Prediction of Partition Coeffecients  and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Date: February 10, 2012
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Description: Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Contributing Partner: UNT College of Arts and Sciences
Synthesis and Characterization of Copper Releasing Polymer Nanoparticles

Synthesis and Characterization of Copper Releasing Polymer Nanoparticles

Date: May 2011
Creator: Harris, Alesha N.
Description: Polymeric nanoparticles were synthesized and loaded with Cu²⁺ to explore the therapeutic potential for catically active transition metal ions and complexes other than cisplatin. Two types of nanoparticles were synthesized to show the potential for polymer based vectors. Copper 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. Results demonstrated that Cu could be loaded to the nano-sized carriers in an aqueous environment, and that the release was pH-dependent. The toxicity of these particles was measured in HeLa cells where significant toxicity was observed in vitro via dosing of high Cu-loaded nanoparticles. No significant toxicity was observed in cells dosed with Cu-free nanoparticles.
Contributing Partner: UNT Libraries
Homework versus daily quizzes: The effects on academic performance within high school pre-AP chemistry.

Homework versus daily quizzes: The effects on academic performance within high school pre-AP chemistry.

Date: August 2010
Creator: King, Jo Laurie Marushia
Description: This research proposed to evaluate whether homework or daily quizzes were better for academic success within high-school pre-AP chemistry or if differences in the two methods were detectable. The study involved two years of data where homework was assigned and graded and one year of data where homework was suggested but daily quizzes provided the assessment. The mean of each of the unit tests were evaluated and t-tests were calculated. The results showed that over two-thirds of the units had statistically significant data when daily quizzes were utilized.
Contributing Partner: UNT Libraries
Polycyclic Aromatic Hydrocarbons: Spectrofluorometric Quenching and Solubility Behavior

Polycyclic Aromatic Hydrocarbons: Spectrofluorometric Quenching and Solubility Behavior

Date: Spring 1999
Creator: Roy, Lindsay Elizabeth
Description: Thesis written by a student in the UNT Honors College discussing the removal of toxic polycyclic aromatic hydrocarbons from soil.
Contributing Partner: UNT Honors College
Applications of nanomanipulation coupled to nanospray mass spectrometry in trace fiber analysis and cellular lipid analysis.

Applications of nanomanipulation coupled to nanospray mass spectrometry in trace fiber analysis and cellular lipid analysis.

Date: December 2008
Creator: Ledbetter, Nicole
Description: The novel instrumentation of nanomanipulation coupled to nanospray mass spectrometry and its applications are presented. The nanomanipulator has the resolution of 10nm step sizes allowing for specific fine movement used to probe and characterize objects of interest. Nanospray mass spectrometry only needs a minimum sample volume of 300nl and a minimum sample size of 300attograms to analyze an analyte making it the ideal instrument to couple to nanomanipulation. The nanomanipulator is mounted to an inverted microscope and consists of 4 nano-positioners; these nano-positioners hold end-effectors and other tools used for manipulation. This original coupling has been used to enhance the current abilities of cellular probing and trace fiber analysis. Experiments have been performed to demonstrate the functionality of this instrument and its capabilities. Histidine and caffeine have been sampled directly from single fibers and analyzed. Lipid bodies from cotton seeds have been sampled indirectly and analyzed. The few applications demonstrated are only the beginning of nanomanipulation coupled to nanospray mass spectrometry and the possible applications are numerous especially with the ability to design and fabricate new end-effectors with unique abilities. Future study will be done to further the applications in direct cellular probing including toxicology studies and organelle analysis of ...
Contributing Partner: UNT Libraries
The preparation and characterization of thermo-sensitive colored hydrogel film and surfactant-free porous polystyrene three-dimensional network.

The preparation and characterization of thermo-sensitive colored hydrogel film and surfactant-free porous polystyrene three-dimensional network.

Date: December 2001
Creator: Zhou, Bo
Description: Polymer hydrogel films change their properties in response to environmental change. This remarkable phenomenon results in many potential applications of polymer hydrogel films. In this thesis colored thermo-sensitive poly(N-isopropylacrylamide) (PNIPAAm) hydrogel film was prepared by firstly synthesizing polymer latex and secondarily crosslinking the nanoparticles and casting the polymers onto glass. The shape-memory effect has been observed when changing the environmental temperature. The temperature-dependent of turbidity of polymer hydrogel film was measured by HP UVVisible spectrophotometer. This intelligent hydrogel might be used in chemomechanical systems and separation devices as well as sensors. Polymer adsorption plays an important role in many products and processes. In this thesis, surfactant-free three-dimensional polystyrene (PS) nanoparticle network has been prepared. The infrared spectroscopy and solubility experiment are performed to prove the crosslinking mechanism, also the BET method was used to measure the adsorption and desorption of polystyrene network. The BET constant (C) is calculated (C=6.32). The chemically bonded polymer nanoparticle network might have potential applications as catalyst or used for chromatographic columns.
Contributing Partner: UNT Libraries
Experimental Determination of L, Ostwald Solubility Solute Descriptor for Illegal Drugs By Gas Chromatography and Analysis By the Abraham Model

Experimental Determination of L, Ostwald Solubility Solute Descriptor for Illegal Drugs By Gas Chromatography and Analysis By the Abraham Model

Date: May 2012
Creator: Wang, Zhouxing
Description: The experiment successfully established the mathematical correlations between the logarithm of retention time of illegal drugs with GC system and the solute descriptor L from the Abraham model. the experiment used the method of Gas Chromatography to analyze the samples of illegal drugs and obtain the retention time of each one. Using the Abraham model to calculate and analyze the sorption coefficient of illegal drugs is an effective way to estimate the drugs. Comparison of the experimental data and calculated data shows that the Abraham linear free energy relationship (LFER) model predicts retention behavior reasonably well for most compounds. It can calculate the solute descriptors of illegal drugs from the retention time of GC system. However, the illegal drugs chosen for this experiment were not all ideal for GC analysis. HPLC is the optimal instrument and will be used for future work. HPLC analysis of the illegal drug compounds will allow for the determination of all the solute descriptors allowing one to predict the illegal drugs behavior in various Abraham biological and medical equations. the results can be applied to predict the properties in biological and medical research which the data is difficult to measure. the Abraham model will predict ...
Contributing Partner: UNT Libraries
Synthesis and Characterization of Platinum(II)(2-(9-anthracenylylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione)(dichloride), Platinum(II)(2-(9-anthracenylylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione(maleonitriledithiolate), and Platinum(II)(4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione)(4-Methyl-1,2-benzene dithiol)

Synthesis and Characterization of Platinum(II)(2-(9-anthracenylylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione)(dichloride), Platinum(II)(2-(9-anthracenylylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione(maleonitriledithiolate), and Platinum(II)(4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione)(4-Methyl-1,2-benzene dithiol)

Date: December 2009
Creator: Hunt, Sean W.
Description: Substitution of the 1,5-cyclooctadiene (cod) ligand in PtCl2(cod) (1) by the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd) yields PtCl2(bpcd) (2). Knoevenagel condensation of 2 with 9-anthracenecarboxaldehyde leads to the functionalization of the bpcd ligand and formation of the corresponding 2-(9-anthracenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (abpcd) substituted compound PtCl2(abpcd) (3), which is also obtained from the direct reaction of 1 with the abpcd ligand in near quantitative yield. The reaction of 3 with disodium maleonitriledithiolate (Na2mnt) affords the chelating dithiolate compound Pt(mnt)(abpcd) (4). The reaction of PtCl2(bpcd) (2) with 4-methyl-1,2-benzene dithiol under basic conditions affords Pt(tdt)(bpcd) (5). Compounds 2-5 have been fully characterized in solution by IR and NMR spectroscopies (1H and 31P), and their molecular structures established by X-ray crystallography. The electrochemical properties of 2‑5 have examined by cyclic voltammetry, and the nature of the HOMO and LUMO levels in systems 2-4 has been established by MO calculations at the extended Hückel level, the results of which are discussed with respect to electrochemical data and related diphosphine derivatives. In addition the new compounds 2-5 have been isolated by column chromatography and characterized by IR, UV-Vis spectroscopy.
Contributing Partner: UNT Libraries
Electrochemical deposition of zinc-nickel alloys in alkaline solution for increased corrosion resistance.

Electrochemical deposition of zinc-nickel alloys in alkaline solution for increased corrosion resistance.

Access: Use of this item is restricted to the UNT Community.
Date: December 2009
Creator: Conrad, Heidi A.
Description: The optimal conditions for deposition of zinc-nickel alloys onto stainless steel discs in alkaline solutions have been examined. In the past cadmium has been used because it shows good corrosion protection, but other methods are being examined due to the high toxicity and environmental threats posed by its use. Zinc has been found to provide good corrosion resistance, but the corrosion resistance is greatly increased when alloyed with nickel. The concentration of nickel in the deposit has long been a debated issue, but for basic solutions a nickel concentration of 8-15% appears optimal. However, deposition of zinc-nickel alloys from acidic solutions has average nickel concentrations of 12-15%. Alkaline conditions give a more uniform deposition layer, or better metal distribution, thereby a better corrosion resistance. Although TEA (triethanolamine) is most commonly used to complex the metals in solution, in this work I examined TEA along with other complexing agents. Although alkaline solutions have been examined, most research has been done in pH ≥ 12 solutions. However, there has been some work performed in the pH 9.3-9.5 range. This work examines different ligands in a pH 9.3-9.4 range. Direct potential plating and pulse potential plating methods are examined for optimal platings. The ...
Contributing Partner: UNT Libraries
Thermodynamics of Mobile Order Theory: Solubility and Partition Aspects

Thermodynamics of Mobile Order Theory: Solubility and Partition Aspects

Date: August 2004
Creator: De Fina, Karina M.
Description: The purpose of this thesis is to analyze the thermochemical properties of solutes in nonelectrolyte pure solvents and to develop mathematical expressions with the ability to describe and predict solution behavior using mobile order theory. Solubilities of pesticides (monuron, diuron, and hexachlorobenzene), polycyclic aromatic hydrocarbons (biphenyl, acenaphthene, and phenanthrene), and the organometallic ferrocene were studied in a wide array of solvents. Mobile order theory predictive equations were derived and percent average absolute deviations between experimental and calculated mole fraction solubilities for each solute were as follows: monuron in 21 non-alcoholic solvents (48.4%), diuron in 28 non-alcoholic solvents (60.1%), hexachlorobenzene (210%), biphenyl (13.0%), acenaphthene (37.8%), phenanthrene (41.3%), and ferrocene (107.8%). Solute descriptors using the Abraham solvation model were also calculated for monuron and diuron. Coefficients in the general solvation equation were known for all the solvents and solute descriptors calculated using multilinear regression techniques.
Contributing Partner: UNT Libraries
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