Dataset Information

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics.

ABSTRACT: This study was aimed to find out the solubility, thermodynamic behavior, Hansen solubility parameters and molecular interactions of an antiviral drug emtricitabine (ECT) in various "[polyethylene glycol-400 (PEG-400) + water]" mixtures. The solubility of ECT in mole fraction was determined at "T = 298.2 to 318.2 K" and "p = 0.1 MPa" using an isothermal method. The experimental solubilities of ECT in mole fraction were validated and correlated using various computational models which includes "Van't Hoff, Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van't Hoff models". All the models performed well in terms of model correlation. The solubility of ECT was increased with the raise in temperature in all "PEG-400 + water" mixtures studied. The highest and lowest solubility values of ECT were found in pure PEG-400 (1.45 × 10-1) at "T = 318.2 K" and pure water (7.95 × 10-3) at "T = 298.2 K", respectively. The quantitative values of activity coefficients indicated higher interactions at molecular level in ECT and PEG-400 combination compared with ECT and water combination. "Apparent thermodynamic analysis" showed an "endothermic and entropy-driven dissolution" of ECT in all "PEG-400 + water" combinations studied. The solvation nature of ECT was found an "enthalpy-driven" in each "PEG-400 + water" mixture studied.

SUBMITTER: Shakeel F

PROVIDER: S-EPMC7181241 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Publications

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics.

Shakeel Faiyaz F Haq Nazrul N Alsarra Ibrahim A IA Alshehri Sultan S

Molecules (Basel, Switzerland) 20200328 7

This study was aimed to find out the solubility, thermodynamic behavior, Hansen solubility parameters and molecular interactions of an antiviral drug emtricitabine (ECT) in various "[polyethylene glycol-400 (PEG-400) + water]" mixtures. The solubility of ECT in mole fraction was determined at "<i>T</i> = 298.2 to 318.2 K" and "<i>p</i> = 0.1 MPa" using an isothermal method. The experimental solubilities of ECT in mole fraction were validated and correlated using various computational models whic ...[more]

PMID: 32231154

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Project description:BackgroundUniversal postoperative guidelines for cataract extraction surgery are yet to be introduced. Artificial tears are gaining popularity as an additional integral component of the postoperative regime. The primary objective of this study was to explore the impact of two prevalent artificial tear preparations on postoperative discomfort following cataract extraction surgery.MethodsA total of 180 patients that underwent cataract extraction surgery were randomly divided into three groups according to their postoperative regime: a) Study group 1 (SG1) received a fixed combination of tobramycin and dexamethasone (FCTD) quid for 3 weeks and, additionally polyethylene glycol 400/propylene glycol/hydroxypropyl-guar quid, for 6 weeks, b) Study group 2 (SG2) received FCTD quid for 3 weeks and, additionally 0.1% sodium hyaluronate provided in the COMOD® device quid, for 6 weeks, and, c) Control Group (CG) received only FCTD quid for 3 weeks. The following indexes were evaluated at three postoperative checkpoints: 1) Subjective discomfort index (SDI) derived from four direct 10-scale Likert-type questions that were addressed to the patient and pertained to: a) foreign body sensation (FBS), b) blinking discomfort (BD), c) stinging sensation (SS), d) tearing sensation (TS), 2) Tear break-up time (TBUT), 3) Central corneal thickness (CCT) and, 4) Central Corneal Sensitivity (CCS).ResultsBoth groups showed increased CCT values at the first examination point and reduced CCS values at all examination points. Furthermore, both SGs had better TBUT times at all examination points compared to CG (CG: 8.86 ± 1.08, SG1: 9.59 ± 1.45, CG2: 9.45 ± 1.33, p < 0.05). BD was significantly better in both SGs only at the 1st week of examination, while SDI values were better until the 3rd week and only borderline better at 6th week. Lastly, no significant differences were detected between SGs, regarding all parameters, at all examination points.ConclusionPolyethylene glycol 400/propylene glycol/hydroxypropyl-guar and 0.1% sodium hyaluronate provided in the COMOD® device seem to be equally efficient in alleviating OSD symptoms following cataract extraction surgery and any of them should be routinely added to the postoperative regime.Trial registrationClinicalTrials.gov Identifier: https://clinicaltrials.gov/ct2/show/NCT02558218NCT02558218.

Dataset Information

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics.

Publications

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics.

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