Solvation behaviour of some amino acids in aqueous solutions of an antibiotic drug streptomycin sulfate at different temperatures: Volumetric, acoustic and viscometric approach

Rani, Ruby; Kumar, Ashwani; Bamezai, Rajinder K.

doi:10.1016/j.molliq.2016.10.063

Cited by 29 publications

(8 citation statements)

References 40 publications

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“…On the contrary, the increasing trend in density with an increase in molality can be attributed to a greater mass of solution in comparison to the solvent. Figures and compare the literature and experimental values of density for ( l -serine + water) − and ( l -threonine + water), ,, respectively, signifying a good agreement between the reported and experimental values.…”

Section: Resultssupporting

confidence: 69%

“…The viscosity data for binary combination ( l -serine/ l -threonine + water) are accorded in Figures and , respectively. Experimental and literature values for l -serine ,, and l -threonine , are found to be in good agreement. The viscosity ratio, which provides relative viscosity (η r ) between the solution ( l -serine/ l -threonine + water + ionic liquid, η) and the solvent (ionic liquid + water, η 0 ), is computed using the Jones–Dole equation: η r = η η 0 = 1 + A C + B C Here, A, the Falkenhagen coefficient, represents the interactional force between solute–solute molecules. , The Jones–Dole viscosity coefficient B can be correlated with the shape and size of the solute and cosolute, i.e., it is determined by the interactions between l -serine/ l -threonine + water + IL.…”

Section: Resultssupporting

confidence: 60%

“…Comparison of experimental density with the available literature data of aqueous l -threonine solution at T/ K = red ■: 293.15, red ●: 298.15, red ▲: 303.15, red ▼: 308.15, red ◆: 313.15; pink ●: 298.15, pink ▼: 308.15; black ▲: 303.15, black ▼: 308.15, black ◆: 313.15; green ■: 293.15, green ●: 298.15, green ▲: 303.15, green ▼: 308.15, green ◆: 313.15. Captions to the colors: red: present work; pink: ref ; black: ref ; green: ref .…”

Section: Resultsmentioning

confidence: 99%

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Experimental and Preliminary Computational Assessment of Thermodynamic Properties of l-Serine and l-Threonine in (Water + 1-Butyl-3-methylimidazolium Bromide) Solutions at Various Temperatures

Kumar,

Sharma,

Shah

et al. 2023

J. Chem. Eng. Data

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The thermodynamic behavior of L-serine and Lthreonine in water and in an ionic liquid, 1-butyl-3-methylimidazolium bromide, containing water is examined using experimental data from acoustic, volumetric, and viscometric studies at T = (293.15 to 313.15) K and an experimental pressure of 101.3 kPa. The limiting apparent molar volume, V 0 ϕ , and limiting apparent molar isentropic compressibility, K 0 ϕ , s , are calculated from apparent molar parameters (volume, V ϕ , and isentropic compressibility, K ϕ , s ), respectively. The empirical parameters, S v and S k , are also computed. The experimental and computed data are utilized to evaluate the transfer properties (Δ tr V 0 ϕ and Δ tr K 0 ϕ , s ) of the chosen amino acids from water to the aqueous solutions of ionic liquid. The transfer property for these amino acids is positive at all concentrations of ionic liquids and all temperatures. This has been explained based on the cosphere overlap model. The viscosity B coefficients are evaluated from viscosity using the Jones−Dole equation. In ternary solutions (L-serine/L-threonine + water + ionic liquid), the thermodynamic properties are utilized to understand the mixing effects in aqueous solutions and to gather essential information about proximities and intermolecular interactions. The density functional theory is also used to validate the experimental results. The absorption spectra of amino acids in water as well as ionic liquids containing water are recorded to affirm the interactions prevailing in the system.

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Section: Resultssupporting

confidence: 69%

Section: Resultssupporting

confidence: 60%

Section: Resultsmentioning

confidence: 99%

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Experimental and Preliminary Computational Assessment of Thermodynamic Properties of l-Serine and l-Threonine in (Water + 1-Butyl-3-methylimidazolium Bromide) Solutions at Various Temperatures

Kumar,

Sharma,

Shah

et al. 2023

J. Chem. Eng. Data

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“…In general, the amino acids in the complex that tend to form alpha helices and turns are more likely to interact with drugs. The proportion of large-volume amino acids (56%) is slightly more than that of the small-volume amino acids (44%) ( Rani et al, 2016 ). Drugs are more likely to bind to larger amino acids, which indicates that sites with larger surface areas are more likely to interact with drugs.…”

Section: Resultsmentioning

confidence: 99%

Prediction of DNA-Binding Protein–Drug-Binding Sites Using Residue Interaction Networks and Sequence Feature

Wang

Liu

Zhang

et al. 2022

Front. Bioeng. Biotechnol.

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Identification of protein–ligand binding sites plays a critical role in drug discovery. However, there is still a lack of targeted drug prediction for DNA-binding proteins. This study aims at the binding sites of DNA-binding proteins and drugs, by mining the residue interaction network features, which can describe the local and global structure of amino acids, combined with sequence feature. The predictor of DNA-binding protein–drug-binding sites is built by employing the Extreme Gradient Boosting (XGBoost) model with random under-sampling. We found that the residue interaction network features can better characterize DNA-binding proteins, and the binding sites with high betweenness value and high closeness value are more likely to interact with drugs. The model shows that the residue interaction network features can be used as an important quantitative indicator of drug-binding sites, and this method achieves high predictive performance for the binding sites of DNA-binding protein–drug. This study will help in drug discovery research for DNA-binding proteins.

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“…In the present work, the positive values of E ϕ ° are because of the process of packing or caging effect. Furthermore, the positive values indicate interactions between solutes and solvents. − …”

Section: Resultsmentioning

confidence: 99%

Interaction Behavior of N-Lauroyl Sarcosine Sodium Salt (NLSS) and Benzethonium Chloride (BC) in Aqueous Human Serum Albumin (HSA) at Different Temperatures: A Volumetric and Acoustic Study

et al. 2022

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Density and speed of sound values of N-lauroyl sarcosine sodium salt (NLSS) and benzethonium chloride (BC) in mixed aqueous mixtures of human serum albumin (HSA) at three equidistant temperatures (298.15, 308.15, and 318.15 K) have been measured. Using density and speed of sound data, various thermodynamic and acoustic parameters like apparent molar volumes (V ϕ), partial molar volumes (V ϕ °), partial molar volumes of transfer (Δtr V ϕ °), dependence of partial molar volume on temperature, Helper’s constant, apparent molar isentropic compressibility (K ϕ,S), partial molar isentropic compressibility (K ϕ,S °), partial molar isentropic compressibility of transfer (Δtr K ϕ,S °), hydration number, and pair–triplet interaction coefficients have been determined. The cosphere overlap model was used to analyze several kinds of molecular interactions present in the studied systems, and it was found that two types of interactions were present in the studied system, i.e., ion–hydrophilic and hydrophilic–hydrophilic interactions. Negative values of Helper’s constant revealed that both NLSS and BC behave as structure breakers.

show abstract

Solvation behaviour of some amino acids in aqueous solutions of an antibiotic drug streptomycin sulfate at different temperatures: Volumetric, acoustic and viscometric approach

Cited by 29 publications

References 40 publications

Experimental and Preliminary Computational Assessment of Thermodynamic Properties of l-Serine and l-Threonine in (Water + 1-Butyl-3-methylimidazolium Bromide) Solutions at Various Temperatures

Experimental and Preliminary Computational Assessment of Thermodynamic Properties of l-Serine and l-Threonine in (Water + 1-Butyl-3-methylimidazolium Bromide) Solutions at Various Temperatures

Prediction of DNA-Binding Protein–Drug-Binding Sites Using Residue Interaction Networks and Sequence Feature

Interaction Behavior of N-Lauroyl Sarcosine Sodium Salt (NLSS) and Benzethonium Chloride (BC) in Aqueous Human Serum Albumin (HSA) at Different Temperatures: A Volumetric and Acoustic Study

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