Densities, ultrasonic speeds, refractive indices, and COSMO analysis for binary mixtures of dichloromethane with acetone and dimethylsulfoxide at <i>T</i> = (298.15, 303.15, and 308.15) K

Nabi, Arshid; Zain, Sharifuddin Bin Md; Jesudason, Christopher G.

doi:10.1080/00986445.2017.1403908

Cited by 11 publications

(2 citation statements)

References 45 publications

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“…It enables the computation of interaction energy among solvent and solute from the surface charge density (σ). The σ-profile allows in-depth data on molecular polarity and is regarded as a fingerprint of the molecule . The σ-profile of DESs encompassing ChCl, Gro, and NAR was calculated using COSMOS-RS software.…”

Section: Methodsmentioning

confidence: 99%

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Tailoring Deep Eutectic Solvents to Provoke Solubility and Bioavailability of Naringin: Implications of a Computational Approach

et al. 2023

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Recently, the applications of deep eutectic solvents (DESs) as green and sustainable solvents for the solubilization of functional foods and phytophenols have dramatically risen concerning global issues on the utilization of organic solvents. Nevertheless, developing a suitable DES system for phytocomponents to enhance its solubility and bioavailability is complex and requires a sound experimental setup. Herein, we have attempted to develop DES encompassing the choline chloride (ChCl) along with oxalic acid (OA), l-glutamine (l-Glu), urea (U), and glycerol (Gro) at different ratios to elicit the solubility and bioavailability of naringin (NAR). Several DES systems were designed and tested for solubility, kinematic viscosity, and pH. Among these, DES-NAR encompassing ChCl/Gro in a 1:3 ratio exhibited the maximum solubility of NAR (232.56 ± 7.1 mg/mL) and neutral characteristic and thus considered suitable for NAR. Further, the conductor-like screening model for real solvents (COSMO-RS) has been employed to estimate the molecular and electrostatic interactions. DES-NAR was evaluated by polarized optical microscopy, Fourier-transform infrared (FTIR), differential scanning calorimetry (DSC), and 1H NMR to investigate the molecular transition and interaction. Further, diffusion and permeability studies were performed, which suggest significant improvements in DES-NAR. Likewise, the pharmacokinetic studies revealed a two times increase in the oral bioavailability of NAR in a designed DES system. Thus, the work represents a systematic and efficient development of the DES system for a potential phytocomponent considering the biosafety impact, which may widen the interest in pharmaceutical and food sciences.

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Section: Methodsmentioning

confidence: 99%

“…The σ-profile allows in-depth data on molecular polarity and is regarded as a fingerprint of the molecule. 34 The σ-profile of DESs encompassing ChCl, Gro, and NAR was calculated using COSMOS-RS software.…”

Section: Methodsmentioning

confidence: 99%