Intermolecular Free Length Research Articles

Ultrasonic Velocity and Related Parameters Study of PCE Water-Soluble Polymer

Density, viscosity and ultrasonic velocity of aqueous solutions of polycarboxylate ether [PCE] superplastiziser polymer at one of a thoughtful concentrations and temperatures (298.15, 303.13, 308.15 and 313.15)K. different interplay parameters were calculated by the investigational values of density, viscosity and ultrasonic velocity of polycarboxylate ether Water-Soluble Polymer. The viscosity of superplastiziser polymer solution will increase with growing awareness of aqueous answers of polycarboxylate ether. The ultrasonic speed increases from 298.15 K to 308.15K, at that time yet again decreases for 313.15K because the temperature will increase, density, adiabatic compressibility and intermolecular free length duration lower and ultrasonic velocities, acoustic impedance, molar volumes and molar sound velocities turned into discovered to will increase. The ultrasonic velocities to start with boom then decreases with growing consciousness of polycarboxylate ether. For 0.05 polycarboxylate ether it indicates most ultrasonic velocities

Investigation of Excess Thermo‐Acoustic Behavior of Binary Liquid Mixture with Various Temperatures Using Ultrasonic Technique

AbstractUltrasonic methods have been very fruitful in studying the physical properties of binary liquid combinations. In this present study, the thermoacoustic behavior of benzyl propionate with dimethyl sulfoxide (DMSO) is observed using ultrasound, density, and viscosity at different temperatures between 308 and 328 K with a phase of 10 °C. Benzyl propionate is a sweet‐smelling liquid that is used in the botanical and fruit fragrance industries, as well as in the flavoring of organic products. DMSO is a dipolar aprotic, naturally soluble compound used for slow drug synthesis, device synthesis, and drug delivery to the body. Estimated values such as adiabatic compressibility, intermolecular free length, internal pressure, and free volume are determined from arbitrary ultrasonic velocity, density, and viscosity data. The same excess parameters of adiabatic compressibility, intermolecular free length, internal pressure, and free volume support finding the nature of the reaction. The sort of interactions has been accounted for utilizing these qualities. In the present work, benzyl propionate with dimethyl sulfoxide has been characterized by using ultrasonic waves and since this wave is a well‐known tool for NDT, so the mixture is properly characterized. These thermoacoustic parameters with different concentrations of DMSO at different temperatures have been used to study the complex formation and binding through intermolecular forces.

Molecular Interaction Study in the Binary Liquid Mixture of PEO and DMF by Ultrasonic Technique

The non‐destructive ultrasonic technique is a great employ for knowing the solute–solvent interaction in the polymer blend. By the ultrasonic velocity and attenuation evaluation, the visco‐elastic behaviors of the polymer solution have been assessed and compared with the results of conventional dynamic mechanical analysis. In the present research work, a comprehensive ultrasonic investigation of molecular interaction in a polymeric mixture of Poly (ethylene oxide) PEO and dimethyformamide (DMF) at 333 K has been executed by using the information provided by the literature. For this purpose, ultrasonic waves of two different frequencies such as 2 and 5 MHz have been implemented. Several acoustical parameters such as adiabatic compressibility, acoustic impedance, relaxation time, and ultrasonic attenuation coefficient (𝛼/𝑓2) are explored. Thermodynamic parameters like relative association and intermolecular free path length are also estimated. The evaluated values have been associated with the previous experimental results. The non‐ideal approach of the solution is analyzed and discussed in detail.

Application of PC‐SAFT EoS and SCFT for the modeling of thermophysical properties comprising deep eutectic solvent and alcohols

AbstractZinc (II) chloride based deep eutectic solvent (DES) were formed by mixing zinc (II) chloride with phosphoric acid. Fourier‐transform infrared spectroscopy was used to identify any possible shifts when the two compounds were assorted, and differential scanning calorimetry (SDT Q600 V20.9 Build 2D) was utilized to evaluate the formation of deep eutectic solvent. Densities, , and speed of sound, u, of [ZnCl2][phosphoric acid] 1:2.5 with methanol, ethanol, or propanol have been measured at T = (293.15, 303.15, 308.15, and 313.15) K and at atmospheric pressure. Excess molar volumes ( ), isentropic compressibilities ( ), deviation in isentropic compressibility ( ), and intermolecular free length ( ) were calculated from the densities, and speed of sound, respectively. To fit the excess molar volumes and deviation in isentropic compressibilities, the Redlich–Kister smoothing polynomial was used. Also, we have used perturbed chain statistical associating fluid theory equation of state (PC‐SAFT EoS) for modeling the densities of the binary mixtures, and Schaaff's collision factor theory (SCFT) and Nomoto's relation (NR) were used for modeling the speed of sounds for the binary mixtures.

Physicochemical properties, theoretical modelling and molecular interaction analysis in ternary liquid mixtures containing 1-propanol, 1,3-diaminopropane and ethyl acetate at temperature 298.15–318.15 K

In the present report, density (ρ), viscosity (η), speed of sound (u) and refractive index (nD) of ternary liquid mixture containing 1-propanol (1P) (1) + 1,3-diaminopropane (1,3-DAP) (2) + ethyl acetate (EAc) (3) were measured at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Data of ρ, η, u and nD were used to compute the excess molar volume, VmE, deviation in viscosity, Δη, deviation in ultrasonic speed, Δu, excess isentropic compressibility, ksE, excess free volume, VfE, excess intermolecular free length, LfE, excess available volume, VaE, and deviation in refractive index, ΔnD, and these computed physicochemical properties were fitted to Singh equation. The VmE data were fitted to the Nagata and Cibulka equations. Further, Kohler model, Tsao-Smith model, Radojkovic model, Jacob-Fitzner model and Rastogi model were used to calculate the VmE values. The speed of sound data was analyzed by various correlations such as Van Dael, Nomato, Impedance dependence, Schaaff’s collision factor theory (CFT) and Jacobson’s free length theory (JFLT). Various correlations like Heller, Arago-Biot, Lorentz-Lorenz, Erying, Newton, Gladstone-Dale, and Weiner were used to correlate nD data.

Thymoquinone-Micellar Interactions: A physico-chemical investigation at molecular level

Thymoquinone (TQ) is considered the most-active component of the well-known essential oil of the black cumin/seeds (Nigella sativa L.), also known for its wide-spectrum anticancer and other pharmacological potentials since ancient times. Apart from its thermo- and photo-sensitive nature, TQ has also been reported to demonstrate strong hydrophobicity and low bioavailability. These physico-chemicals, properties hinder the development of a successful oral dosage formulation. Interaction of the pharmacologically active molecule with biological membranes is crucial step to manifest health-related effects. However, further insight into the biophysical interactions of “active” natural chemotherapeutics with cellular membranes can play a vital role in designing and developing new anti-cancer regimens. In this context pseudo-membrane models comprising ionic and non-ionic micelles offer a useful way to explore in vitro drug-membrane interactions at the molecular level. The present study focuses on the physicochemical interactions of a thymoquinone (TQ) with micelles of ionic (dodecyl trimethylammonium bromide, DTAB; and sodium dodecyl sulfate, SDS) and non-ionic (tween-80 and TX-100) surfactants at the molecular level in aqueous medium. Volumetric and acoustic parameters (apparent molar volume (ɸV), isentropic compressibility (Ks), apparent molar isentropic compressibility (ɸk), specific acoustic impedance (Z), relative association (RA), intermolecular free length (Lf)) are calculated from experimental data of density and sound velocity and interpreted in terms of solute/solvent–solute/solvent interactions using the co-sphere overlap model and the electrostriction effect. Further, UV spectroscopy and conductivity studies are used to predict the locus of TQ in the micelles, binding constant (Kb), partition coefficient (Kc), and free energy changes of TQ-micelle systems in the presence of surfactants. The results show that the binding and partitioning of TQ is more significant with TX-100 as compared with other ionic and non-ionic surfactants used.

Excess Properties, Partial Volume per Mole and FITR Spectral Studies in Liquid Mixtures of Furfuryl Alcohol with Primary and Secondary Anilines

ABSTRACT Speeds of ultrasound and densities of Furfuryl alcohol (FFA), Aniline (AN), N-Methylaniline (NMA) and N-Ethylaniline (NEA) along with the binary mixtures FFA+AN, FFA+NMA, FFA+NEA are measured at temperatures (303.15–318.15) K. From the experimental speed of ultrasound and density, excess parameters namely excess intermolecular free length ( L f E ), excess volume per mole ( V m E ) and deviation in isentropic compressibility (∆κs) are determined. The result of excess properties is supported by excess partial volume per mole ( V ˉ m , i E ) studies. The calculated excess and deviation functions have been fitted to the Redlich-Kister polynomial equation, and the observations have been analysed in terms of molecular associations. The variation of these excess parameters indicated the presence of specific interactions between component molecules. Further, FTIR spectra for the three mixtures were recorded and analysed to correlate with the thermodynamic and volumetric results. A good agreement was found between the two studies.

Molecular interactions in ternary system of K-contin and (2-Aminoacetamido)acetic acid at various temperatures–ultrasonic and viscometric analysis

Ultrasonic techniques are frequently used in organic molecule conformation analysis. Mixtures of ternary liquid complexes are extensively used for comprehending the strength as well as the characteristics of the interactions between molecules. Experimentally, the thermo physical properties of ternary liquid mixtures such as viscosity (η), density (ρ) and velocity (u) of K-contin, (2-Aminoacetamido)acetic acid and non-aqueous medium were determined over temperature ranges of 298.15, 308.15 and 318.15 K. The experimental data were used to ascertain the thermoacoustic parameters such as free volume, internal pressure, adiabatic compressibility, solvation number, specific acoustic impedance and intermolecular free length. These parameters are more useful for predicting and validating molecular interactions.

Acoustical Studies on Binary Mixtures of Methyl Acrylate with Benzene and Mono-Substituted Benzenes at 313.15 K

Ultrasonic velocities and Densities of binary mixtures of Methyl Acrylate (MA) with Benzene and mono-substituted Benzenes like Benzene (B), Methyl benzene (MB), and Ethyl benzene (EB) have been measured at 313.15 K, by using these data, various acoustical parameters like Isentropic compressibility (KS), Intermolecular free length (Lf), acoustic impedance (Z) and relative association (RA) were calculated, further by using these acoustical parameters, excess properties like excess ultrasonic velocities (uE), excess acoustic impedance (ZE), excess isentropic compressibility (KSE) and excess inter-molecular free-length (LfE) were calculated and fitted to Redlich-Kister equation. The existence of inter-molecular interactions between the components in the liquid mixtures was discussed.

Study of Structural, Optical and Acoustical Properties of Sodium Sulfate Incorporated Polyvinyl Pyrrolidone (PVP) Composite

The structural, optical and acoustical properties of a polymer composite of sodium sulfate (Na2SO4) doped polyvinyl pyrrolidone (PVP) were studied. The simple chemical route method was utilized for the preparation of the polymer composite by varying the concentration of Na ions in the PVP. The pure 3% PVP solution was mixed with five different concentrations of Na2SO4 solutions in the ratio of 80:20. X-ray diffraction (XRD) spectra of PVP/Na2SO4 (1.0% of Na2SO4 in 3.0% of PVP) confirmed the crystalline nature of the PVP/Na2SO4 polymer composite. The identification of several chemical functional groups contained in the PVP/Na2SO4 was demonstrated by Fourier transform infrared (FTIR) spectroscopy. The FTIR showed the excellent interaction between the polymer (PVP) and the dopant Na2SO4. Optical studies were performed by utilizing a UV-visible absorbance spectrophotometer. The UV-VIS spectroscopy results indicated that absorption increased in an asymmetric manner and the absorption peak showed a red shift with increasing Na ions concentration in the host PVP. The optical band gaps (direct and indirect) were found to decrease with increase in Na ions concentration in the polymer due to increase in the density of localized states in the band-gap. The activation and Urbach energies were evaluated from the conductivity measurements and the absorption coefficient, respectively. Several acoustical parameters, viz. ultrasonic velocity, density, viscosity, adiabatic compressibility, intermolecular free length, acoustic impedance, and surface tension, were also computed. The ultrasonic velocity, acoustic impedance, density, viscosity, and surface tension of the polymer solutions were found to increase while the adiabatic compressibility and intermolecular free length decreased with the addition of increasing amounts of Na ions in PVP.

Experimental analysis of volumetric, acoustic, viscometric and optical properties of water with 1-amino-2-propanol, 1,2-diaminopropane and 1,3-diaminopropane at T=298.15 -318.15 K: Molecular Modelling by Graph, PFP and IR spectroscopy investigations

BackgroundLiquid mixtures are used as a solvent in most of the natural systems and chemical processes. Therefore, the physicochemical properties of liquid mixtures at different compositions and at different temperatures have a significant role in the optimization of chemical processes. The present report involves the analysis of the thermophysical properties of water (1) and amines (2). MethodsDensity, ρ, dynamic viscosity, η, refractive index, nD, and speed of sound, u, data were measured for binary mixtures of water (1) and amines (1A2P (1-amino-2-propanol), 1,2-DAP (1,2-diaminopropane) and 1,3-DAP (1,3-diaminopropane) (2) at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Based on experimental data, the excess molar volume, VmE, deviation in dynamic viscosity, Δη, excess Gibbs free energy of activation, G*E, deviation in refractive index, ΔnD, excess ultrasonic speed, uE, excess isentropic compressibility, KsE, deviation in free volume, ΔVf, excess available volume, VaE, and excess intermolecular free length, LfE, were calculated and these evaluated properties were fitted to Redlich-Kister polynomial (R.K.). The VmE data was analyzed by Prigogine-Flory-Patterson (PFP) theory. The dynamic viscosity, η, values were studied by different correlations. The VmE and Δη data were also analyzed by Graph theoretical approach (GTA). Raman and FT-IR spectroscopic studies give important information about the intermolecular interactions present between unlike molecules water (1) and amines (2) which is also recognized by GTA. Significant findingsThe value of VmE and KsE values were found negative over the whole composition range, and it follow the sequence as: 1,2-DAP > 1,3-DAP > 1A2P with water at equimolar composition. GTA and PFP well supported the VmE data. GTA studies help in investigating the specific intermolecular interactions between unlike components. Further, Graph theory studies predicted OH—–NH interaction is dominant interaction among all interactions which were also supported by Raman and FTIR spectroscopic studies.

Thermodynamic Study of Properties in Certain Binary Liquid Mixtures Containing Anisole with 2-Butoxyethanol at Different Temperatures (303.15K to 318.15K)

Comprehensive experimental investigations were carried out on density (ρ), viscosity (η), and ultrasonic velocity (u) for binary mixtures comprising Anisole and 2-Butoxyethanol within the temperature range of 303.15K to 318.15K, covering the complete range of mole fractions. These parameters were measured at intervals of 5K. Derived excess parameters, including acoustic impedance (ZE), intermolecular free length (LEf), molar volume (VEm), excess ultrasonic velocity (uE), and excess viscosity (ηE), were calculated to probe the molecular interactions present in the mixture. These excess parameters were correlated with temperature and mole fraction, revealing the complexity and nature of intermolecular interactions. Notably, the Arrhenius, Bingham, Eyring, Grunberg, Kurata, Nissan, and Tamura models were utilized to theoretically validate the acquired empirical data. This study aims to offer invaluable insights into the thermodynamics and molecular dynamics that govern these binary liquid mixtures.

Influence of ionic size on the optical and thermodynamical properties of chitosan based polymer composites with different ammonium halides

The biopolymer chitosan has been dissolved with 1% of acetic acid and the same has been embedded with different salts of ammonium halides like NH4F, NH4Cl, NH4Br, and NH4I with different concentrations to make the composites. The density, refractive index, and ultrasonic velocity of the said composite materials were measured and the space-filling factor along with polarizability and dielectric constant is obtained from refractive index data. From the refractive index data, the parameters like dielectric constant(ε), polarizability(α), and space-filling factor are calculated and from the ultrasonic velocity, the thermodynamical properties like relaxation strength (r s), acoustic impedance (Z), adiabatic compressibility (βs), intermolecular free length (Lf) and surface tension (σ) were calculated. The ultrasonic velocity of chitosan solution is 1515 ms− 1. The addition of ammonium halides leads to increase in ultrasonic velocity. The intermolecular free length (Lf), adiabatic compressibility (βs), and relaxation strength (r s) are decreasing and all other parameters are increasing with respect to ionic size and concentration of ammonium halides. All the results are analyzed and discussed with respect to the ionic size of the ammonium salts and concentrations.

Synthesis and Characterization of BaO-Enhanced Therm500 Nanofluids

In this study, we enhance the thermal conductivity of the conventional heat transfer fluid Therm500 by incorporating BaO nanoparticles. BaO:Therm500 nanofluids are synthesized and characterized at various concentrations (ranging from 0.001 to 0.006 g) and temperatures (300 K, 303 K, 313 K, and 323 K). The investigation includes the use of FT-IR spectroscopy to analyze the interaction between BaO nanoparticles and Therm500. Our findings indicate that there is no significant particle-fluid interaction. The enhanced thermal conductivity observed in BaO:Therm500 nanofluids is attributed to multiple factors. As the temperature increases, the viscosity of the nanofluid decreases, resulting in increased Brownian motion of nanoparticles and convective-like effects, ultimately leading to improved thermal conductivity. Additionally, we report the acoustic properties of BaO-Enhanced Therm500 nanofluids at the same four temperatures (300 K, 303 K, 313 K, and 323 K). Density, refractive index, and ultrasonic velocity measurements are performed for six different molar concentrations of BaO nanofluids (0.001 g, 0.002 g, 0.003 g, 0.004 g, 0.005 g, and 0.006 g). Subsequently, various acoustical parameters, such as adiabatic compressibility (β), intermolecular free length (Lf ), specific acoustic impedance (Z), Rao’s constant (R), molar compressibility (W), viscous relaxation time (τ), free volume (Vf ), Gibbs free energy (ΔG), and internal pressure (πi), are calculated. These acoustical characteristics are utilized to investigate molecular interactions within the nanofluid system. The study reveals a non-linear relationship between ultrasonic velocity and particle concentration, which is attributed to weak particle-fluid interactions. These findings provide valuable insights into the preparation and characterization of BaO-enhanced Therm500 nanofluids and their potential applications in heat transfer systems.

Ultrasonic Study of Novel Polymer Dextran in Aqueous Media at 12 MHz

Background: The characteristics of matter and the dynamics of molecular processes are examined by acoustic approaches. The primary techniques in molecular acoustics are the measure-ment of sound speed and sound absorption, as well as the relationship between these quantities and different physical variables including pressure, temperature, and wave frequency. Molecular acoustics emerged as a separate field in the 1930s. When it was discovered that many substances disperse the speed of sound during the transmission of sound waves through them and that the classical law, which states that the coefficient of absorption is proportional to the square of the frequency, however, it does not adequately describe how sound is absorbed. Objective: The ultrasonic technique is employed because it is one of the most popular techniques, which is very easy to use, and provides precise velocity results. With careful analysis of the results, the correlation between solute and solvent was discovered. In the pharmaceutical, agricultural, and cosmetics industries, dextran and its derivatives from a few select strains have found a wide range of uses. This is why we have chosen it for our study. For assessing the impact of temperature and con-centration on the aqueous medium containing the polymer dextran, ultrasonic properties are crucial. Pycnometer, Ostwald viscometer, and ultrasonic interferometer were used respectively to measure density (ρ), viscosity (η), and ultrasonic speed (u) at "303 K, 308 K, 313 K, 318 K, and 323 K." The experimental parameters are used to determine the acoustic parameters "adiabatic compressibility, Intermolecular free length, relaxation time, acoustic impedance, and Gibb's free energy". Method: To measure the density, viscosity, and ultrasonic velocity of the solution using a pycnome-ter, an Ostwald's viscometer, and an ultrasonic interferometer, and to calculate the thermo acoustical parameters based on the measured parameters. Result: Applications for examining the physico-chemical behaviour of aqueous dextran using ultra-sound include understanding the nature of molecular interactions. Conclusion: It was investigated how concentration and temperature affected the thermoacoustic char-acteristics of aqueous dextran. Hydrogen bonds, charge transfer complexes, and the dissolution of hy-drogen bonds and complexes are only a few examples of the forces that exist between molecules and how the analysis has interpreted their nature. Weak intermolecular forces exist. Other: Recent developments in ultrasonic techniques have made them an effective tool for evaluating information regarding the physical and chemical behaviour of liquid molecules.

Studying Different Thermodynamic Properties of Binary Liquid Mixture of Ethyl Acetate with 1-Alkanols at 303.15K

Abstract: Experimental values of ultrasonic velocity (u), density (ρ) and viscosity (η) for the binary mixtures of ethyl acetate with 1-alkanols have been measured at 303.15 K over the entire mole fraction range. Using these data, the excess isentropic compressibility (βES), excess intermolecular free length (LEF), excess molar volume (VEM), excess free volume (VEF) and excess available volume (VEa) have been calculated. These parameters were used to study the nature and extent of intermolecular interaction between component molecules present in the binary mixtures. Excess values of isentropic compressibility, intermolecular free length, molar volume, free volume and available volume were plotted against the mole fraction of ethyl acetate over the whole composition range. From the properties of these excess parameters, the nature and strength of the interactions in these binary systems are discussed.

Apparent molar volume, compressibility, and spectroscopic studies of ionic surfactants in aqueous solutions of antibiotic gemifloxacin

This work aims to explore the interactions between a wide-spectrum bactericidal drug, gemifloxacin (GMF), and micelles of cationic (dodecyltrimethylammonium bromide, DTAB) and anionic (sodium dodecyl sulfate, SDS) surfactants at the molecular level under physiological conditions (using a phosphate buffer, pH 7.4). Various physical parameters are calculated from volumetric and acoustic data. These include apparent molar volume ( ɸ V ), apparent molar isentropic compressibility ( ɸ K ), isentropic compressibility ( K s ), specific acoustic impedance (Z), relative association (RA), intermolecular free length (Lf ) and sound velocity number (U). The obtained quantities are interpreted regarding of solute-solute and solute-solvent interactions employing the cosphere overlap model and electrostriction effect. Further, normal and differential UV-visible spectroscopy is employed to predict GMF locus in ionic micelles and to find the binding constant (Kb ) and partition coefficient (Kc ) along with the corresponding free energy changes of GMF-ionic micelle systems. The results demonstrate that the binding and partitioning of GMF with SDS is more significant than DTAB.

Insights into the physicochemical properties of newly synthesized benzyl triethylammonium chloride-based deep eutectic solvents

In order to utilize deep eutectic solvents (DESs) as a replacement for conventional organic solvents for different applications, a detailed understanding of their physicochemical properties is extremely important. In this study, several novel DESs based on benzyl-triethylammonium chloride (BTEA) as a hydrogen bond acceptor (HBA) and acids/or alcohols as hydrogen bond donors (HBDs) have been synthesized. DESs have been thoroughly characterized and investigated for their physicochemical properties viz. thermal stability, glass transition temperature, viscosity (η), surface tension (γ), refractive index (nD), density (ρ), speed of sound (u), and conductivity (κ) in a temperature range of 293.15–343.15 K. The effect of temperature, type of HBDs, and alkyl chain length of HBDs of the DESs on the physicochemical properties are critically examined and discussed. Viscosity data are fitted to Vogel-Fulcher-Tamman (VFT) and Arrhenius models. A linear model was used to fit surface tension (γ), density, refractive index, and speed of sound data whereas conductivity data were fitted to a nonlinear equation. Primary data on physicochemical properties have been used to estimate the viscous flow parameters (activation entropy, activation enthalpy, and free energy of activation) and other derived parameters such as lattice energy, standard entropy, molar volume, intermolecular free length, and isentropic compressibility. A relationship between molar conductivity and dynamic viscosity has been established to evaluate the ionicity of the synthesized DESs. Insights into the structure–property correlations are discussed in detail.

A thermo-acoustic investigation of L-Histidine amino acid solvation in aqueous ionic salt solutions with the goal of healing Hypokalaemia

At two distinct temperatures, L-Histidine (C6H9N3O2) has been the subject of a thermodynamic investigation in an ionic salt (KCl & KI) solution (i.e., 283 & 293 K). C6H9N3O2 has been studied at various concentration ranges with ultrasonic velocities (U) and densities (ρ) of 0.1 mol-kg−1 in water and aqueous ionic salt solutions (KCl & KI) (i.e., 0.02 – 0.2 mol-kg−1). Ultrasonic velocity and density data have been used to derive a number of thermos-acoustical characteristics, including adiabatic compressibility, intermolecular free length, acoustic impedance, non-linearity parameter, isothermal compressibility, and surface tension. Using the Hartmann-Balizar method and considering its significance from the perspective of interaction in the liquid mixture ((C6H9N3O2) + H2O + KCl/KI), the thermodynamic and acoustical behavior of the non-linearity parameter has been explained in terms of concentration and thermal change in the system under investigation. This work gives foundational knowledge that is essential for understanding the interaction between ionic salt and C6H9N3O2. According to the results, all systems have a stronger link when the solute (H2O/KCl/KI) and solvent C6H9N3O2 are present at higher quantities.The current research offers a thorough understanding of the nature and kind of interactions existing in a solution of an ionic salt and C6H9N3O2, and it also demonstrates the tendency for structures to develop in solvents that are soluble in them. This kind of study looks at a solid foundation to comprehend how vital amino acids and ionic salts function in biochemical processes and how to comprehend a bio-physical characteristic to treat low potassium levels in the human body (i.e., Hypokalaemia) coz the order of intermolecular interaction between amino acid and ionic salt solutions found to be: (C6H9N3O2 + KI + H2O) > (C6H9N3O2 + KCl + H2O) > (C6H9N3O2 + H2O).

Molecular details of ovalbumin solvation by an aqueous solution of xylitol in different pH environment:Ultrasonic and molecular simulation studies

Artificial sweetener-protein interactions are playing a major role in enhancing the functional properties of protein-based food and pharmaceutical products. This article discusses the molecular details of ovalbumin (OA) solvation in an aqueous solution of xylitol (XY) in different pH environments. This task can be accomplished by both Ultrasonic and Molecular Simulation studies. In ultrasonic studies, density, ultrasound velocity, viscosity, and surface tension have been measured for OA in various pH of phosphate buffer with and without XY. Further, some of the calculated parameters such as adiabatic compressibility, intermolecular free length, free volume, etc have been worked out. From ultrasonic results, pH dependent preferential hydration of OA was noticed in the presence of XY in an aqueous environment. In Molecular Dynamics Simulation (MDS) studies, water and XY accumulation to OA surface for different pH models were analyzed. The different states of protonation of the OA surface promote two distinct effects on the solvent and cosolvent orientation.