSAID (DP) in Water and Water + 1M Urea at Different Temperatures

Understanding possible interactions of drugs and the factors that command such interactions could be helpful to control their disadvantageous effects upon human health. In this study, volumetric properties for the solution of diclofenac potassium (DP), a non-steroidal anti-inflammatory drug (NSAID), were investigated for the first time to look into its molecular interactions at four different temperatures varying from 298.15 K to 313.15 K at 5 K intervals in water as well as aqueous hydrotropic agent urea (1M) solutions. Experimental density data obtained using a pycnometer have been taken to estimate apparent molar properties, i.e., limiting apparent molar volume (〖V_ɸ〗^0), apparent molar volume (V_ɸ), limiting apparent molar expansibility (〖E_ɸ〗^0) and apparent molar expansibility (E_ɸ). The results obtained were discussed in terms of solute-solvent and solute-solute interactions in the studied systems. The obtained results from volumetric data were explored in terms of the existence of solute-solvent interactions in aqueous systems of drug solutions.

Effect of the Temperature and Solvents on the Solvolysis of Barium Bromide in Aqueous-Organic Solutions: Volumetric and Viscometric Study

Volumetric and viscometric properties of solutions containing barium bromide in an aqueous solution of ethylene glycol and 1,4-dioxane have been discussed at different temperatures such as 298.15K 303.15K, 308.15K, and 313.15K. The Masson’s equation was used to determine the apparent molar volume, V_ϕ, standard partial molar volume, V_ϕ^0, molar expansibilities,E_ϕ^0 by taking the density data. The values of viscosity and density were used in the Jones-Dole equation to find the viscosity B coefficients, which were used to estimate the ion-solvent interactions. The values of Hepler’s constant (∂^2 V_ϕ^0/ ∂T2)p and the viscosity B-coefficients have been used to deduce the solvent structure-promoting or structure breaking tendency of the salt in the studied mixtures. In the current study, the positive values of Hepler’s constant and the negative values of dB/dT show that barium bromide in the considered solvents mainly behaves as a structure promoter.

Volumetric and Acoustic Properties of D(+) Glucosamine·HCl and L-Lysine·HCl in Aqueous Solutions at Different Temperatures

In present work, density and speed of sound of aqueous binary mixtures of biologically important amino acid derivatives namely D(+) glucosamine·HCl and L-lysine·HCl have been measured at three different temperatures i.e. (278.15, 288.15 and 298.15) K and in the concentration range of 0.0-0.2 mol kg-1. Using density and speed of sound data, different thermodynamic and acoustic parameters like apparent molar volume (Vφ) and apparent molar isentropic compression (Kφ) of solute have been computed at different temperatures. Speed of sound data have also been used to calculate hydration number (nH) of solute. The temperature dependence of the limiting apparent molar volume of solute has been used to calculate thermal expansion coefficient (α*), apparent molar expansivity (E0 φ) of solute and Hepler’s constant (∂2V0 φ/∂T2). The final outcome of the study has been discussed in terms of various interactions among solute and solvent molecules.

Determination of solute-solute and solute-solvent interaction of pyrimidine5-carbonitrile in aqueous DMSO at 298.15 K.

Introduction: In this reported work, we have used 80 % aqueous dimethyl sulphoxide (DMSO) for density and viscosity measurement of pyrimidine-5-carbonitrile at 298.15 K. The obtained experimental results shows that as concentration increases density and viscosity increases. From the results of density and viscosity, we have found apparent molar volume, limiting apparent molar volume, semi-empirical parameters, Falkenhagen coefficients and Jones Dole coefficients. Method: The apparent molar volume and limiting apparent molar volume having negative values indicated electostrictive solvation of ions and weak or absence of ion solvent interactions respectively. Result & Discussion : Falkenhagen coefficients is independent of concentration having positive value has shown strong solute-solute interactions and Jones-Dole coefficients having negative value has shown weak solute-solvent interactions. The strong solute-solute interactions were presents in A-1 as compared to A-2 compound because high electronegativity of oxygen atom. These parameters had given idea about molecular interactions such as solute-solute, solute-solvent and solvent-solvent. Conclusion: We have reported density and viscosity study of 4-amino-2-hydroxy-6-phenylpyrimidine-5-carbonitrile and 4- amino-2-mercapto-6-phenylpyrimidine-5-carbonitrile in 80 % aqueous DMSO solution at 298.15 K temperature. It has been observed that Strong molecular association in A-2 as compared to A-1 due to negative values of Øv.

Interactions of Drug Doxycycline Hyclate with Galactitol in Aqueous Solutions at Different Temperatures by Volumetric and Acoustic Methods

The experimental values of density, ρ and speed of sound, u of doxycycline hyclate drug (0.002–0.014) mol kg−1 in water and (0.1, 0.2 and 0.4) mol kg−1 of aqueous galactitol solutions at temperatures T = (303.15, 308.15 and 313.15) K and at atmospheric pressure have been reported in the present communication. From the experimental values, various derived parameters such as apparent molar volume (ΦV), apparent molar isentropic compression (ΦK), limiting apparent molar volume ($\phi_{\text{v}}^{\text{o}}$), limiting apparent molar isentropic compression ($\phi_{\text{K}}^{\text{o}}$), limiting apparent molar volume of transfer (Δ$\phi_{\text{V}}^{\text{O}}$), limiting apparent molar isentropic compression of transfer (Δ$\phi_{\text{K}}^{\text{O}}$), limiting apparent molar expansibility ($\phi_{\text{E}}^{\text{o}}$), thermal expansion coefficient (α) and acoustic parameters like isentropic compressibility $({{\kappa}_{\text{S}}})$, intermolecular free length (Lf), and specific acoustic impedance (Z) were calculated. The structure-making behaviour of DH in aqueous galactitol solution was determined on the basis of Hepler’s Equation i.e. on the basis of sign of ${\left({\frac{{{{\text{d}}^{2}}\phi_{\text{V}}^{\text{O}}}}{{{\text{d}}{{\text{T}}^{2}}}}}\right)_{\text{P}}}$. The various derived parameters were utilised to interpret the molecular interactions i.e. solute–solute and solute–solvent existing in the studied system.

Molecular Interactions and Aggregation Behavior of Cloxacillin Sodium in Water and Aqueous NaCl Solutions through Volumetric and Ultrasonic Sound Velocity Studies at 298.15 KMolecular Interactions and Aggregation Behavior of Cloxacillin Sodium in Water and Aqueous NaCl Solutions through Volumetric and Ultrasonic Sound Velocity Studies at 298.15 K

Molecular interactions and aggregation behavior of cloxacillin sodium (CloNa) in water and aqueous NaCl solutions was studied through volumetric and ultrasonic sound velocity method at 298.15 K and atmospheric pressure. Density, ρ, and ultrasonic sound velocity, u, of cloxacillin sodium in water and aqueous NaCl solutions were measured with a digital density and ultrasonic sound velocity analyzer (DSA 5000, Anton Paar, Austria). And from the investigational data, apparent molar volume, ϕn, adiabatic compressibility, ϕS, apparent molar adiabatic compressibility, ϕk, limiting apparent molar volume, ϕn0, limiting apparent molar adiabatic compressibility, ϕk0, and aggregation concentration, CMC of cloxacillin sodium was calculated. The outcomes indication exhibits very significant evidence about the interactions among solute-solvent-co-solute (solute-solute, solute-solvent) and aggregation behavior in the aqueous environment and this result would be useful for the drug action in human body with pharmacological applications.

Apparent molar volumes of sodium arsenate aqueous solution from 283.15 K to 363.15 K at ambient pressure: an experimental and thermodynamic modeling study

Densities of the sodium arsenate aqueous solution with the molality varied from (0.04165 to 0.37306) mol · kg−1 were determined experimentally at temperature intervals of 5 K from 283.15 K to 363.15 K and ambient pressure using a precise Anton Paar Digital vibrating-tube densimeter. The apparent molar volumes (Vϕ), thermal expansion coefficient (α) and partial molar volume $({\bar V_{\rm{B}}})$ were obtained based on the results of density measurement. The 3D diagram of apparent molar volume against temperature and molality as well as the diagram of thermal expansion coefficient and partial molar volume against molality were plotted, respectively. On the basis of the Pitzer ion-interaction equation of apparent molar volume model, the Pitzer single-salt parameters ($(\beta _{{\rm{M,X}}}^{(0)v},\beta _{{\rm{M,X}}}^{(1)v},{\rm{ }}\beta _{{\rm{M,X}}}^{(2)v}{\rm{ and }}C_{{\rm{M,X}}}^v,MX = N{a_3}As{O_4})$ and their temperature-dependent correlation F(i, p, T) = a1 + a2ln(T/298.15) + a3(T – 298.15) + a4/(620 – T) + a5/(T – 227) (where T is temperature in Kelvin, ai is the correlation coefficient) for Na3AsO4 were obtained on account of the least-squares method. Predictive apparent molar volumes agree well with the experimental values, and those results indicate that the single-salt parameters and their relational coefficients of temperature-dependence for Na3AsO4 obtained are reliable.