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  Partner: UNT Libraries
 Degree Discipline: Chemistry
 Collection: UNT Theses and Dissertations
Characterization of Ionic Liquid As a Charge Carrier for the Detection of Neutral Organometallic Complexes Using Electrospray Ionization Mass Spectrometry

Characterization of Ionic Liquid As a Charge Carrier for the Detection of Neutral Organometallic Complexes Using Electrospray Ionization Mass Spectrometry

Date: August 2012
Creator: Joshi, Ubisha
Description: A novel application of ionic liquid as a charge carrier for the analysis and detection of neutral organometallic complexes using a mass spectrometer has been presented. The mass spectrometer detects only charged compounds which raise a difficulty in analyzing a neutral molecule that lacks a basic site to associate with charge. Therefore, an effective way of providing charge has always been an area of keen interest in the field of mass spectrometry. Ionic liquids have a very fascinating property of forming a cation-? interaction with other molecules to give a charged complex. In order to take advantage of this, it is important to know the geometric structure of the complex. Advanced methodologies like hydrogen-deuterium exchange and computational calculations have been used assisting in better understanding of the structure of the ionic liquid complexes.
Contributing Partner: UNT Libraries
Characterization of Low Barrier Hydrogen Bonds in Enzyme Catalysis: an Ab Initio and DFT Investigation

Characterization of Low Barrier Hydrogen Bonds in Enzyme Catalysis: an Ab Initio and DFT Investigation

Date: August 1999
Creator: Pan, Yongping
Description: Hartree-Fock, Moller-Plesset, and density functional theory calculations have been carried out using 6-31+G(d), 6-31+G(d,p) and 6-31++G(d,p) basis sets to study the properties of low-barrier or short-strong hydrogen bonds (SSHB) and their potential role in enzyme-catalyzed reactions that involve proton abstraction from a weak carbon-acid by a weak base. Formic acid/formate anion, enol/enolate and other complexes have been chosen to simulate a SSHB system. These complexes have been calculated to form very short, very short hydrogen bonds with a very low barrier for proton transfer from the donor to the acceptor. Two important environmental factors including small amount of solvent molecules that could possibly exist at the active site of an enzyme and the polarity around the active site were simulated to study their energetic and geometrical influences to a SSHB. It was found that microsolvation that improves the matching of pK as of the hydrogen bond donor and acceptor involved in the SSHB will always increase the interaction of the hydrogen bond; microsolvation that disrupts the matching of pKas, on the other hand, will lead to a weaker SSHB. Polarity surrounding the SSHB, simulated by SCRF-SCIPCM model, can significantly reduce the strength and stability of a SSHB. The residual strength ...
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A Chemical Analysis of Soft Wheat

A Chemical Analysis of Soft Wheat

Date: 1940
Creator: Truitt, Jack
Description: The purpose of this piece of research is to determine the chemical composition of soft winter wheat, and to make a comparative study of it. A study is also made concerning its possibilities as a balanced food.
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A Chemical Analysis of the Blackeyed Pea

A Chemical Analysis of the Blackeyed Pea

Date: 1941
Creator: Davis, Stanley F.
Description: The purpose of this research problem is to determine the chemical composition of the blackeyed pea and to make a comparative study of the results. The value of the blackeyed pea as food, its chemical nature, and possible industrial uses are studied and recorded.
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Chemical Analysis of the Bottom Deposits of Artificial Lakes with Special Emphasis on Lake Dallas

Chemical Analysis of the Bottom Deposits of Artificial Lakes with Special Emphasis on Lake Dallas

Date: 1940
Creator: Patrick, Paul V.
Description: This study is for the purpose of determining the chemical content of typical artificial reservoir bottom deposits.
Contributing Partner: UNT Libraries
The Chemical Analysis of the Mebane Cottonseed Kernel

The Chemical Analysis of the Mebane Cottonseed Kernel

Date: 1941
Creator: Hanna, Alvis Nelson
Description: The purpose of this work is to make a fairly complete chemical analysis of the Mebane 804-50 cottonseed kernel. A brief history of cotton plant and the economic value of its products are also presented.
Contributing Partner: UNT Libraries
A Chemical Analysis of the Peanut

A Chemical Analysis of the Peanut

Date: 1940
Creator: Brown, Carlos L.
Description: The object of this paper is to make an analysis of the mineral and food content of the peanut and to compare them with a balanced food.
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The Chemical Analysis of the Tennessee Green Pod Pole Bean

The Chemical Analysis of the Tennessee Green Pod Pole Bean

Date: 1941
Creator: Mitchell, O. R.
Description: The object of this paper is to compare the Tennessee green pod pole bean with other beans as to chemical composition and food value.
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Chemical Equilibria in Binary Solvents

Chemical Equilibria in Binary Solvents

Date: August 1997
Creator: McHale, Mary E. R.
Description: Dissertation research involves development of Mobile Order Theory thermodynamic models to mathematically describe and predict the solubility, spectral properties, protonation equilibrium constants and two-phase partitioning behavior of solutes dissolved in binary solvent mixtures of analytical importance. Information gained provide a better understanding of solute-solvent and solvent-solvent interactions at the molecular level, which will facilitate the development of better chemical separation methods based upon both gas-liquid and high-performance liquid chromatography, and better analysis methods based upon complexiometric and spectroscopic methods. Dissertation research emphasizes chemical equilibria in systems containing alcohol cosolvents with the understanding that knowledge gained will be transferable to more environmentally friendly aqueous-organic solvent mixtures.
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A Chemical, Physical, and Biological Investigation of the Total Suspended and Dissolved Substances in Lake Dallas with Emphasis on Sanitation

A Chemical, Physical, and Biological Investigation of the Total Suspended and Dissolved Substances in Lake Dallas with Emphasis on Sanitation

Date: 1942
Creator: Eads, Ewin A.
Description: The purpose of this investigation is to determine the suspended organic matter and the total phosphorus in the waters of Lake Dallas and to evaluate these findings. Since organic matter floating in lakes is largely composed of minute plants, animals, and detritus derived from animals and plants, the fertilizing effect of phosphorus must be considered as an integral part of this problem.
Contributing Partner: UNT Libraries