Crystal structure of bis­(aceto­nitrile-κN)(4,4′-di-tert-butyl-2,2′-bi­pyridine-κ2N,N′)platinum(II) bis­(tetra­fluorido­borate) packing as head-to-head dimers (open access)

Crystal structure of bis­(aceto­nitrile-κN)(4,4′-di-tert-butyl-2,2′-bi­pyridine-κ2N,N′)platinum(II) bis­(tetra­fluorido­borate) packing as head-to-head dimers

Article discusses the crystal structure of a platinum(II) supra­molecular building block, [Pt(dbbpy)(NCCH3)2](BF4)2 (dbbpy = 4,4′-di-tert-butyl-2,2′-bi­pyridine, C18H24N2).
Date: April 24, 2018
Creator: Joseph, Chris; Nesterov, Vladimir N. & Smucker, Bradley W.
Object Type: Article
System: The UNT Digital Library
Crystal structure of bis(acetonitrile-𝖪N)(4,4'-di-tert-butyl-2,2'-bipyridine-𝖪²N,N')platinum(II) bis(tetra-fluoridoborate) packing as head-to-head dimers (open access)

Crystal structure of bis(acetonitrile-𝖪N)(4,4'-di-tert-butyl-2,2'-bipyridine-𝖪²N,N')platinum(II) bis(tetra-fluoridoborate) packing as head-to-head dimers

This article describes the crystal structure of a platinum(II) supramolecular building block, [Pt-(dbbpy)NNCCH₃)₂](BF₄)₂ (dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine, C₁₈H₂₄N₂).
Date: April 16, 2018
Creator: Joseph, Chris; Nesterov, Vladimir N. & Smucker, Bradley W.
Object Type: Article
System: The UNT Digital Library
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 (open access)

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

This paper presents 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 and the activity coefficient at infinite dilution in water at 298.15 K or organic molecules.
Date: December 10, 2017
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Direct Graphene Growth on Metal Oxides by Molecular Epitaxy (open access)

Direct Graphene Growth on Metal Oxides by Molecular Epitaxy

Patent relating to the controlled, layer-by-layer growth of graphene on a useful, magnetizable/and or insulating substrate using molecular beam epitaxy (MBE).
Date: June 13, 2013
Creator: Kelber, Jeffry A.
Object Type: Patent
System: The UNT Digital Library
Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes (open access)

Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes

This article presents a detailed study on constructing potential energy surfaces using a machine learning method, namely, Gaussian process regression.
Date: February 6, 2017
Creator: Kolb, Brian; Marshall, Paul; Zhao, Bin; Jiang, Bin & Guo, Hua
Object Type: Article
System: The UNT Digital Library
Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation (open access)

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.
Date: March 9, 2017
Creator: Moghadam, Peyman Z.; Ivy, Joshua F.; Arvapally, Ravi K.; dos Santos, Antonio M.; Pearson, John C.; Zhang, Li et al.
Object Type: Article
System: The UNT Digital Library

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.
Date: March 8, 2017
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Object Type: Article
System: The UNT Digital Library
Redox Non-Innoence Permits Catalytic Nitrene Carbonylation by (dadi)Ti=NAd (Ad = Adamantyl) (open access)

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.
Date: March 3, 2017
Creator: Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R., 1964- & MacMillan, Samantha N.
Object Type: Article
System: The UNT Digital Library
Pharmaceuticals Solubility is Still Nowadays Widely Studied Everywhere (open access)

Pharmaceuticals Solubility is Still Nowadays Widely Studied Everywhere

This editorial discusses the importance of equilibrium solubility in pharmaceutical areas.
Date: March 2017
Creator: Martínez, Fleming
Object Type: Article
System: The UNT Digital Library
ALKBH7 Variant Related to Prostate Cancer Exhibits Altered Substrate Binding (open access)

ALKBH7 Variant Related to Prostate Cancer Exhibits Altered Substrate Binding

This article reports a targeted search for single nucleotide polymorphisms (SNPs) and functional impact characterization of human ALKBH family dioxygenases related to prostate cancer.
Date: September 23, 2016
Creator: Walker, Alice R.; Silvestrov, Pavel; Müller, Tina A.; Podolsky, Robert H.; Dyson, Gregory; Hausinger, Robert P. et al.
Object Type: Article
System: The UNT Digital Library
The Mechanisms and Biomedical Applications of an NIR BODIPY-Based Switchable Fluorescent Probe (open access)

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.
Date: February 11, 2017
Creator: Cheng, Bingbing; Bandi, Venugopal; Yu, Shuai; D'Souza, Francis; Nguyen, Kytai T.; Hong, Yi et al.
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
Graphene Magnetic Tunnel Junction Spin Filters and Methods of Making (open access)

Graphene Magnetic Tunnel Junction Spin Filters and Methods of Making

Patent relating to methods of forming a few molecule thick graphene layer on a ferromagnetic layer, at temperatures and conditions consistent with integration with silicon-based complementary metal oxide semiconductors (Si CMOS).
Date: May 25, 2012
Creator: Kelber, Jeffry A. & Zhou, Mi
Object Type: Patent
System: The UNT Digital Library
A Dual-Modality System for Both Multi-Color Ultrasound-Switchable Fluorescence and Ultrasound Imaging (open access)

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.
Date: February 4, 2017
Creator: Kandukuri, Jayanth; Yu, Shuai; Cheng, Bingbing; Bandi, Venugopal; D'Souza, Francis; Nguyen, Kytai T. et al.
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

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.
Date: January 17, 2017
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library

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.
Date: January 7, 2017
Creator: Cárdenas, Zaira J.; Jiménez, Daniel M.; Delgado, Daniel R.; Almanza, Ovidio A.; Jouyban, Abolghasem; Martínez, Fleming et al.
Object Type: Article
System: The UNT Digital Library

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.
Date: December 24, 2016
Creator: Stolov, Mikhail; Zaitseva, Ksenia V.; Varfolomeev, Mikhail A. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Excited State Charge Separation in Solution and in Electropolymerized Films of Terthiophene-Fullerene Dyad and Phenothiazine-Terthiophene-Fullerene Triad (open access)

Excited State Charge Separation in Solution and in Electropolymerized Films of Terthiophene-Fullerene Dyad and Phenothiazine-Terthiophene-Fullerene Triad

This article reports synthesis, X-ray structure and excited state events occurring in a terthiophene-C₆₀ dyad (TT-C₆₀), and a phenothiazine-terthiophene-C₆₀ triad (PTZ-TT-C₆₀).
Date: December 23, 2016
Creator: Bodenstedt, Kurt; Lim, G. N.; Vdouychenko, Mark; Estrada, Tania; Subbaiyan, Navaneetha K.; Nesterov, Vladimir N. et al.
Object Type: Article
System: The UNT Digital Library
Molecularly Imprinted Polymer Based Extended-Gate Field-Effect Transistor Chemosensors for Phenylalanine Enantioselective Sensing (open access)

Molecularly Imprinted Polymer Based Extended-Gate Field-Effect Transistor Chemosensors for Phenylalanine Enantioselective Sensing

This article discusses the design and synthesis of molecularly imprinted polymers, guided by DFT calculations.
Date: December 15, 2016
Creator: Iskierko, Z.; Checinska, A.; Sharma, Piyush S.; Golebiewska, K.; Noworyta, K.; Borowicz, Pawet et al.
Object Type: Article
System: The UNT Digital Library
Comment on "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" (open access)

Comment on "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"

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.
Date: December 7, 2016
Creator: Acree, William E. (William Eugene); Barrera, Maribel & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Electrochemical Formation of Cerium Oxide/Layered Silicate Nanocomposite Films (open access)

Electrochemical Formation of Cerium Oxide/Layered Silicate Nanocomposite Films

This article presents electrochemical deposition of a ceramic with nanoclay addition, cerium oxide/layered silicate films.
Date: November 17, 2016
Creator: Wang, Adele Qi & Golden, Teresa
Object Type: Article
System: The UNT Digital Library

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.
Date: November 11, 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 Exploratory Flow Reactor Study of Hydrogen Sulfide Oxidation at 30–100 Bar (open access)

An Exploratory Flow Reactor Study of Hydrogen Sulfide Oxidation at 30–100 Bar

Article exploring experiments on hydrogen sulfide oxidation that were conducted in O₂/N₂ at high pressure (30 and 100 bar) under oxidizing and stoichiometric conditions.
Date: November 9, 2016
Creator: Song, Yu; Hashemi, Hamid; Christensen, Jakob Munkholt; Zou, Chun; Haynes, Brian S.; Marshall, Paul et al.
Object Type: Article
System: The UNT Digital Library