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Response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients"
This article is a response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients," published in New Journal of Chemistry, 2013.
Date:
February 1, 2013
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solvation Descriptors for Zwitterionic α-Aminoacids; Estimation of Water–Solvent Partition Coefficients, Solubilities, and Hydrogen-Bond Acidity and Hydrogen-Bond Basicity
This article uses the literature data on solubilities and water–solvent partition coefficients to obtain properties or “Absolv descriptors” for zwitterionic α-aminoacids: glycine, α-alanine (α-aminopropanoic acid), α-aminobutanoic acid, norvaline (α-aminopentanoic acid), norleucine (α-aminohexanoic acid), valine (α-amino-3-methylbutanoic acid), leucine (α-amino-4-methylpentanoic acid), and α-phenylalanine.
Date:
February 8, 2019
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether
This article sets out an equation for partition of 87 neutral molecules from water to o-nitrophenyl octyl ether, NPOE, an equation for partition of the 87 neutral molecules and 21 ionic species from water to NPOE, and an equation for partition of 87 neutral molecules from the gas phase to NPOE.
Date:
February 16, 2018
Creator:
Abraham, M. H. (Michael H.); Acree, William E. (William Eugene) & Liu, Xiangli
Object Type:
Article
System:
The UNT Digital Library
Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements
This article discusses the determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements.
Date:
February 2013
Creator:
Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Gil-Lostes, Javier; Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
Object Type:
Article
System:
The UNT Digital Library
Commentary on "Effect of β-alanine and the solvent composition on the solubility of solvate of calcium D-pantothenate containing four molecules of methanol and one molecule of water (D-PC·4MeOH·1H₂O)"
This article points out problems associated with two of the mathematical treatments used by authors Han et al. (2017) for the solubility behavior of calcium D-panthenate solvate as the mole fraction concentration β-alanine approaches zero.
Date:
February 7, 2017
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Commentary on "Thermodynamic equilibrium of hydroxyacetic acid in pure and binary solvent systems"
This article discusses published mathematical representations by Huant et al. (2017) for describing how the measured mole fraction solubility varies with solvent composition in the binary (ethanol + ethyl acetate) and binary (acetone + ethanol) solvent systems.
Date:
February 2, 2017
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comments Concerning “Measurement of the Solubility of the Salt of 2-Mercaptobenzothiazole With Cyclohexylamine and Tert-Butylamine in Various Solvents at Low Temperatures: Models and Thermodynamic Parameters”
This article identifies several errors in the published paper by Wongkaew and coworkers [Fluid Phase Equilibria 434 (2017) 141-151].
Date:
February 15, 2018
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comments Concerning “Solubility and Dissolution Thermodynamic Properties of 1,6-Bis[3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl) Propionamido]Hexane in Pure Solvents and Binary Solvent Mixtures”
This article comments on mathematical errors pertaining to published equation coefficients for the modified Apelblat and for the polynomial equation based on the Combined Jouyban-Acree and modified Apelblat models.
Date:
February 16, 2018
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comments on “Thermodynamic modeling studies of aqueous solubility of caffeine, gallic acid and their cocrystal in the temperature range of 303 Ke363 K”
This article comments on activity coefficients based on a thermodynamic relationship that failed to properly take into account the solid phase transition that both caffeine and gallic acid exhibited prior to melting.
Date:
February 8, 2018
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures
Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures.
Date:
February 28, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures
Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures.
Date:
February 28, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 6. Solubilities of Iodine and Benzil in Systems of Nonspecific Interactions
Article on thermochemical investigations of nearly ideal binary solvents and the solubilities of iodine and benzil in systems of nonspecific interactions.
Date:
February 1, 1983
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Solubility in Binary Solvent Systems 1: Specific versus Nonspecific Interactions
Article on the solubility in binary solvent systems I and the specific versus nonspecific interactions.
Date:
February 1, 1982
Creator:
Acree, William E. (William Eugene) & Rytting, J. Howard
Object Type:
Article
System:
The UNT Digital Library
Comments Concerning "Study of Molecular Interaction in Binary Liquid Mixtures of Ethyl Acetoacetate with Chloroform and Dimethylsulphoxide using Excess Acoustic Parameters and Spectroscopic Methods
Article commenting on a previously published article, "Study of molecular interaction in binary liquid mixtures of ethyl acetoacetate with chloroform and dimethylsulphoxide using excess acoustic parameters and spectroscopic methods."
Date:
February 18, 2014
Creator:
Acree, William E. (William Eugene) & Stephens, Timothy W.
Object Type:
Article
System:
The UNT Digital Library
Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients
Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Date:
February 10, 2012
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model
This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.
Date:
February 10, 2012
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model
Book chapter on the selection of ionic liquid solvents for chemical separations based on the Abraham model.
Date:
February 21, 2011
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅
Article on studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅.
Date:
February 7, 2007
Creator:
Alecu, I. M.; Gao, Yide; Hsieh, P-C; Sand, Jordan P.; Ors, Ahmet; McLeod, A. et al.
Object Type:
Article
System:
The UNT Digital Library
Bifunctional activation of methane by bioinspired transition metal complexes. A simple methane protease model
Article modeling Metal-based bifunctional methane activators using density functional theory. The research yields insight into possible avenues for bio-inspired methane activators.
Date:
February 15, 2021
Creator:
Anderson, Mary E.; Marks, Michael B. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Promoting bioanalytical concepts in genetics: A TATA box molecularly imprinted polymer as a small isolated fragment of the DNA damage repairing system
Article describes study which demonstrates that a new, stable, artificial TATA (T — thymine, A — adenine) box is recognized by amino acids recognizing the natural TATA box.
Date:
February 13, 2019
Creator:
Bartold, Katarzyna; Pietrzyk-Le, Agnieszka; Lisowski, Wojciech; Golebiewska, Karolina; Siklitskaya, Alexandra; Borowicz, Pawel et al.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary 2,2,4-Trimethylpentane + Propanol + 1-Pentanol and 2,2,4-Trimethylpentane + Butanol + 1-Pentanol Mixtures
Article on the solubility of anthracene in ternary 2,2,4-trimethylpentane + propanol + 1-pentanol and 2,2,4-trimethylpentane + butanol + 1-pentanol mixtures.
Date:
February 29, 2008
Creator:
Blake-Taylor, Brooke H.; Martine, Beth A. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Anion-enhanced excited state charge separation in a spiro-locked N-heterocycle-fused push-pull zinc porphyrin
This article presents a new type of push–pull charge transfer complex, viz., a spiro-locked N-heterocycle-fused zinc porphyrin, ZnP-SQ, that is shown to undergo excited state charge separation, which is enhanced by axial F⁻ binding to the Zn center. Spectroelectrochemical studies are used to identify the spectra of charge separated states and charge separation upon photoexcitation of ZnP is established.
Date:
February 24, 2021
Creator:
Chahal, Mandeep K.; Liyanage, Anudradha; Alsaleh, Ajyal Z.; Karr, P. A.; Hill, Jonathan P. & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Kinetic fall-off behavior for the Cl + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction
Article discusses how rate coefficients, k, for the gas-phase Cl + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction were measured over the 15–500 torr (He and N2 bath gas) pressure range at temperatures between 283 and 323 K. An atmospheric degradation mechanism for C4H2O3 is proposed based on the observed product yields and theoretical calculations of ring-opening pathways and activation barrier energies at the CBS-QB3 level of theory. This is the accepted manuscript version of the published article.
Date:
February 15, 2021
Creator:
Chattopadhyay, Aparajeo; Gierczak, Tomasz; Marshall, Paul; Papadimitriou, Vassileios C. & Burkholder, James B. (James Bart), 1954-
Object Type:
Article
System:
The UNT Digital Library
Tuning excited state electronic structure and charge transport in covalent organic frameworks for enhanced photocatalytic performance
Article describes how covalent organic frameworks (COFs) represent an emerging class of organic photocatalysts. The authors use reticular chemistry to construct a family of isoreticular crystalline hydrazide-based COF photocatalysts, with the optoelectronic properties and local pore characteristics of the COFs modulated using different linkers.
Date:
February 27, 2023
Creator:
Chen, Zhongshan; Wang, Jingyi; Hao, Mengjie; Xie, Yinghui; Liu, Xiaolu; Waterhouse, Geoffrey I. N. et al.
Object Type:
Article
System:
The UNT Digital Library