Doctoral Dissertations

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Browsing Doctoral Dissertations by Department "Chemistry"
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    Ab initio analysis of the energy and geometry during the rearrangement of cyclopentadienylboranes and the evaluation of the dapsic computer tutorial.
    (Middle Tennessee State University, 1999) Hill, Brian ; Chemistry
    The equilibrium and transition state geometries of the degenerate 1,5-sigmatropic rearrangement of cyclopentadienylborane, cyclopentadienyldifluroborane, cyclopentadienyldichloroborane, pentamethylcyclopentadienylborane, pentamethylcyclopentadienyldifluroborane, and pentarnethylcyclopentadienyldichloroborane were optimized using ab initio (RHF/3-21G*, RHF/6-31G*, RMP2/3-21G*, and RMP2/6-31G*) calculations. Activation energies were predicted and compared with previously published experimental data [P. Jutzi, B. Krato, M. Hursthouse, A. J. Howes, Chem. Ber. (1987), 120, 565--574.] The molecule optimized to an asymmetrical geometry with the boron atom shifted away from its symmetric h1 position and toward one of the two neighboring carbons. This geometry was predicted for each molecule at each level of theory except for C 5H5BH2 at the RMP2/6-31G* level and C5H 5BH2 at the RHF/6-31G* level. This geometry was also predicted for bis(pentamethylcyclopentadienyl)fluoroborane.
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    The capillary gas chromatographic profiling of human skin surface lipids for forensic application.
    (Middle Tennessee State University, 1986) Wilson, Linda ; Chemistry
    Profile analysis has been applied to the study of human skin surface lipids (SSL) to determine their utility in forensic applications. SSL were collected from the forehead and cheek of 23 volunteers. A pentane extract was analyzed by split injection capillary gas chromatography (GC). A 25-meter long, 0.2-mm-I.D. BP-5 fused silica capillary column was programmed from 80(DEGREES)C to 260(DEGREES)C at 10(DEGREES)C/min and then to 290(DEGREES)C at 3(DEGREES)C/min. The temperature was held at 290(DEGREES)C for 47 minutes for a total run time of 75 minutes.
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    Characterization of adenosine nucleosidase from Lupinus lutens L.
    (Middle Tennessee State University, 1998) Mcdonald, Nancy ; Chemistry
    Adenosine nucleosidase (EC 3.2.2.7), a key enzyme in metabolism of purines and plant growth regulators, catalyzes the irreversible hydrolysis of adenosine to yield adenine and ribose. Adenosine nucleosidase had previously been isolated by Abusamhadneh and obtained in a high state of purity from yellow lupin seeds after four days of germination. A final purification step using an {dollar}\omega{dollar}-aminohexyl agarose column resulted in an enzyme of sufficient purity for further characterization of the enzyme.
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    Characterizing the learning styles and testing the science-related attitudes of African American middle school students: implications for the underrepresentation of African Americans in the sciences.
    (Middle Tennessee State University, 2003) Perine, Donald ; Chemistry
    African Americans, Hispanics, Native Americans and women are underrepresented among the population of scientists and science teachers in the United States. Specifically, the shortage of African Americans teaching math and science at all levels of the educational process and going into the many science-related fields is manifested throughout the entire educational and career structure of our society. This shortage exists when compared to the total population of African Americans in this country, the population of African American students, and to society's demand for more math and science teachers and professionals of all races.
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    Characterizing the successful student in general chemistry and physical science classes in terms of Jung's personality types as identified by the Myers-Briggs Type Indicator.
    (Middle Tennessee State University, 1998) Riley, Wayne ; Chemistry
    A student's success in a science class can depend upon previous experiences, motivation, and the level of interest in the subject. Since psychological type is intrinsic to a person's whole being, it can be influential upon the student's motivation and interests. Thus, a study of student psychological types versus the level of success in a class, as measured by a percentage, has potential to uncover certain personality characteristics which may be helpful to or which may hinder a student's learning environment. This study was initiated, using the Myers-Briggs Type Indicator, to evaluate any correlation between a student's personality type and his/her performance in a science class. A total of 1041 students from three classes: Chemistry 121/122, Chemistry 112, Physical Science 100, volunteered for the study. An analysis of variance (ANOVA) was used to determine the levels of significance among sixteen personality types' averages. The results reveal that for the Chemistry 1121/122 course, the average score of the INTJ personality type was 5.1 to 12.6 points higher than every other personality type. The ANOVA identifies 3 personality types with averages significantly below the INTJ at the p {dollar} less than {dollar} 0.05 significance level. The ANOVA analysis for the Chemistry 112 course identified significances between student scores at p = 0.08. The significance level for the differences among scores for the Physical Science 100 course was determined at a level of p = 0.02. Significance levels for p {dollar} less than {dollar} 0.05 and {dollar} less than {dollar}0.01 were identified between several groups in this course. The data suggest, that although personality type may not predict a particular student's success in a science class, students with certain personality traits may be favored in a chemistry class due the structure of the instruction and the presentation of the subject matter.
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    Determination of acid ionization constants for weak acids by osmometry and the instrumental analysis self-evaluation feedback approach to student preparation of solutions.
    (Middle Tennessee State University, 2001) Kakolesha, Nyanguila ; Chemistry
    One focus of this work was to develop of an alternative method to conductivity for determining the acid ionization constants. Computer-controlled osmometry is one of the emerging analytical tools in industrial research and clinical laboratories. It is slowly finding its way into chemistry laboratories. The instrument's microprocessor control ensures shortened data collection time, repeatability, accuracy, and automatic calibration. The equilibrium constants of acetic acid, chloroacetic acid, bromoacetic acid, cyanoacetic acid, and iodoacetic acid have been measured using osmometry and their values compared with the existing literature values obtained, usually, from conductometric measurements. Ionization constant determined by osmometry for the moderately strong weak acids were in reasonably good agreement with literature values. The results showed that two factors, the ionic strength and the osmotic coefficient, exert opposite effects in solutions of such weak acids.
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    The effects of clickers and online homework on students' achievement in general chemistry /
    (Middle Tennessee State University, 2012) Gebru, Misganaw ; Chemistry
    Retention of an introductory general chemistry course material is vital for student success in future chemistry and chemistry-related courses. This study investigated the effects of clickers versus online homework on students' long-term content retention, examined the effectiveness of online homework versus no graded homework on students' achievement in a first-semester general chemistry course, and assessed students' attitudes toward the use of online homework. Students' data from the yearlong American Chemical Society General Chemistry (ACS GC97) exam, teacher-prepared final exams, and online surveys were analyzed to measure the effects of clickers and online homework on students' long-term content retention and performance, and to capture students' attitudes. A variety of methods including Welch ANOVA, independent samples t -test (Welch), Pearson's correlation, test of proportions, and Pearson's Chi-square test were used to analyze the data. The analyses indicated that the use of clickers or online homework did not significantly improve students' long-term content retention of general chemistry course material, that the use of online homework was more beneficial than, or at least as effective as no graded homework in improving students' performance, and students valued the fact that online homework provided immediate feedback. Additionally, results of this study revealed that greater numbers of students were retained in clicker and online homework classes than non-clicker, non-online homework classes and that various types of online homework systems used in general chemistry could impact student performance differently. Implications of the findings and future research directions were presented.
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    Evaluating three methods that contribute to the learning of inorganic chemical nomenclature /
    (Middle Tennessee State University, 2003) Chimeno, Joseph ; Chemistry
    The majority of students about to complete a first year chemistry course have a poor working knowledge of inorganic chemical nomenclature (average quiz scores are less than 60% correct). Usually, the chemical nomenclature topic is not emphasized in a first year chemistry class, and a minimum amount of time is devoted to it. The traditional assignment for chemical nomenclature involves having students work practice problems at the end of the chapter. Students are not very receptive to this approach. The minimal exposure to chemical nomenclature in class along with the ineffective approach of a traditional assignment results in students having a poor working knowledge of chemical nomenclature.
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    Guided learning chemistry activities in the physical science (PSCI 1030) lab at Middle Tennessee State University /
    (Middle Tennessee State University, 2005) Farris, Barry ; Chemistry
    Guided learning labs as alternatives to traditional style chemistry-related labs were tested in the course, Topics in Physical Science. Guided learning labs emphasized students' conceptual understanding of the science content and actively involved the instructor during the lab. The control group performed traditional lab exorcise while students who carried out the guided learning activities formed the treatment group. Both groups had similar demographic and academic backgrounds. This research compared student performances on the three labs: Density, Kinetic Theory and Chemical Reactions. Both groups completed pre-lab and post-lab quizzes and answered conceptual questions for each lab. Students also participated in a post-course quiz via email. Scores on all these assessments were compared using independent samples t tests.
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    Identifying students' misconceptions in writing balanced equations for dissolving ionic compounds in water and using multiple-choice questions at the symbolic and particulate levels to confront these misconceptions /
    (Middle Tennessee State University, 2012) Naah, Basil ; Chemistry
    Students who harbor misconceptions often find chemistry difficult to understand. To improve teaching about the dissolving process, first semester introductory chemistry students were asked to complete a free-response questionnaire on writing balanced equations for dissolving ionic compounds in water. To corroborate errors and misconceptions identified from students' generated balanced equations, another sample of students participated in semi-structured interviews where they were asked to explain their thought processes involved in writing the balanced equations for the dissolving ionic compounds dissolving in water. Misconceptions of the dissolving process were identified and described in detail. The most popular misconception was that water chemically reacts with an ionic compound through double displacement to form a metal oxide and an acid. The second popular misconception was that an ionic compound dissolves as neutral atoms or molecules. The third popular misconception was that students confused subscripts and coefficients.
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    ISOLATION AND ANALYSIS OF COMPOUNDS WITH ANTI-TRYPANOSOMAL AND ANTI-CANCER ACTIVITY
    (Middle Tennessee State University, 2016-07-31) Liyana Pathiranage, Anuradha ; Dunlap, Norma ; Handy, Scott ; Ding, Keying ; Altman, Elliot ; Farone, Mary ; Chemistry
    ABSTRACT
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    ISOLATION AND IDENTIFICATION OF BIOACTIVE COMPOUNDS FROM PLANT BASED TRADITIONAL CHINESE MEDICINE
    (Middle Tennessee State University, 2016-06-21) Wright, Matthew ; Dunlap, Norma ; Altman, Elliot ; Handy, Scott ; Wright, Stephen ; Burden, Donald ; Chemistry
    Plants used in Traditional Chinese Medicine (TCM), which have been cultivated and expanded for thousands of years, provide a rich source for screening bioactive compounds with modern assays. These plants have traditionally been proven to provide some activity in the treatment of human disease and with modern isolation techniques and manipulation of the plant metabolome, the bioactive compounds can be isolated and provide new leads in drug discovery. The project described in this work details the bioassay guiding fractionation of two plants, Scutellaria baicalensis and Cyclocarya paliurus. In addition to the bioassay guided fractionation, optimization into the isolation of the respective bioactive compounds for each plant was made in order to improve efficiency. Finally, in order to look at the expression profile of the polar fractions compared to the undesirable lipophilic fractions that occur in excess with normal plant based extracts, preliminary work was completed with cell culture studies in the plant Cichorium intybus.
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    Methods development for the characterization of mainstream bidi cigarette smoke and assessment of experiments for environmental analysis /
    (Middle Tennessee State University, 2005) Oladipupo, Omobola ; Chemistry
    The main goal of the first part of this work is to characterize the constituents of bidi mainstream smoke using Fourier Transform infrared spectrometry (FTIR), gas chromatography-mass spectrometry (GC-MS), and liquid chromatography-mass spectrometry (LC-MS) techniques. For the educational component, the objective is to develop and assess the effectiveness of two environmental chemistry laboratory experiments, namely, "FTIR Analysis of Mainstream Cigarette Smoke" and "Extraction of Organic Pollutants from Soil Samples for GC-MS Analysis" for undergraduate students.
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    Part A: the effect of the dimensions of learning model on the epistemological beliefs of students enrolled in general chemistry laboratory for post-baccalaureate pre-medical students and : part B: environmental quality survey utilizing TRI explorer and USGS water data and the analysis and characterization of particulate matter using scanning electron microsopy /
    (Middle Tennessee State University, 2006) Wallace, Darcie ; Chemistry
    The first part of this dissertation deals with the dimension of learning model was developed by Robert Marzano in response to a comprehensive research and theory based framework on cognition and learning. The strategy forms a background that can be used in instruction, curriculum, and assessment. The experimental group was exposed to the model and the control group was exposed to normal instruction for three lab activities in a summer general chemistry laboratory. The students were assessed for content knowledge via review of pre-laboratory and post-laboratory questions and for attitudinal changes via the Epistemological Beliefs Assessment for Physical Science Students. The study indicates that there were no attitudinal changes between the two groups. On the other hand, the instructional model is a variable technique, and the experimental group performed better on the post laboratory questions.
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    Part I. Analyzing the distribution of gas law questions in chemistry textbooks : Part II. {esc}p35{esc}sCl NQR spectra of group 1 and silver dichloromethanesulfonates /
    (Middle Tennessee State University, 2009) Gillette, Gabriel ; Chemistry
    Part I. Two studies involving the gas law questions in eight high school and Advanced Placement/college chemistry textbooks were performed using loglinear analysis to look for associations among six variables. These variables included Bloom's Taxonomy (higher-order, lower-order), Book Type (high school, college), Question Format (multiple-choice, problem, short answer), Question Placement (in-chapter, end-of-chapter, test bank), Representation (macroscopic, microscopic, symbolic), and Arkansas Science Standard (conceptual, mathematical; gas laws, pressure conversion, stoichiometry). The first study, involving the conceptual gas law questions, found the Book Type and Question Placement variables had the biggest impact, each appearing in 5 of the 11 significant associations. The second study, involving the mathematical gas law questions, found the Question Placement had the biggest impact, appearing in 7 of the 11 significant associations, followed by Book Type and the Arkansas Science Standard variables, which appeared in 5 of the 11 significant associations. These studies showed that compared to the high school books, college books have fewer multiple-choice questions (compared to short-answer and problem questions), fewer in-chapter questions (compared to end-of-chapter and test bank questions), fewer questions in the chapters and more questions at the end of the chapters and fewer multiple-choice questions in and at the end of the books and more multiple-choice questions in the test banks.
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    Part I. Synthesis and characterization of C{esc}b2{esc}s substituted imidazolium room temperature ionic liquids : Part II. Survey and analysis of organic chemistry text books /
    (Middle Tennessee State University, 2010) Ennis, Elliot ; Chemistry
    Part I. Among room temperature ionic liquids (RTILs), those derived from the imidazolium cation are the most common. RTILs have generally been viewed solely as solvents, but they are able to participate in certain types of reactions, particularly due to the relatively high acidity at the imidazolium C2. Deprotonation affords N-heterocyclic carbenes (NHCs), which can cause unwanted side reactions. Consequently, the major limitation of imidazolium RTILs is that they cannot be used as solvents in highly basic reactions such as the Baylis-Hillman and Grignard reactions. This work reveals a convenient route for the preparation of C2-substituted imidazolium ionic liquids. This method involves the alkylation of N-heterocyclic carbenes, which are readily generated from the C2-unsubstituted imidazolium ionic liquids. It works well for nonfunctionalized alkyl chlorides and less well for alkyl bromides and iodides, likely due to competing elimination reactions. The resulting C2-substituted salts can be transformed into ionic liquids via standard anion metathesis reactions.
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    Part I. Synthesis and characterization of donor-[pi]-acceptor compounds with pentadienyl-bridged indoline and tetrahydroquinoline donors and aldehyde and thiobarbituric acid acceptors : Part II. : Longitudinal study comparing online versus face-to-face course delivery in introductory chemistry /
    (Middle Tennessee State University, 2012) Greco, Patrick ; Chemistry
    Part I. The design and development of organic second-order nonlinear optical (NLO) materials have attracted much interest due to their applications in optoelectronic devices and modern communications technology. Donor-pi-acceptor compounds, D-(CH=CH)n-A, often exhibit hyperpolarizability that results in laser frequency doubling (second harmonic generation) and spectroscopic solvatochromism. To study the effect of donor amine geometry upon properties associated with second-order NLO behavior in simple donor-pi-acceptor compounds, equilibrium geometries and hyperpolarizabilities (beta) for donor-acceptor polyenes with amine donors were calculated at several levels of computational theory. Two new molecules with donors that only differ by one methylene group were chosen for comparison. Thus, 5-(N-methylindolin-5-yl)-2, 4-pentadienal (1a) and 5-(N-methyl-2, 3, 4-trihydroquinolin-6-yl)-2, 4-pentadienal (2a) were synthesized in two steps from starting materials described in the literature. These aldehydes were converted into stronger acceptors in one step to give diethylthiobarbituric acid derivatives 1c and 2c, as well as tricyanofuran derivatives 1d and 2d. Positive UV solvatochromism was observed in all three derivatives. NMR solvatochromism was most pronounced in 1c, and 2c vs. 1a and 2a as measured by changes in chemical shifts. Additionally, coupling constants showed more conjugation in 1c and 2c, where 1a and 2a showed less conjugation. Finally, differential scanning calorimetry and thermal gravimetric analysis were used to compare decomposition and melting temperatures of these compounds to determine their stability. Aldehydes, 1a and 2a had distinct melting points, while the 1c, 2c, 1d, and 2d derivatives decomposed at temperatures above 150 degrees C.
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    Part I: VIRTUAL LABORATORY versus TRADITIONAL LABORATORY: WHICH IS MORE EFFECTIVE FOR TEACHING ELECTROCHEMISTRY? Part II: THE GREEN SYNTHESIS OF AURONES USING A DEEP EUTECTIC SOLVENT
    (Middle Tennessee State University, 2013-06-12) Hawkins, Ian Christopher ; Phelps, Amy ; Handy, Scott ; Sanger, Michael ; Fuller, Dana ; Dunlap, Norma ; Chemistry
    The role of the teaching laboratory in science education has been debated over the last century. The goals and purposes of the laboratory are still debated and while most science educators consider laboratory a vital part of the education process, they differ widely on the purposes for laboratory and what methods should be used to teach laboratory. One method of instruction, virtual labs, has become popular among some as a possible way of capitalizing on the benefits of lab in a less costly and more time flexible format. The research regarding the use of virtual labs is limited and the few studies that have been done on General Chemistry labs do not use the virtual labs as a substitute for hands-on experiences, but rather as a supplement to a traditional laboratory program. This research seeks to determine the possible viability of a virtual simulation to replace a traditional hands-on electrochemistry lab in the General Chemistry II course sequence. The data indicate that for both content knowledge and the development of hands-on skills the virtual lab showed no significant difference in overall scores on the assessments, but that an individual item related to the physical set-up of a battery showed better scores for the hands-on labs over the virtual labs. Further research should be done to determine if these results are similar in other settings with the use of different virtual labs and how the virtual labs compare to other laboratories using different learning styles and learning goals.
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    A quantum chemical study of carbon monoxide adsorption on models of the Mg0 (001) surface.
    (Middle Tennessee State University, 1999) Long, Bryan ; Chemistry
    The adsorption of CO molecules on models of the MgO (001) surface was investigated using GAUSSIAN 92. Different sized cluster models and basis sets were used to determine the optimized geometries of the CO molecule, the dipole moment and the adsorption energy, and for some clusters, the surface geometry. Clusters of MgO one layer thick with nine atoms in the layer (3 x 3 x 1), one layer thick with twenty-five atoms in the layer (5 x 5 x 1), and two layers thick with nine atoms in each layer (3 x 3 x 2) were used as cluster models with the STO-3G, LANL1DZ and 3-21G* basis sets to determine the optimized CO position above the surface. These values were compared to values determined experimentally and by other computational models. The 3 x 3 x 1 cluster model with Mg or O as the central atom, the presence of an atom (possibly a defect) under the central atom, the charge on the cluster, and the orientation of the CO molecule were investigated for each basis set, and the results on the optimized geometry were compared.
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    Student success in intensive versus traditional introductory chemistry courses : synthesis of salts of the weakly coordinating trisphat anion /
    (Middle Tennessee State University, 2008) Hall, Mildred ; Chemistry
    Part I. Intensive courses have been shown to be associated with equal or greater student success than traditional-length courses in a wide variety of disciplines and education levels. Student records from intensive and traditional-length introductory general chemistry courses were analyzed to determine the effects, of the course format, the level of academic experience, life experience (age), GPA, academic major and gender on student success in the course. Pretest scores, GPA and ACT composite scores were used as measures of academic ability and prior knowledge; t-tests comparing the means of these variables were used to establish that the populations were comparable prior to the course. Final exam scores, total course points and pretest-posttest differences were used as measures of student success; t-tests were used to determine if differences existed between the populations. ANCOVA analyses revealed that student GPA, pretest scores and course format were the only variables tested that were significant in accounting for the variance of the academic success measures. In general, the results indicate that students achieved greater academic success in the intensive-format course, regardless of the level of academic experience, life experience, academic major or gender.