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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
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
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
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
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
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
Surface core-level binding energy shifts for MgO(100) (open access)

Surface core-level binding energy shifts for MgO(100)

This article presents theoretical and experimental results for the surface core-level binding energy, BE, shifts, SCLS, for MgO(100) and the anomalous O(1s) SCLS is interpreted in terms of the surface electronic structure.
Date: July 29, 2014
Creator: Nelin, Connie J.; Uhl, Felix; Staemmler, Volker; Bagus, Paul S.; Fujimori, Yuichi; Sterrer, Martin et al.
Object Type: Article
System: The UNT Digital Library

Bluegill Dataset

Dataset generated for research on bluegills.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library

Ionic Liquids Dataset

Dataset generated for research on ionic liquids.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library

Log P Blood Fat Dataset

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

Log LC Daphnia pulex Dataset

Dataset generated for research on Daphnia pulex.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library

Log P Blood Brain Dataset

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

Log LC Bluegill Dataset

Dataset generated for research on bluegills.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library

Log P Blood Liver Dataset

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

Test and Training Bio Systems Dataset

Dataset generated for research on test and training bio systems.
Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type: Dataset
System: The UNT Digital Library

Organic Solvents Dataset

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

Blood Fat Solute Descriptors Dataset

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