Search Results - "Acree, William E"

Comments Regarding “Solubility determination and thermodynamic model analysis of L-α-glyceryl phosphorylcholine in different organic solvents of 278.15–323.15 K” by Chen, Audrey, Chen, Jocelyn, Acree, William E.

“…A polemic is given regarding several of the calculated curve-fit parameters that Zhou and coworkers reported in their published paper. The calculated curve-fit…”
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Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K by Naef, Rudolf, Acree, Jr, William E

“…The calculation of the vapour pressure of organic molecules at 298.15 K is presented using a commonly applicable computer algorithm based on the…”
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Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals by Naef, Rudolf, Acree, William E

“…The calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules is presented using a common computer algorithm on…”
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Pharmaceuticals Solubility is Still Nowadays Widely Studied Everywhere by Martínez, Fleming, Jouyban, Abolghasem, Acree Jr, William E.

“…[...]it is generally observed that the more soluble drugs also exhibit higher dissolution rates in the respective solvents.3 In this way, the experimental…”
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Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules by Naef, Rudolf, Acree, William E.

“…The calculation of the heats of combustion ΔH°c and formation ΔH°f of organic molecules at standard conditions is presented using a commonly applicable…”
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Prediction of solubility of drugs and other compounds in organic solvents by Abraham, Michael H, Smith, Robert E, Luchtefeld, Ron, Boorem, Aaron J, Luo, Rensheng, Acree, Jr, William E

“…We have set out a procedure for the prediction of solubilities of drugs and other compounds in a wide range of solvents, based on the Abraham solvation…”
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Solubility Prediction of Drugs in Binary Solvent Mixtures at Various Temperatures Using a Minimum Number of Experimental Data Points by Dadmand, Sina, Kamari, Farzin, Acree, William E., Jouyban, Abolghasem

“…This study aimed to provide a rational experimental design to collect a minimum number of experimental data points for a drug dissolved in a given binary…”
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An NMR Method for the Quantitative Assessment of Intramolecular Hydrogen Bonding; Application to Physicochemical, Environmental, and Biochemical Properties by Abraham, Michael H, Abraham, Raymond J, Acree, William E, Aliev, Abil E, Leo, Al J, Whaley, William L

“…1H NMR chemical shifts have been obtained in the solvents deuterochloroform and dimethyl sulfoxide. The difference in the chemical shifts of an OH or NH group…”
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Equations for the Transfer of Neutral Molecules and Ionic Species from Water to Organic phases by Abraham, Michael H, Acree, William E

“…Equations that can be used for partition coefficients of both neutral molecules and ions have been revised, and the term that is specific to ions has been…”
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Drug Solubility Correlation Using the Jouyban-Acree Model: Effects of Concentration Units and Error Criteria by Rahimpour, Elaheh, Alvani-Alamdari, Sima, Acree, Jr, William E, Jouyban, Abolghasem

“…An important factor affecting the model accuracy is the unit expression type for solute and solvent concentrations. One can report the solute and solvent…”
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Descriptors for ions and ion-pairs for use in linear free energy relationships by Abraham, Michael H., Acree, William E.

“…•Descriptors for ions, ionic-species and ion-pairs have been determined.•LFERS can be set up that include neutral molecules, ions and ionic-species.•These…”
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Machine Learning Quantitative Structure-Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons by Toots, Karl Marti, Sild, Sulev, Leis, Jaan, Acree, Jr, William E, Maran, Uko

“…Ionic liquids (ILs) are known for their unique characteristics as solvents and electrolytes. Therefore, new ILs are being developed and adapted as innovative…”
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Comments on "Solubility measurement, thermodynamic modeling and solubility parameters of clarithromycin (Form ӀӀ) in aqueous ethanolic solution" by Motati, Ramya, Kandi, Trisha, Acree, William E.

“…Published numerical values of the curve-fit equation coefficients of the van't Hoff model do not describe the observed mole fraction solubility data…”
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Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties by Liu, Xiangli, Abraham, Michael H., Acree, William E.

“…Literature solubilities have been used to obtain properties or descriptors of melatonin. These indicate the chemical nature of melatonin: it is dipolar and has…”
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Solution thermodynamics and preferential solvation of sulfamethazine in (methanol+water) mixtures by Delgado, Daniel R., Almanza, Ovidio A., Martínez, Fleming, Peña, María A., Jouyban, Abolghasem, Acree, William E.

“…[Display omitted] •Solubility of sulfamethazine (SMT) was measured in (methanol+water) mixtures.•SMT solubility was correlated with Jouyban–Acree model.•Gibbs…”
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Descriptors for some compounds with pharmacological activity; calculation of properties by Liu, Xiangli, Acree, William E., Abraham, Michael H.

“…[Display omitted] •Blood-to-tissue partition coefficients predicted for important pharmaceutical compounds.•Solute descriptors calculated for important…”
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Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution by Naef, Rudolf, Acree, William E

“…The application of a commonly used computer algorithm based on the group-additivity method for the calculation of the liquid viscosity coefficient at 293.15 K…”
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Comments on “An Overview of Molecular Interaction Studies of Binary/Ternary Liquid Mixtures with R4NI Salts Using Ultrasonic Velocity, Transport, Apparent Molar Volume, and Dielectric Constant Properties” by Acree, William E.

“…A polemic is given regarding the apparent molar volumes used in examining the molecular interactions between the dissolved tetraalkylammonium iodide, R 4 NI,…”
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Quantitative structure–activity relationship prediction of blood-to-brain partitioning behavior using support vector machine by Golmohammadi, Hassan, Dashtbozorgi, Zahra, Acree, William E.

“…In the present study a quantitative structure–activity relationship (QSAR) technique was developed to investigate the blood-to-brain barrier partitioning…”
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Abraham model linear free energy relationships for describing the partitioning and solubility behavior of nonelectrolyte organic solutes dissolved in pyridine at 298.15 K by Sedov, Igor A., Salikov, Timur, Hart, Erin, Higgins, Elizabeth, Acree, William E., Abraham, Michael H.

“…A headspace gas chromatographic method is used to measure infinite dilution activity coefficients of 20 liquid organic solutes dissolved in pyridine at…”
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