Temperature dependent physicochemical investigations of some nucleic acid bases (uracil, thymine and adenine) in aqueous inositol solutions

Rajput, Poonam; Richu,; Sharma, Taniya; Kumar, Ashwani

doi:10.1016/j.molliq.2020.115210

Cited by 22 publications

(12 citation statements)

References 59 publications

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“…Similarly, experimental speed of sound data for aqueous solutions of solutes is compared to literature data ,, as shown in Figure S4, which shows that the current data agrees well with the literature across the entire range of solute concentration. The comparison plots for uracil and thymine show that the density data are consistent with the reported data . However, there are small variations in speed of sound data between the present and reported data .…”

Section: Resultssupporting

confidence: 88%

“…The comparison plots for uracil and thymine show that the density data are consistent with the reported data . However, there are small variations in speed of sound data between the present and reported data . The deviations in the values may be explained by differences in the concentration ranges, experimental variations, purity of materials, and solution preparation between the present and reported data …”

Section: Resultssupporting

confidence: 85%

“…However, there are small variations in speed of sound data between the present and reported data . The deviations in the values may be explained by differences in the concentration ranges, experimental variations, purity of materials, and solution preparation between the present and reported data Figures S5 and S6 show that the density and speed of sound measurements for Cfx in water are in congruence with the literature data …”

Section: Resultssupporting

confidence: 73%

“…The direct study of interactions between nucleic acids and other components is difficult because of their complicated conformational and configurational three-dimensional structures. The simpler model compounds for nucleic acids, such as nucleic acid bases/nucleosides, are key biologically active molecules and are useful for studying the solvation behavior in aqueous and mixed aqueous solutions. − The volumetric investigations of nucleic acid bases/nucleosides in the aqueous solutions of inositol by Rajput et al revealed that hydrophilic–hydrophilic interactions predominate in these systems. Kaur et al investigated the interactions between caffeine and nucleic acid bases/nucleosides and found that the interactions are exothermic in nature.…”

Section: Introductionmentioning

confidence: 99%

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Elucidation of Interactions between Ciprofloxacin Hydrochloride Monohydrate and Constituents of Nucleic Acids in Aqueous Solutions at Different Temperatures

et al. 2022

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The interaction of drugs with nucleic acids is one of the most essential parts of biological research in the drug discovery and pharmaceutical development processes. Furthermore, physicochemical studies of the solution behavior of such systems are extremely desirable for elucidating the various interactions in aqueous solutions. Therefore, in this context, measurements of the density (ρ), speed of sound (u), viscosity (η), and enthalpy of dilution (q) for uracil, thymine, uridine, and thymidine in water and in aqueous solutions of ciprofloxacin hydrochloride monohydrate (Cfx) at m B (molality of Cfx in water) = (5, 10, 15, 20, 25) mmol·kg–1 across the temperature range of T = (288.15 to 318.15) K and at p = 1 × 105 Pa have been performed. Furthermore, these data have been utilized to evaluate partial molar volumes, partial molar isentropic compressions, viscosity B coefficients, standard molar enthalpies of dilution, and their corresponding transfer parameters (Δtr V 2,Φ 0, Δtr K s,2,Φ 0, Δtr B, and ΔtrΔdil H°). These properties have been used to elucidate the presence of solute–solvent interactions. The solute–Cfx interactions are exothermic in nature, according to calorimetry studies. Furthermore, the UV–visible studies show that the interactions between the pyrimidine-based molecules and drug result in a shift in wavelength (λ) as well as a change in absorption.

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Section: Resultssupporting

confidence: 88%

Section: Resultssupporting

confidence: 85%

Section: Resultssupporting

confidence: 73%

Section: Introductionmentioning

confidence: 99%

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Elucidation of Interactions between Ciprofloxacin Hydrochloride Monohydrate and Constituents of Nucleic Acids in Aqueous Solutions at Different Temperatures

et al. 2022

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“…Consequently, these criteria cannot be taken as markers of structure-making/breaking trends despite their widespread use in the literature. Notably, despite the lack of an explicit link to any actual microstructural feature of the solutions under study, the structure-making/breaking criterion around the sign of (∂ B /∂ T ) P has been regularly used in combination with, or as a complement to, the isobaric expansivity-based criterion for the structure-making/breaking ability of infinitely dilute solutes, as attested by a representative sample of the relevant literature. − …”

Section: Fundamentalsmentioning

confidence: 99%

Can Jones–Dole’s B-Coefficient be a Consistent Structure-Making/Breaking Marker? Rigorous Molecular-Based Analysis and Critical Assessment of Its Marker Uniqueness

Chialvo

Crisalle

2021

J. Phys. Chem. B

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We analyzed the consistency, or lack thereof, of the conjectured connection between the sign of Jones−Dole's Bcoefficient, or its isobaric-temperature derivative, and the structure-making/breaking ability of a solute in a dilute solution. We sought to shed light on some crucial issues, including (i) whether Jones−Dole's B-coefficient contains any embedded microstructural information, (ii) whether we can either assign any definite foundation to the widely used assumption about the sign of the Bcoefficient and its structure-making/breaking trend or provide a rational justification for its use as a structure-making/breaking marker, and (iii) whether we actually need Jones−Dole's B-coefficient and its isobaric-temperature derivative as markers for the interpretation of structure-making/breaking trends. Thus, we first addressed the fundamental (statistical mechanical) microscopic to (thermodynamic) macroscopic foundations of a rigorous approach to the structure-making/breaking ability of a solute, regardless of the type of solvent or nature of the solute−solvent intermolecular interaction asymmetries, and its exact relationships to the resulting solution thermodynamics. Then, we derived the required conditions for the signs of the B-coefficient and/or its isobaric-temperature derivative to describe either a structure-making or a structure-breaking event, according to the actual solute-induced perturbation of the solvent microstructure, and consequently, tested the rationale underlying the B-based conjectured structure-making/breaking markers. Moreover, we invoked a well-known transition-state (TS) interpretation of the B-coefficient to connect it explicitly to the derived molecular-based structure-making/breaking signature and to find under which TS conditions the signs of the B-coefficient and its temperature derivative could describe the actual solute-induced perturbation of the solvent microstructure. We illustrated the actual structure-making/breaking behavior for a series of aqueous solutes over a wide range of solute−solvent intermolecular interaction asymmetries and compared their behavior against that predicted by Jones−Dole's based markers. This comparison, supported by rigorous thermodynamic arguments, highlighted the lack of uniqueness (or one-to-one correspondence) in the response of the B-based markers to the solute−solvent intermolecular interaction asymmetry, and therefore, their inadequacy as structure-making/breaking descriptors. Finally, we discuss the findings and provide a cautionary outlook on the use of the viscositybased structural markers.

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Studies on molecular interactions of l-histidine/l-serine in aqueous diphenhydramine hydrochloride solutions at various temperatures: Volumetric, ultrasonic and viscometric approach

Bandral

Richu

Majid

et al. 2022

The Journal of Chemical Thermodynamics

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Temperature dependent physicochemical investigations of some nucleic acid bases (uracil, thymine and adenine) in aqueous inositol solutions

Cited by 22 publications

References 59 publications

Elucidation of Interactions between Ciprofloxacin Hydrochloride Monohydrate and Constituents of Nucleic Acids in Aqueous Solutions at Different Temperatures

Elucidation of Interactions between Ciprofloxacin Hydrochloride Monohydrate and Constituents of Nucleic Acids in Aqueous Solutions at Different Temperatures

Can Jones–Dole’s B-Coefficient be a Consistent Structure-Making/Breaking Marker? Rigorous Molecular-Based Analysis and Critical Assessment of Its Marker Uniqueness

Studies on molecular interactions of l-histidine/l-serine in aqueous diphenhydramine hydrochloride solutions at various temperatures: Volumetric, ultrasonic and viscometric approach

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