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Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001) (open access)

Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)

Article on band engineering and magnetic doping of epitaxial graphene on SiC (0001).
Date: April 9, 2010
Creator: Jayasekera, Thushari; Kong, Byoung Don; Kim, Ki Wook & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library

Comments Regarding "Density, Speed of Sound, Refractive Index and Derivatives Properties of the Binary Mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T = 288.15 - 313.15 K"

This article offers comment on "Density, speed of sound, refractive index and derivatives properties of the binary mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T=288.15 - 313.15 K."
Date: April 9, 2013
Creator: Acree, William E. (William Eugene) & Stephens, Timothy W.
Object Type: Article
System: The UNT Digital Library
Supporting Material for: Thermochemical Investigations of Solute Transfer into Ionic Liquid Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions (open access)

Supporting Material for: Thermochemical Investigations of Solute Transfer into Ionic Liquid Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions

This document includes supplemental material to an article titled "Thermochemical Investigations of Solute Transfer into Ionic Liquid Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions," published in Physics and Chemistry of Liquids.
Date: February 25, 2014
Creator: Stephens, Timothy W.; Chou, Vicky; Quay, Amanda N.; Shen, Connie; Dabadge, Nishu; Tian, Amy et al.
Object Type: Text
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 (open access)

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
Thermochemical Investigations of Solute Transfer into Ionic Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions (open access)

Thermochemical Investigations of Solute Transfer into Ionic Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions

Article on thermochemical investigations of solute transfer into ionic liquid solvents and updated Abraham model equation coefficients for solute activity coefficient and partition coefficient predictions.
Date: February 25, 2014
Creator: Stephens, Timothy W.; Chou, Vicky; Quay, Amanda N.; Shen, Connie; Dabadge, Nishu; Tian, Amy et al.
Object Type: Article
System: The UNT Digital Library

[Dataset Supplemental Material and References]

Supplemental materials and references accompanying a series of chemistry datasets.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library

Biological Systems Dataset

Dataset generated for research on biological systems.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library
Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures" (open access)

Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures"

This article provides comments on "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures," published in 'Physics and Chemistry of Liquids,' 2013.
Date: June 3, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
A Novel Methodology to Mimic Biological Properties using Ionic Liquids: An Extensive in silico Study (open access)

A Novel Methodology to Mimic Biological Properties using Ionic Liquids: An Extensive in silico Study

Paper discussing an extensive in silico study and a novel methodology to mimic biological properties using ionic liquids.
Date: October 2014
Creator: Mehta, Sumedha; Kuprasertkul, Nina & Wadawadigi, Akash
Object Type: Paper
System: The UNT Digital Library
Using Paired Depth Interviews to Collect Qualitative Data (open access)

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.
Date: September 5, 2016
Creator: Wilson, Angela K.; Onwuegbuzie, Anthony J. & Manning, LaShondra P.
Object Type: Article
System: The UNT Digital Library
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library (open access)

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

This article presents the Automatic Anharmonic Phonon Library.
Date: November 17, 2016
Creator: Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten et al.
Object Type: Article
System: The UNT Digital Library
The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation (open access)

The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation

Our country continues to demand clean renewable energy to meet the growing energy needs of our time. Thus, natural gas, which is 87% by volume of methane, has become a hot topic of discussion because it is a clean burning fuel. However, the transportation of methane is not easy because it is a gas at standard temperature and pressure. The usage of transition metals for the conversion of small organic species like methane into a liquid has been a longstanding practice in stoichiometric chemistry. Nonetheless, the current two-step process takes place at a high temperature and pressure for the conversion of methane and steam to methanol via CO + H2 (syngas). The direct oxidation of methane (CH4) into methanol (CH3OH) via homogeneous catalysis is of interest if the system can operate at standard pressure and a temperature less than 250 C. Methane is an inert gas due to the high C-H bond dissociation energy (BDE) of 105 kcal/mol. This dissertation discusses a series of computational investigations of oxy-insertion pathways to understand the essential chemistry behind the functionalization of methane via the use of homogeneous transition metal catalysis. The methane to methanol (MTM) catalytic cycle is made up of two key …
Date: May 2014
Creator: Prince, Bruce M.
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Targeted and Metal-loaded Polymeric Nanoparticles As Potential Cancer Therapeutics (open access)

Targeted and Metal-loaded Polymeric Nanoparticles As Potential Cancer Therapeutics

Polymeric nanoparticles were designed, synthesized, and loaded with metal ions to explore the therapeutic potential for transition metals other than platinum found in cisplatin. Nanoparticles were synthesized to show the potential for polymer based vectors. Metal loading and release were characterized via Inductively Coupled Plasma Mass Spectrometry (ICP MS), Energy Dispersive X-Ray Spectroscopy (EDX), X-Ray Photoelectron Spectroscopy (XPS), and Elemental Analysis. Targeting was attempted with the expectation of observed increased particle uptake by cancer cells with flow cytometry and fluorescence microscopy. Results demonstrated that a variety of metals could be loaded to the nano-sized carriers in an aqueous environment, and that the release was pH-dependent. Expected increased targeting was inconsistent. The toxicity of these particles was measured in cancer cells where significant toxicity was observed in vitro via dosing of high copper-loaded nanoparticles and slight toxicity was observed in ruthenium-loaded nanoparticles. No significant toxicity was observed in cells dosed with metal-free nanoparticles. Future research will focus on ruthenium loaded polymeric nanoparticles with different targeting ligands dosed to different cell lines for the aim of increased uptake and decreased cancer cell viability.
Date: May 2014
Creator: Harris, Alesha N.
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Saguaro Cactus and Joshua Trees (open access)

Saguaro Cactus and Joshua Trees

Front cover of the spring 2013 issue of The Hexagon, which features an image of a saguaro cactus and joshua trees at a location in northwest Arizona along highway US 93. The inside cover contains a table of contents, a staff list, an editorial, and details about the cover photograph.
Date: Spring 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Rediscovery of the Elements: Rhenium and Technetium (open access)

Rediscovery of the Elements: Rhenium and Technetium

Article describing the discovery of rhenium and technetium by Walter Karl Friedrich Noddack and Ida Eva Noddack-Tacke. Information regarding pertinent locations is included.
Date: Winter 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Rediscovery of the Elements: Cronstedt and Nickel (open access)

Rediscovery of the Elements: Cronstedt and Nickel

Article describing Axel Fredrik Cronstedt and his discovery of nickel. Information regarding pertinent locations is included.
Date: Summer 2014
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Rediscovery of the Elements: Joseph Black. Magnesia and Fixed Air (open access)

Rediscovery of the Elements: Joseph Black. Magnesia and Fixed Air

Article describing Joseph Black and his discovery of magnesia and fixed air. The authors toured Edinburgh, Scotland in search of locations important to Black, providing the reader with maps and historical information regarding the sites.
Date: Autumn 2014
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
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
Simultaneous Direct Holographic Fabrication of Photonic Cavity and Graded Photonic Lattice With Dual Periodicity, Dual Basis, and Dual Symmetry (open access)

Simultaneous Direct Holographic Fabrication of Photonic Cavity and Graded Photonic Lattice With Dual Periodicity, Dual Basis, and Dual Symmetry

This article demonstrates the digital, holographic fabrication of graded, super-basis photonic lattices with dual periodicity, dual basis, and dual symmetry.
Date: June 15, 2017
Creator: Lowell, David; Lutkenhaus, Jeffrey; George, David; Philipose, Usha; Chen, Banglin & Lin, Yuankun
Object Type: Article
System: The UNT Digital Library
Reduced structural flexibility for an exonuclease deficient DNA polymerase III mutant (open access)

Reduced structural flexibility for an exonuclease deficient DNA polymerase III mutant

This article reports on the dynamics of E coli DNA polymerase III proofreading in the presence of its processivity factor, the β₂-sliding clamp, at varying base pair termini using single-molecule FRET.
Date: June 29, 2018
Creator: Gahlon, Hailey L.; Walker, Alice R.; Cisneros, Gerardo Andrés; Lamers, Meindert H. & Rueda, David S.
Object Type: Article
System: The UNT Digital Library
Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand (open access)

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.
Date: December 1, 2014
Creator: Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R., 1964- & Hillhouse, Gregory L.
Object Type: Article
System: The UNT Digital Library
Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry (open access)

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.
Date: May 22, 2015
Creator: Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II) (open access)

Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II)

This article reports the synthesis, characterization, and solution dynamics of the novel nickel(II) complexes (dimethylbis(2-pyridyl)borate)(triphenylphosphine)nickel(II) chloride (4) and (dimethylbis(2-pyridyl)borate)nickel(II) acetylacetonate (6).
Date: April 7, 2014
Creator: Celaje, Jeff A.; Pennington-Boggio, Megan K.; Flaig, Robinson W.; Richmond, Michael G. & Williams, Travis J.
Object Type: Article
System: The UNT Digital Library

Blood Brain Organic Solute Descriptors

Dataset generated for research on blood brain organic solute descriptors.
Date: July 11, 2014
Creator: Kupra, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library