UNT Scholarly Works - Browse

ABOUT BROWSE FEED
Comment on "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed sovlents at temperatures from 293.15 to 333.15 K"
This article provides comments on the article "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K" published in the Journal of Chemical and Engineering Data in 2016.
Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation
This article discusses the use of neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N₂, O₂, and CO₂.
Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 2. C11-C192.
This article updates the second part of a compendium of phase change enthalpies published in 2010 to include the period 1880-2015.
Redox non-innoence permits catalytic nitrene carbonylation by (dadi)Ti=NAd (Ad = adamantyl)
This article describes (dadi)Ti(X/L) species that manifest redox non-innocence (RNI), including a rare instance in which carbon monoxide does not affect redox activity at the metal, and does not bind, thus permitting its use as a substrate in catalysis.
Pharmaceuticals Solubility is Still Nowadays Widely Studied Everywhere
This editorial discusses the importance of equilibrium solubility in pharmaceutical areas.
The Mechanisms and Biomedical Applications of an NIR BODIPY-Based Switchable Fluorescent Probe
This article investigates the switching mechanism of a recently reported near-infrared environment-sensitive fluorophore, ADP(CA)₂.
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.
A Dual-Modality System for Both Multi-Color Ultrasound-Switchable Fluorescence and Ultrasound Imaging
This article discusses the development of a dual-modality imaging system by combining recently developed ultrasound-switchable fluorescence (USF) imaging technology with the conventional ultrasound (US) B-mode imaging.
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.
Commentary on "Solubility and solution thermodynamics of cetilistat in water and (acetone, isopropyl alcohol, acetonitrile) binary solvent mixtures"
This article reanalyzes experimental solubility data reported in the recent paper "Solubility and solution thermodynamics of cetilistat in water and (acetone, isopropyl alcohol, acetonitrile) binary solvent mixtures" in the Journal of Molecular Liquids.
Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.
Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: prediction and analysis of intermolecular interaction contributions
This article studies thermochemistry of solvation of inert gases and organic solutes in ethylene glycol was thoroughly studied using solution calorimetry technique.
Commentary on "Measurement and Correlation of the Solubility of Telmisartan (Form A) in Nine Different Solvents from 277.85 to 338.35 K"
This article presents the correct computation methodology for determining solute descriptors from experimental solubility data.
Importance of the Hydrogen Isocyanide Isomer in Modeling Hydrogen Cyanide Oxidation in Combustion
This article re-examines the chemistry of hydrogen isocyanide (HNC) and its role in combustion nitrogen chemistry.
Further Numerical Analyses on the Solubility of Sulfapyridine in Ethanol + Water Mixtures
This article aims to correlate the solubility of sulfapyridine and sulfadiazine in ethanol + water mixtures by means of the Jouyban-Acree model, and to evaluate the preferential solvation of sulfapyridine in these mixtures by using the inverse Kirkwood-Buff integrals.
Using Paired Depth Interviews to Collect Qualitative Data
This article defines and describes paired depth interviews, discusses conceptualizations of paired depth interviews using Roulston's framework, delineates the strengths and limitations of paired depth interviews, and provides examples of paired depth interviews utilized in helping professions.
Relative Rate and Product Studies of the Reactions of Atomic Chlorine with Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and Hexafluoro-1,3-butadiene in the Presence of Oxygen
This article assesses rates of reactions in the context of atmospheric chemistry.
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.
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.
Negative ion photoelectron spectroscopy of P₂N₃⁻: electron affinity and electronic structures of P₂N₃˙
This article reports a negative ion photoelectron spectroscopy (NIPES) and ab initio study of the recently synthesized planar aromatic inorganic ion P₂N₃⁻, to investigate the electronic structures of P₂N₃⁻ and its neutral P₂N₃˙ radical.
Electrodeposition of Cu-Ni Composite Coatings
This book chapter reviews the electrodeposition of Cu-Ni incorporated with nano- to microparticles to produce metal matrix composites.
Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures
This article discusses the determination of the solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures at five different temperatures from 293.15 K to 313.15 K. The Jouyban-Acree model was used to correlate/predict the solubility values.
Bad Pyrmont Spa
Photo depicts the Bad Pyrmont Spa in western Germany which is known for its therapeutic baths and vapor cave. The paragraph on the bottom of page 70 gives details about the photo and the spa.
Rediscovery of the Elements: The Rare Earths - The Confusing Years
This article gives a timeline of research conducted on the rare earths, 17 elements found in the f-block and Group III chemical family of the Periodic Table. It covers discoveries made after the success of Swedish chemist, Carl Gustaf Mosander. The article describes the categorization of the rare earths that took place after Mosander's time, as well as separation techniques that developed.
Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material
This article describes the crystal structure of the title compound, and examines application as an agent for locating cancer cells with two-photon excited fluorescence as as a potential agent for a photodynamic treatment of cancer. This article includes supporting information with computing details of the study.
Negative ion photoelectron spectroscopy confirms the prediction that D₃ₕ carbon trioxide (CO₃) has a singlet ground state
This article reports the NIPE spectrum of CO₃ and assign the peaks in it with the help of DFT and ab initio calculations.
Comments Concerning "A Possible Simplification of the Goss-Modified Abraham Solvation Equation"
This article provides comments concerning "A possible simplification of the Goss-modified Abraham solvation equation," published in Chemosphere in 2013.
Using Water-Solvent Systems To Estimate In Vivo Blood-Tissue Partition Coefficients
This article discusses water-solvent systems for estimating in vivo blood-tissue partition coefficients.
Multireference Character for 4d Transition Metal-Containing Molecules
This article proposes new criteria, namely T₁ ≥ 0.045, D₁ ≥ 0.120, and %TAE ≥ 10%, as a gauge for 4d transition metal-containing molecules to predic the possible need to employ multireference (MR) wave function-based methods to describe energetic and spectroscopic properties.
Rediscovery of the Elements: The Rare Earths - The Beginnings
This article explores the rare earths, the chemically similar elements that occupy the f-block of the Periodic Table and the Group III chemical family. The articles shows the locations that certain rare earths were originally found. It also gives details on where the elements can be found currently, as well as major production areas. The cover of the Fall 2015 Hexagon journal (Vol. 106, Issue 3) features the Mountain Pass rare earth ore body in Southern California, which is mentioned in the article on pages 40-45 of the journal. A description of the photo on the cover of the journal can be found on page 38.
Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase
Article on Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase.
Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
Article on the effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations.
Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase
Article on Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase.
Solubility of Tris(hydroxymethyl)aminomethane in Water + Methanol + 1-Propanol Mixtures at Various Temperatures
Article on the solubility of tris(hydroxymethyl)aminomethane in water + methanol + 1-propanol mixtures at various temperatures.
20 Mule Team
This photograph from the front cover of an issue of the Hexagon Journal displays the mock 20 mule team that stands outside of the Rio Tinto Borax Museum in Boron, California. The mule team depicts the original mode used to transport the chemical compound, borax, out of Death Valley between 1883 and 1888. A description of the photograph is shown on page 23 of the journal.
Rediscovery of the Elements: Sir Humphry Davy and the Alkalis
Article provides information on the history of alkalis, particularly discoveries associated with potassium and sodium. The article also gives information on Humphry Davy, the first person to prepare alkalis in elemental form.
Abraham Model Correlations for Describing Solute Transfer into 2-Butoxyethanol from Both Water and the Gas Phase at 298 K
Article on Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298 K.
Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry
This article uses the relativistic-pseudopotential correlation consistent approach (rp-ccCA) to determine the enthalpy of formation of 24 first row (3d) transition metal compounds.
Deduction of physiochemical properties from solubilities: 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples
Article discussing the deduction of physiochemical properties from solubilities and 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples.
Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol
Article on experimental and computational studies of the kinetics of the reaction of atomic hydrogen with methanethiol.
Rate Constant and Thermochemistry for K + O2 + N2 = KO2 + N2
This article discusses rate constant and thermochemistry for K + O2 + N2 = KO2 + N2.
Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge
Article on the determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge.
Predicting Abraham model solvent coefficients
Article on predicting Abraham model solvent coefficients.
Rediscovery of the Elements: Daniel Rutherford, Nitrogen, and the Demise of Phlogiston
Article describing Daniel Rutherford's discovery of nitrogen. The article also details the work of other scientists revolving around the discovery of nitrogen.
High-Temperature Kinetics of the Reaction between Chlorine Atoms and Hydrogen Sulfide
Article on high-temperature kinetics of the reaction between chlorine atoms and hydrogen sulfide.
Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)
Article on temperature and pressure dependence of the reaction S + CS (+M) → CS2 (+M).
Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2
Article on glyoxal oxidation mechanism and implications for the reactions HCO + O2 and OCHCHO + HO2.
Comment on "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata"
This article gives comment to a previous article published in 'Molecular Pharmaceuticals' titled, "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata."
Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation
Article on ab initio and kinetic modeling studies of formic acid oxidation.
Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand
In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.