Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes (open access)

Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes

This article discusses single-electron oxidation of monomeric copper(I) alkyl complexes.
Date: July 21, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
Object Type: Article
System: The UNT Digital Library

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1-C10

This article updates a compendium of phase change enthalpies published in 2010 to include the period 1880-2015.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Object Type: Article
System: The UNT Digital Library
Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880-2002 (open access)

Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880-2002

Article on enthalpies of vaporization of organic and organometallic compounds, 1880-2002.
Date: April 21, 2003
Creator: Chickos, James S. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors (open access)

Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors

Article describes study demonstrating that solute hydrogen bond acidity, solute hydrogen bond basicity and solute volume all lower the diffusion constants of ions and nonelectrolytes in the various solvents studied.
Date: May 21, 2019
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials (open access)

Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).
Date: September 21, 2011
Creator: Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Commentary on “Studies on Molar Volume, Dielectric Properties and Refractive Indices of Cyanex 923 + Benzene/Xylene at 300 K” (open access)

Commentary on “Studies on Molar Volume, Dielectric Properties and Refractive Indices of Cyanex 923 + Benzene/Xylene at 300 K”

This article provides a commentary on Redlich-Kister equation coefficients for binary benzene + cyanex 923 and xylene + cyanex 923.
Date: June 21, 2017
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO) (open access)

Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO)

Article discussing four-coordinate Mo(II) as (silox)₂Mo(PMe₃)₂ and its W(IV) Congener (silox)₂HW(ɳ²-CH₂PMe₂)(PMe₃) (silox = ᵗBu₃SiO).
Date: October 21, 2008
Creator: Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Solubility of Phenanthrene in Ternary Mixtures of C1-C4 Alcohols at 298.2 K (open access)

Solubility of Phenanthrene in Ternary Mixtures of C1-C4 Alcohols at 298.2 K

This article discusses the solubility of phenanthrene in ternary mixtures of C1-C4 alcohols at 298.2 K.
Date: May 21, 2010
Creator: Fakhree, Mohammad Amin Abolghassemi; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model (open access)

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
Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-Grasp Enzymes (open access)

Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-Grasp Enzymes

Article examining the mechanism of Glutathione synthetase, an enzyme that belongs to the glutathione synthetase ATP-binding domain-like superfamily. A variety of structural alignment methods were applied and four highly conserved residues of human glutathione synthetase (Glu-144, Asn-146, Lys-305, and Lys-364) were identified in the binding site. The function of these was studied by experimental and computational site-directed mutagenesis.
Date: May 21, 2004
Creator: Dinescu, Adriana; Cundari, Thomas R., 1964-; Bhansali, Vikas S.; Luo, Jia-Li & Anderson, Mary E.
Object Type: Article
System: The UNT Digital Library

Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents

This article calculates Abraham model solute descriptors for 5-nitro-8-hydroxyquinoline, 2-methyl-6-nitroaniline, and terephthaldialdehyde using experimental solubility data taken from papers published in The Journal of Chemical Thermodynamics in 2016.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
An investigation of the reaction of CH₃S with CO (open access)

An investigation of the reaction of CH₃S with CO

Article on an investigation of the reaction of CH₃S with CO.
Date: May 21, 2004
Creator: Koch, L. C.; Marshall, Paul & Ravishankara, A. R.
Object Type: Article
System: The UNT Digital Library
Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K (open access)

Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K

Article on rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K.
Date: September 21, 2001
Creator: Yamada, Takahiro; Siraj, Mohammad Masud, 1972-; Taylor, Philip H.; Peng, Jingping; Hu, Xiaohua & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Py and BPe Solvent Polarity Scales: Effect of Temperature on Pyrene and Benzo[ghi]perylene Fluorescence Spectra (open access)

Py and BPe Solvent Polarity Scales: Effect of Temperature on Pyrene and Benzo[ghi]perylene Fluorescence Spectra

Article discussing Py and BPe solvent polarity scales and the effect of temperature on pyrene and benzo[ghi]perylene fluorescence spectra.
Date: April 21, 1988
Creator: Waris, Riaz; Acree, William E. (William Eugene) & Street, Kenneth W.
Object Type: Article
System: The UNT Digital Library
Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels (open access)

Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels

Article on fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels.
Date: March 21, 2012
Creator: Lucassen, Arnas; Warkentin, Julia; Moshammer, Kai; Glarborg, Peter; Marshall, Paul & Kohse-Höinghaus, Katharina
Object Type: Article
System: The UNT Digital Library
Crystal structure of (3E,5E)-3,5-bis­[4-(di­ethyl­aza­nium­yl)benzyl­idene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material (open access)

Crystal structure of (3E,5E)-3,5-bis­[4-(di­ethyl­aza­nium­yl)benzyl­idene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material

Article provides a detailed description of the crystal structure of (3E,5E)-3,5-bis­­[4-(di­ethyl­aza­nium­yl)benzyl­­idene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate
Date: November 21, 2015
Creator: Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
Object Type: Article
System: The UNT Digital Library
A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K (open access)

A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K

Article discussing a group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K.
Date: June 21, 2013
Creator: Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh
Object Type: Article
System: The UNT Digital Library
Spatially confined protein assembly in hierarchical mesoporous metal-organic framework (open access)

Spatially confined protein assembly in hierarchical mesoporous metal-organic framework

Article discusses how the immobilization of biomolecules into porous materials could lead to significantly enhanced performance in terms of stability towards harsh reaction conditions and easier separation for their reuse. To gain insights into the spatial arrangement of biomolecules within the nanopores, the authors used in situ small-angle neutron scattering (SANS) to probe deuterated green fluorescent protein (d-GFP) entrapped in a mesoporous MOF.
Date: February 21, 2023
Creator: Wang, Xiaoliang; He, Lilin; Sumner, Jacob; Qian, Shuo; Zhang, Qiu; O'Neill, Hugh et al.
Object Type: Article
System: The UNT Digital Library
A Europium-Based Optical Sensor for the Detection of Carbon Dioxide and Its Application for a Fermentation Reaction (open access)

A Europium-Based Optical Sensor for the Detection of Carbon Dioxide and Its Application for a Fermentation Reaction

Article discusses a new europium-based complex, K[Eu(hfa)4] with hfa = hexafluoroacetylacetonate is synthesized and its structure confirmed via X-ray crystallography. Based on the data collected, a highly stable, brightly red-emissive Eu(III) complex with the ability to differentiate concentrations of CO2 in solution is hereby developed and characterized with benefits for various CO2 sensing applications.
Date: December 21, 2022
Creator: Benton, Erin N.; Rajitha Perera, Nawagamu A. K.; Nesterov, Vladimir N.; Perera, Wijayantha; Omary, Mohammad A. & Marpu, Sreekar
Object Type: Article
System: The UNT Digital Library
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach (open access)

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Article on dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.
Date: August 5, 2013
Creator: Calzolari, Arrigo & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Descriptors for Cyclooctasulfur: Estimation of Water−Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties (open access)

Descriptors for Cyclooctasulfur: Estimation of Water−Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties

This article uses literature data on the solubility of cyclooctasulfur in a number of solvents to drive Abraham descriptors for cyclooctasulfur.
Date: May 21, 2018
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Formal oxo- and aza-[3 + 2] reactions of α-enaminones and quinones: a double divergent process and the roles of chiral phosphoric acid and molecular sieves (open access)

Formal oxo- and aza-[3 + 2] reactions of α-enaminones and quinones: a double divergent process and the roles of chiral phosphoric acid and molecular sieves

Article develops a double divergent process for the reaction of α-enaminones with quinones through facile manipulation of catalyst and additive, leading to structurally completely different products.
Date: September 21, 2020
Creator: Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R., 1964- & Wang, Hong
Object Type: Article
System: The UNT Digital Library
Kinetic studies of the reaction NH₂ + H₂S (open access)

Kinetic studies of the reaction NH₂ + H₂S

Article on kinetic studies of the reaction NH2 + H2S.
Date: January 21, 2014
Creator: Gao, Yide & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions (open access)

Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions

Article discussing research on arylpalladium phosphonate complexes as reactive intermediates in phosphorus-carbon bond forming reactions.
Date: January 21, 2009
Creator: Kohler, Mark C.; Grimes, Thomas V.; Wang, Xiaoping; Cundari, Thomas R., 1964- & Stockland, Robert A., Jr.
Object Type: Article
System: The UNT Digital Library