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Mississippi State University
1.
Suwandaratne, Nuwanthi Savindrika.
Evaluation of thiol Raman activities and pKa values using internally referenced Raman-based pH titration.
Degree: MS, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03092016-173826/
;
► Thiols are one of the most important classes of chemicals used broadly in organic synthesis, biological chemistry, and nanosciences. Thiol pKa values are key…
(more)
▼ Thiols are one of the most important classes of chemicals used broadly in organic synthesis, biological chemistry, and nanosciences. Thiol pK
a values are key indicators of thiol reactivity and functionality. This study is an internally-referenced Raman-based pH titration method that enables reliable quantification of thiol pK
a values for both mono- and di-thiols in water. The degree of thiol ionization is monitored directly using the peak intensity of the S-H stretching feature relative to an internal reference peak as a function of solution pH. The thiol pK
a values and Raman activity relative to its internal reference were then determined by curve-fitting the experimental data with equations derived on the basis of the Henderson-Hasselbalch equation. Using this Raman titration method, first and second thiol pK
a values for 1,2-benzenedithol in water were determined for the first time. This method is convenient to implement and its underlying theory is easy to follow.
Advisors/Committee Members: Dongmao Zhang (chair), David O. Wipf (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: thiol; pKa; titration; Raman; pH titration
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APA (6th Edition):
Suwandaratne, N. S. (2016). Evaluation of thiol Raman activities and pKa values using internally referenced Raman-based pH titration. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03092016-173826/ ;
Chicago Manual of Style (16th Edition):
Suwandaratne, Nuwanthi Savindrika. “Evaluation of thiol Raman activities and pKa values using internally referenced Raman-based pH titration.” 2016. Masters Thesis, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-03092016-173826/ ;.
MLA Handbook (7th Edition):
Suwandaratne, Nuwanthi Savindrika. “Evaluation of thiol Raman activities and pKa values using internally referenced Raman-based pH titration.” 2016. Web. 16 Apr 2021.
Vancouver:
Suwandaratne NS. Evaluation of thiol Raman activities and pKa values using internally referenced Raman-based pH titration. [Internet] [Masters thesis]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03092016-173826/ ;.
Council of Science Editors:
Suwandaratne NS. Evaluation of thiol Raman activities and pKa values using internally referenced Raman-based pH titration. [Masters Thesis]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03092016-173826/ ;

Mississippi State University
2.
Ulpanhewa Vidanalage, Sandamini Heshani Alahakoon.
Deprotonation as a unified pathway for organothiol binding to citrate- and borohydride- reduced gold nanoparticles.
Degree: MS, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-110620/
;
► The mechanism of organothiol (OT) binding to gold has remained controversial for decades. There are three mechanisms proposed for OT binding to gold surfaces.…
(more)
▼ The mechanism of organothiol (OT) binding to gold has remained controversial for decades. There are three mechanisms proposed for OT binding to gold surfaces. The first is the radical pathway in which the sulfur-bound hydrogen atoms (RS-H) are released as hydrogen atoms which eventually converted into hydrogen gas. Second is the deprotonation pathway in which the sulfur-bound hydrogen atoms leave as protons. Third is direct adsorption in which the RS-H bonds remain intact on the gold surface. This study demonstrates a combined pH and surface enhanced Raman spectroscopic study of organothiol binding to citrate- and borohydride-reduced gold nanoparticles (AuNPs) in polar (water), moderately polar (dichloromethane), and nonpolar (toluene,hexane) solvents. Thiol deprotonation provides a unified pathway for OT binding to AuNPs regardless of solvent polarity of the ligand binding solutions. This work should contribute to resolve the long-standing debate on the fate of the sulfur-bound hydrogen of organothiols self-assembled on gold.
Advisors/Committee Members: Dongmao Zhang (chair), David O. Wipf (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: gold nanoparticles; deprotonation; organothiols
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APA (6th Edition):
Ulpanhewa Vidanalage, S. H. A. (2016). Deprotonation as a unified pathway for organothiol binding to citrate- and borohydride- reduced gold nanoparticles. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-110620/ ;
Chicago Manual of Style (16th Edition):
Ulpanhewa Vidanalage, Sandamini Heshani Alahakoon. “Deprotonation as a unified pathway for organothiol binding to citrate- and borohydride- reduced gold nanoparticles.” 2016. Masters Thesis, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-110620/ ;.
MLA Handbook (7th Edition):
Ulpanhewa Vidanalage, Sandamini Heshani Alahakoon. “Deprotonation as a unified pathway for organothiol binding to citrate- and borohydride- reduced gold nanoparticles.” 2016. Web. 16 Apr 2021.
Vancouver:
Ulpanhewa Vidanalage SHA. Deprotonation as a unified pathway for organothiol binding to citrate- and borohydride- reduced gold nanoparticles. [Internet] [Masters thesis]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-110620/ ;.
Council of Science Editors:
Ulpanhewa Vidanalage SHA. Deprotonation as a unified pathway for organothiol binding to citrate- and borohydride- reduced gold nanoparticles. [Masters Thesis]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-110620/ ;

Mississippi State University
3.
Nugaduwa Vithanage, Buddhini C.
Structures and optical properties: UV-vis, fluorescence, and polarized resonance synchronous spectroscopy study of porphyrin assembly and disassembly.
Degree: MS, Chemistry, 2018, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-05072018-144517/
;
► With their unique photochemical properties, porphyrins have remained a central research topic for decades. Porphyrins can self-assemble into tubular structures at acidic pHs. However, the…
(more)
▼ With their unique photochemical properties, porphyrins have remained a central research topic for decades. Porphyrins can self-assemble into tubular structures at acidic pHs. However, the possibility of the disassembly of the aggregated porphyrin has not been investigated. Furthermore, quantitative understanding of the porphyrin optical activities is complicated by the complex interplay of the photon absorption, scattering, and fluorescence emission that can concurrently occur in porphyrin samples. Using meso- Tetrakis (4-sulfonato phenyl) porphyrin (TPPS) as the model molecule, discussed herein is combined UV-vis extinction, Stokes-shifted fluorescence, and polarized resonance synchronous spectroscopy (PRS2) study of porphyrin assembly and disassembly at acidic solutions. A series of optical constants, including photon absorption, scattering, and fluorescence emission cross-sections as well as its fluorescence and light scattering depolarizations has been quantified. Compared to UV-vis and SSF methods, the PRS2 is significantly more sensitivity in the detection of both concentration- and time-dependent porphyrin aggregation.
Advisors/Committee Members: Dongmao Zhang (chair), David O. Wipf (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: porphyrins; scattering; fluorescence emission; depolarization
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APA (6th Edition):
Nugaduwa Vithanage, B. C. (2018). Structures and optical properties: UV-vis, fluorescence, and polarized resonance synchronous spectroscopy study of porphyrin assembly and disassembly. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-05072018-144517/ ;
Chicago Manual of Style (16th Edition):
Nugaduwa Vithanage, Buddhini C. “Structures and optical properties: UV-vis, fluorescence, and polarized resonance synchronous spectroscopy study of porphyrin assembly and disassembly.” 2018. Masters Thesis, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-05072018-144517/ ;.
MLA Handbook (7th Edition):
Nugaduwa Vithanage, Buddhini C. “Structures and optical properties: UV-vis, fluorescence, and polarized resonance synchronous spectroscopy study of porphyrin assembly and disassembly.” 2018. Web. 16 Apr 2021.
Vancouver:
Nugaduwa Vithanage BC. Structures and optical properties: UV-vis, fluorescence, and polarized resonance synchronous spectroscopy study of porphyrin assembly and disassembly. [Internet] [Masters thesis]. Mississippi State University; 2018. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-05072018-144517/ ;.
Council of Science Editors:
Nugaduwa Vithanage BC. Structures and optical properties: UV-vis, fluorescence, and polarized resonance synchronous spectroscopy study of porphyrin assembly and disassembly. [Masters Thesis]. Mississippi State University; 2018. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-05072018-144517/ ;

Mississippi State University
4.
Famiyeh, Lord.
Analysis of complex volatile organic compound mixtures using active SPME-GC-MS.
Degree: MS, Chemistry, 2015, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04012015-091035/
;
► The ultimate goal of this research is to develop an efficient, reproducible and low cost method for analysis of VOCs in complex mixtures such…
(more)
▼ The ultimate goal of this research is to develop an efficient, reproducible and low cost method for analysis of VOCs in complex mixtures such as those in exhaled breath and in headspace of fungi cultures. In Chapter I; analytical methods for volatile biomarkers identification is reviewed
In Chapter II, active SPME GCMS was employed to analyze VOCs in the breath of a single healthy male and a single female. The goal was to determine the extent of intra-individual variations in the VOC profiles.
In Chapter III, a preliminary study was carried out in a greenhouse to determine the pathogenicity of different isolates of M. phaseolina on soybeans. This will allow, in future studies, the matching of VOC profiles of different isolates of M. phaseolina with their relative pathogenicity. This is a key step towards the development of an early warning system for the detection of pathogenic M. phaseolina fungus contaminations.
Advisors/Committee Members: Dr. Todd E. Mlsna (chair), Dr. David O. Wipf (committee member), Dr. Joseph P. Emerson (committee member).
Subjects/Keywords: pathogenicity; greenhouse; M. phaseolina; isolates; active SPME GCMS; biomarkers; fungi cultures; headspace; exhaled breath; VOC
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APA ·
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APA (6th Edition):
Famiyeh, L. (2015). Analysis of complex volatile organic compound mixtures using active SPME-GC-MS. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-04012015-091035/ ;
Chicago Manual of Style (16th Edition):
Famiyeh, Lord. “Analysis of complex volatile organic compound mixtures using active SPME-GC-MS.” 2015. Masters Thesis, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-04012015-091035/ ;.
MLA Handbook (7th Edition):
Famiyeh, Lord. “Analysis of complex volatile organic compound mixtures using active SPME-GC-MS.” 2015. Web. 16 Apr 2021.
Vancouver:
Famiyeh L. Analysis of complex volatile organic compound mixtures using active SPME-GC-MS. [Internet] [Masters thesis]. Mississippi State University; 2015. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04012015-091035/ ;.
Council of Science Editors:
Famiyeh L. Analysis of complex volatile organic compound mixtures using active SPME-GC-MS. [Masters Thesis]. Mississippi State University; 2015. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04012015-091035/ ;

Mississippi State University
5.
Bao, Zhenghong.
Dry Reforming of Methane to Produce Syngas over Ni-based Bimodal Pore Catalysts.
Degree: PhD, Agricultural and Biological Engineering, 2017, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-09202017-170312/
;
► Dry reforming of methane is an important reaction to generate syngas from two greenhouse gases. The syngas can be used in Fishcher-Tropsch synthesis to…
(more)
▼ Dry reforming of methane is an important reaction to generate syngas from two greenhouse gases. The syngas can be used in Fishcher-Tropsch synthesis to produce value-added chemicals.
Chapter I reviews the catalytic conversion of methane and carbon dioxide to syngas, including DRM reaction chemistry, catalysts used in this process, catalyst deactivation, and the kinetics of DRM reaction.
Chapter II discusses the development of bimodal pore NiCeMgAl catalysts for DRM reaction. Bimodal pore NiCeMgAl catalysts were synthesized via the refluxed co-precipitation method and systematically investigated the influence of active metal loading, calcination temperature, reduction temperature and gas hourly space velocity (GHSV) on the catalytic performance of DRM reaction. The Ni15CeMgAl sample with 15 wt% NiO loading was found to be active enough at 750 °C with a high CH4 conversion of 96.5%. The proper reduction temperature for the NiCeMgAl catalyst is either 550650 °C or 850 °C. Higher calcination temperature favors the formation of NiAl2O4 and MgAl2O4 spinel structures. Compared with non-bimodal pore NiCeMgAl catalyst, bimodal pore NiCeMgAl catalyst has a longer stability in the feed gas without dilution.
In chapter III, the kinetic behavior of bimodal pore NiCeMgAl catalyst for DRM reaction was investigated after the elimination of external and internal diffusion effects in a fixed-bed reactor as a function of temperature and partial pressures of reactants and products. A Langmuir-Hinshelwood model was developed assuming that the carbon deposition is ignorable but the RWGS reaction is non-ignorable and the removal of adsorbed carbon intermediate is the rate-determining step. A nonlinear least-square method was applied to solve the kinetic parameters. The derived kinetic expression fits the experimental data very well with a R2 above 0.97, and predicts the products flow rate satisfactorily.
Chapter IV documents the results of in situ XRD study on the NiMgAl catalyst for DRM reaction. The phase evolution of a NiMgAl oxide catalyst at the reduction stage was qualitatively analysed and quantitatively determined by employing the continuous changes in XRD intensity and TPR information. The stable crystallite size of both active metal and spinel support is responsible for the long stability of NiMgAl catalyst without carbon deposition during the DRM reaction.
Advisors/Committee Members: Fei Yu (chair), Suminto D. Filip To (committee member), Lauren B. Priddy (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: in situ XRD; kinetics; bimodal pore; Ni-based catalyst; syngas; Dry reforming of methane
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Bao, Z. (2017). Dry Reforming of Methane to Produce Syngas over Ni-based Bimodal Pore Catalysts. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-09202017-170312/ ;
Chicago Manual of Style (16th Edition):
Bao, Zhenghong. “Dry Reforming of Methane to Produce Syngas over Ni-based Bimodal Pore Catalysts.” 2017. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-09202017-170312/ ;.
MLA Handbook (7th Edition):
Bao, Zhenghong. “Dry Reforming of Methane to Produce Syngas over Ni-based Bimodal Pore Catalysts.” 2017. Web. 16 Apr 2021.
Vancouver:
Bao Z. Dry Reforming of Methane to Produce Syngas over Ni-based Bimodal Pore Catalysts. [Internet] [Doctoral dissertation]. Mississippi State University; 2017. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-09202017-170312/ ;.
Council of Science Editors:
Bao Z. Dry Reforming of Methane to Produce Syngas over Ni-based Bimodal Pore Catalysts. [Doctoral Dissertation]. Mississippi State University; 2017. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-09202017-170312/ ;

Mississippi State University
6.
Rahman, Mohammad Azizur.
In situ induction heating of electrodes and applications.
Degree: MS, Chemistry, 2018, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06262018-160012/
;
► This thesis describes the fabrication of an induction heating apparatus and its use to directly heat small platinum and gold electrodes in electrolyte solution. The…
(more)
▼ This thesis describes the fabrication of an induction heating apparatus and its use to directly heat small platinum and gold electrodes in electrolyte solution. The heating characteristics of the electrodes were studied via the entropic shift of redox potential with temperature and change in Faradaic current. Temperature pulse voltammetry (TPV) and cyclic voltammetry were used for temperature calibration under various heating conditions. The maximum temperature reached at a 0.25 mm diam platinum electrode surface in solution was 84 degrees C. At heated electrodes an increase in current was found to be due to convection and diffusion. TPV was performed with inductively heated gold (0.5 mm diam) and platinum electrodes, which gave complete current-potential-temperature information. Induction heated Pt electrodes were employed to investigate the kinetics and mass transfer process of oxygen reduction reaction (ORR) in acidic and alkaline media.
Advisors/Committee Members: Dr. David O. Wipf (chair), Dr. Todd E. Mlsna (committee member), Dr. Joseph P. Emerson (committee member).
Subjects/Keywords: oxygen reduction reaction (ORR); inductively heated platinum and gold electrode; cyclic voltammetry; Temperature pulse voltammetry (TPV)
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APA ·
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MLA ·
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APA (6th Edition):
Rahman, M. A. (2018). In situ induction heating of electrodes and applications. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06262018-160012/ ;
Chicago Manual of Style (16th Edition):
Rahman, Mohammad Azizur. “In situ induction heating of electrodes and applications.” 2018. Masters Thesis, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06262018-160012/ ;.
MLA Handbook (7th Edition):
Rahman, Mohammad Azizur. “In situ induction heating of electrodes and applications.” 2018. Web. 16 Apr 2021.
Vancouver:
Rahman MA. In situ induction heating of electrodes and applications. [Internet] [Masters thesis]. Mississippi State University; 2018. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06262018-160012/ ;.
Council of Science Editors:
Rahman MA. In situ induction heating of electrodes and applications. [Masters Thesis]. Mississippi State University; 2018. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06262018-160012/ ;

Mississippi State University
7.
Hu, Jin.
Catalytic conversion of model biomass-derived syngas to hydrocarbons via Fischer-Tropsch synthesis.
Degree: PhD, Agricultural and Biological Engineering, 2014, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07032014-022038/
;
► Biomass to Liquids via Fischer-Tropsch synthesis (BTL-FT) is regarded as one of the most promising routes for providing alternative solution to growing demand for…
(more)
▼ Biomass to Liquids via Fischer-Tropsch synthesis (BTL-FT) is regarded as one of the most promising routes for providing alternative solution to growing demand for energy and environmental protection. In Chapter I, the development and key issues of BTL-FT process (especially Fischer-Tropsch synthesis) were reviewed and identified.
In Chapter II, Mo/HZSM-5 catalyst was synthesized using Incipient Wetness Impregnation method and tested in nitrogen rich model bio-syngas. Different operation parameters (temperature, pressure, and GHSV) were tested to investigate their influence on the catalytic performance. Those parameters were found to affect the performance significantly. Liquid samples from conversion were mainly composed of C
8 to C
10 range hydrocarbons. The catalyst characterization revealed that molybdenum species were well distributed on the catalyst support, while dealumination, agglomeration and coke deposition were observed in spent catalyst. The top layer of the spent catalyst had the most coke deposition.
A Three-Dimensionally Ordered Macro-porous (3DOM) Fe based Fischer-Tropsch catalyst was developed using a facile <i>in-situ</i> Nitrate Oxidation-PMMA templating technique in Chapter III. Several techniques (including SEM, BET, TPR, HRTEM, XRD, XPS, and DRIFTS) were combined to characterize the morphology, textural properties and microstructures of 3DOM Fe catalysts at different stages. The effects of bio-syngas composition on carbonaceous species formation, iron phase transformation and catalytic performance were investigated and correlated.
A novel hybrid bio-refinery process co-converting biomass and natural gas into liquid fuels <i>via</i> FTS with a CO
2 recycle loop was developed, modeled and simulated by using Aspen Plus in Chapter IV. The Aspen Plus model utilized experimental data from the 3DOM Fe catalyst. Economic analysis was performed on different scenarios based on the simulation results to determine profitability of the process. Results indicated that 102.65 t/h gasoline and 22.93 t/h diesel can be produced with the co-processing of 100.00 t/h biomass and 112.3 t/h natural gas using 307.78 t/h of recycled CO
2 in the process simulation. The carbon conversion rate was estimated to be 81.23% for the hybrid process. Economic analysis revealed that the process can be profitable when using at least 10.00 t/h biomass and 11.23 t/h natural gas.
Advisors/Committee Members: Fei Yu (chair), Todd E. Mlsna (committee member), Radhakrishnan Srinivasan (committee member), Filip Suminto D. To (committee member).
Subjects/Keywords: natural gas; biomass; process design; techno-economic analysis; simulation; aspen plus; hybrid process; syngas; catalysis; fischer-tropsch synthesis
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Hu, J. (2014). Catalytic conversion of model biomass-derived syngas to hydrocarbons via Fischer-Tropsch synthesis. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-07032014-022038/ ;
Chicago Manual of Style (16th Edition):
Hu, Jin. “Catalytic conversion of model biomass-derived syngas to hydrocarbons via Fischer-Tropsch synthesis.” 2014. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-07032014-022038/ ;.
MLA Handbook (7th Edition):
Hu, Jin. “Catalytic conversion of model biomass-derived syngas to hydrocarbons via Fischer-Tropsch synthesis.” 2014. Web. 16 Apr 2021.
Vancouver:
Hu J. Catalytic conversion of model biomass-derived syngas to hydrocarbons via Fischer-Tropsch synthesis. [Internet] [Doctoral dissertation]. Mississippi State University; 2014. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07032014-022038/ ;.
Council of Science Editors:
Hu J. Catalytic conversion of model biomass-derived syngas to hydrocarbons via Fischer-Tropsch synthesis. [Doctoral Dissertation]. Mississippi State University; 2014. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07032014-022038/ ;

Mississippi State University
8.
Street, Jason Tyler.
Production of hydrocarbons from gasified biomass using bifunctional cata.
Degree: PhD, Agricultural and Biological Engineering, 2014, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06192014-211534/
;
► The following chapters deal with the chemistry, catalytic poisoning, newer catalyst technologies, and possible future solutions to increase the efficiency of creating high-value products…
(more)
▼ The following chapters deal with the chemistry, catalytic poisoning, newer
catalyst technologies, and possible future solutions to increase the efficiency of creating
high-value products by thermochemically converting gasified biomass (producer gas).
Chapter 1 puts emphasis on multifunctional catalysts containing transition metals that are
used for renewable fuel production. High-value products such as gasoline-range
hydrocarbons, dimethyl ether (DME), aldehydes, isobutane, isobutene and other olefins
can be produced with gasified biomass due to the gas containing syngas (H
2 + CO). The
chemistry and production of these chemicals is discussed in the review. Chapter 2
describes the reactor design of a bench scale system and results after using a Mo/HZSM-
5 catalyst for aromatic hydrocarbon creation. This chapter also discusses issues that
came with trying to control the temperature without any reactor intercooling. Chapter 3
shows the feasibility of using a particular multifunctional catalyst with a lab scale system
and also shows the importance of certain process variables including temperature, space
velocity, gas ratios, and pressure. The subject of the importance of the cleanliness of the
producer gas is also discussed so that maximum high-value product yield can be achieved
with the greatest efficiency. Chapter 4 discusses the implementation of a bench scale and
pilot scale reactor design (both with intercooling) and the results of scale-up when using
the catalyst mentioned in Chapter 3. Chapter 5 involves the modelling of an
industrialized system with Aspen Plus. The economics of industrial plants to produce
hydrocarbons from coal or wood feedstocks at scales of 5, 50 and 5000 tons per day were
modeled using CAPCOST.
Advisors/Committee Members: Fei Yu (chair), Todd E. Mlsna (committee member), Radhakrishnan Srinivasan (committee member), Filip Suminto D. To (committee member).
Subjects/Keywords: biomass; gasification; syngas; Fischer-Tropsch; bifunctional catalysts; economics; modeling; Aspen Plus; CapCost
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Street, J. T. (2014). Production of hydrocarbons from gasified biomass using bifunctional cata. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06192014-211534/ ;
Chicago Manual of Style (16th Edition):
Street, Jason Tyler. “Production of hydrocarbons from gasified biomass using bifunctional cata.” 2014. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06192014-211534/ ;.
MLA Handbook (7th Edition):
Street, Jason Tyler. “Production of hydrocarbons from gasified biomass using bifunctional cata.” 2014. Web. 16 Apr 2021.
Vancouver:
Street JT. Production of hydrocarbons from gasified biomass using bifunctional cata. [Internet] [Doctoral dissertation]. Mississippi State University; 2014. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06192014-211534/ ;.
Council of Science Editors:
Street JT. Production of hydrocarbons from gasified biomass using bifunctional cata. [Doctoral Dissertation]. Mississippi State University; 2014. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06192014-211534/ ;

Mississippi State University
9.
Williams, Jarquees.
Electrochemical studies of hexahapto-dibenzo[a,e]cyclooctatetraene complexes of chromiumtricarbonyl and cationic manganesetricarbonyl.
Degree: MS, Chemistry, 2014, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272014-104811/
;
► Electrochemical behavior of mono- and bimetallic chromiumtricarbonyl and cationic manganesetricarbonyl of fluxional dibenzo[a,e]cyclooctatetraene (DBCOT) complexes were studied via cyclic voltammetry over a range of…
(more)
▼ Electrochemical behavior of mono- and bimetallic chromiumtricarbonyl and cationic manganesetricarbonyl of fluxional dibenzo[a,
e]cyclooctatetraene (DBCOT) complexes were studied via cyclic voltammetry over a range of scan rates (20 2000 mV/s) and temperatures (0 °C and 25 °C). The presented work displays electrochemical reduction mechanisms associated with eight-membered ring coordinated M(CO)
3 systems that undergo rapid ring inversion in solution.
The electrochemical studies of these complex systems exhibit comparitively similar behaviors, which suggest relatively undifferentiated mechanisms. Slight differences between the chromium and isoelectronic cationic manganese are seen in their chemical reactions in solution and the potential at which they reduce.
The significance of the electrochemical studies of these complexes are justified by their potential contribution to nanotechnology considering the possibility of generating a cylindrical nanostructure containing the tub-shaped eight-membered ring ð-coordinated M(CO)
3 system. The high probability of a haptotropic shift to the eight-membered ring upon reduction could prove to be beneficial to electrocatalysis.
Advisors/Committee Members: David O. Wipf (committee member), Joseph P. Emerson (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: Dibenzocyclooctatetraene; cyclic voltammetry; arenechromumtricarbonyl; organometallic synthesis; arenemanganesetricarbonyl; bischromiumtricarbonyl
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APA (6th Edition):
Williams, J. (2014). Electrochemical studies of hexahapto-dibenzo[a,e]cyclooctatetraene complexes of chromiumtricarbonyl and cationic manganesetricarbonyl. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272014-104811/ ;
Chicago Manual of Style (16th Edition):
Williams, Jarquees. “Electrochemical studies of hexahapto-dibenzo[a,e]cyclooctatetraene complexes of chromiumtricarbonyl and cationic manganesetricarbonyl.” 2014. Masters Thesis, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272014-104811/ ;.
MLA Handbook (7th Edition):
Williams, Jarquees. “Electrochemical studies of hexahapto-dibenzo[a,e]cyclooctatetraene complexes of chromiumtricarbonyl and cationic manganesetricarbonyl.” 2014. Web. 16 Apr 2021.
Vancouver:
Williams J. Electrochemical studies of hexahapto-dibenzo[a,e]cyclooctatetraene complexes of chromiumtricarbonyl and cationic manganesetricarbonyl. [Internet] [Masters thesis]. Mississippi State University; 2014. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272014-104811/ ;.
Council of Science Editors:
Williams J. Electrochemical studies of hexahapto-dibenzo[a,e]cyclooctatetraene complexes of chromiumtricarbonyl and cationic manganesetricarbonyl. [Masters Thesis]. Mississippi State University; 2014. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272014-104811/ ;

Mississippi State University
10.
Gunatilake, Sameera Ranmal.
mproved methods for the analysis of estrogen residues in environmental aqueous matrices.
Degree: PhD, Chemistry, 2014, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10092014-144322/
;
► Improved analytical methods using novel cleanup techniques and inexpensive instrumentation for the determination of residue estrogens in municipal wastewater and swine lagoon wastewater have…
(more)
▼ Improved analytical methods using novel cleanup techniques and inexpensive instrumentation for the determination of residue estrogens in municipal wastewater and swine lagoon wastewater have been developed. Presented approaches are less expensive, less time consuming, yet produce comparable detection limits and extraction efficiencies to existing methods. Chapter I provides an overview on environmental estrogens.
Chapter II describes a novel method to quantify five estrogens including estriol, estrone, 17alpha-estradiol, 17beta-estradiol, and 17alpha-ethynylestradiol in influent and effluent municipal wastewater. The method includes sample preparation using solid-phase extraction followed by a QuEChERS cleanup, dansylation and LC/MS/MS detection. Hydrophilic-lipophilic balance solid phase extraction (SPE) was used for sample preconcentration and the extract was cleaned up using a dispersive SPE method using MgSO
4, PSA and C-18. The resulting extract was then derivatized with dansyl chloride. Separation was achieved on a C-18 column and quantification was accomplished in the positive ion mode using multiple reaction monitoring. The method is capable of detecting below 1 ng/L.
Chapter III describes improved approaches to quantify five estrogens and two conjugates, Estrone 3-glucuronide and beta-Estradiol 3-sulfate, in swine lagoon wastewater and storm water runoff. A considerable residue was collected when lagoon wastewater samples were centrifuged therefore both resulting residues and aqueous portions were analyzed separately. Analysis of the aqueous portions was carried out using a similar approach to the method described in Chapter II. However, a simple test-tube liquid-liquid extraction was used as an additional sample clean-up step. A modified QuEChERS method was utilized to efficiently extract the target analytes in the residue. Methods have 0.9 2 ng/L detection limits.
Chapter IV describes an approach to quantify residue estrogens in municipal wastewater using a comprehensive two-dimensional gas chromatograph (GCxGC). This method requires no further cleanups after SPE and has detection limits ranging from 1.4 22.2 ng/L. All presented methods use relatively small initial sample volumes and produce negligible matrix interferences. The developed methods were validated by performing mini surveys on the estrogen levels in environmental aqueous matrices in north
Mississippi.
Advisors/Committee Members: Todd E. Mlsna (chair), David O. Wipf (committee member), Dongmao Zhang (committee member), Svein Saebo (committee member), Jose M. Rodriguez (committee member).
Subjects/Keywords: Residue analysis; Solid phase extraction; Liquid chromatography; Tandem mass spectrometry; Comprehensive two-dimensional gas chromatography; Endocrine disruptors
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Gunatilake, S. R. (2014). mproved methods for the analysis of estrogen residues in environmental aqueous matrices. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10092014-144322/ ;
Chicago Manual of Style (16th Edition):
Gunatilake, Sameera Ranmal. “mproved methods for the analysis of estrogen residues in environmental aqueous matrices.” 2014. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10092014-144322/ ;.
MLA Handbook (7th Edition):
Gunatilake, Sameera Ranmal. “mproved methods for the analysis of estrogen residues in environmental aqueous matrices.” 2014. Web. 16 Apr 2021.
Vancouver:
Gunatilake SR. mproved methods for the analysis of estrogen residues in environmental aqueous matrices. [Internet] [Doctoral dissertation]. Mississippi State University; 2014. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10092014-144322/ ;.
Council of Science Editors:
Gunatilake SR. mproved methods for the analysis of estrogen residues in environmental aqueous matrices. [Doctoral Dissertation]. Mississippi State University; 2014. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10092014-144322/ ;

Mississippi State University
11.
Baron, Verna B.
A synthetic approach to the biflavonoids chamaejasmine and isochamaejasmine.
Degree: PhD, Chemistry, 2014, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10232014-160603/
;
► Biflavonoids form a ubiquitous class of compounds in nature, which are well known for their numerous medicinal benefits. Biflavonoids such as chamaejasmine and isochamaejasmine…
(more)
▼ Biflavonoids form a ubiquitous class of compounds in nature, which are well known for their numerous medicinal benefits. Biflavonoids such as chamaejasmine and isochamaejasmine have been shown to exhibit pharmacological activity such as anitidiabetic, anti-malaria, anti- HIV, anticancer etc. Biflavanones, chamaejasmine and isochamaejasmine are dimers of the flavanone narigenin at the C-3 position, which gives them a rare 3/3" C - C linkage. They are structurally similar in that they both have four stereocenters. The difference between these two compounds is the stereochemistry at the C-2" and C-3". In this study, installation of each of these stereocenters will be targeted at different stages of the synthesis.
Installation of the stereocenters at C-2 and C-3 was achieved through the cyclopropanation of a 2-aryl-<i>2H</i>-chromene, followed by the tin (II) triflate catalyzed rearrangement of the cyclopropane into a gamma-lactone. This gamma-lactone provided the core structure for one of the flavanone units in the targeted biflavonoids, as well as providing the building block for the second flavanone unit.
For the construction of the second flavanone unit the gamma-lactone was transformed into a chalcone precursor, which served as the platform for the installation of the other two stereocenters in the biflavonoids. The construction of the chalcone precursor was achieved first through the synthesis of an alpha-benzylidene lactone. Several attempts were made to open this alpha-benzylidene lactone via the addition of an aryllithium, which proved to be a challenge. This problem was resolved through the opening of the alpha-benzylidene lactone via reduction with Red-Al, subsequent formation of an aldehyde, and then addition of the aryllithium to the aldehyde. Successful synthesis of the chalcone precursor was achieved through the oxidation of the product of the aryllithium addition, albeit in a modest yield (43 %).
Herein, studies related towards the synthesis of chamaejasmine and isochamaejasmine are presented.
Advisors/Committee Members: Joseph P. Emerson (committee member), T. Keith Hollis (committee member), Debra Ann Mlsna (committee member), Todd E. Mlsna (committee member), Keith T. Mead (chair).
Subjects/Keywords: isochamaejasmine; cyclopropanation; biflavonoids; biflavanones; chamaejasmine
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Baron, V. B. (2014). A synthetic approach to the biflavonoids chamaejasmine and isochamaejasmine. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10232014-160603/ ;
Chicago Manual of Style (16th Edition):
Baron, Verna B. “A synthetic approach to the biflavonoids chamaejasmine and isochamaejasmine.” 2014. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10232014-160603/ ;.
MLA Handbook (7th Edition):
Baron, Verna B. “A synthetic approach to the biflavonoids chamaejasmine and isochamaejasmine.” 2014. Web. 16 Apr 2021.
Vancouver:
Baron VB. A synthetic approach to the biflavonoids chamaejasmine and isochamaejasmine. [Internet] [Doctoral dissertation]. Mississippi State University; 2014. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10232014-160603/ ;.
Council of Science Editors:
Baron VB. A synthetic approach to the biflavonoids chamaejasmine and isochamaejasmine. [Doctoral Dissertation]. Mississippi State University; 2014. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10232014-160603/ ;

Mississippi State University
12.
Wijayapala, Hevagamage Rangana Thilan.
Catalytic conversion of biomass to bio-fuels.
Degree: PhD, Chemistry, 2014, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10292014-171413/
;
► The conversion of biomass to bio-fuel has received considerable attention as a sustainable way to produce energy. As worldwide fossil fuels become depleted these…
(more)
▼ The conversion of biomass to bio-fuel has received considerable attention as a sustainable way to produce energy. As worldwide fossil fuels become depleted these efforts grow in importance. The overall strategy is to transform the parent biomass feedstock to increase C-C bonds while reducing oxygen in the final products. A catalytic approach is often used to achieve good yields of transportation grade liquid hydrocarbons from biomass. Development of novel catalyst systems to aid in the thermochemical conversion of biomass to bio-fuel is the focus of this thesis.
Gasification of biomass produces synthesis gas (CO and H
2). Synthesis gas can be converted to liquid hydrocarbons using Fischer-Tropsch (FT) synthesis. Mo/ZSM-5 FT catalysts with a potassium (K) promoter are introduced to enhance liquid hydrocarbon production and CO conversion of synthesis gas. Liquid products and CO conversion were determined using GC-MS analysis with respect to changes in K loading from 0-2%. The highest liquid product selectivity (21.7%) was found with 1.0% K loading while largest CO conversion (63%) was found with 1.2% K loading.
This catalyst work was extended by introducing Ni and Co into the Mo/ZSM-5 catalysts. A copper based water gas shift catalyst (WGS) was also used in concert with the FT catalyst to improve product selectivity. This WGS catalyst promotes the in-situ production of H2 while decreasing water content. The FT+WGS catalyst were used to convert both 1:1 CO: H
2 syngas and bio-syngas at 280 °C and 350 °C. The liquid hydrocarbon selectivity was significantly changed and the CO conversion was remarkably increased compared to the reactions without the dual catalyst at both temperatures.
In the fourth chapter, FT+WGS catalysts were studied for upgrading bio-oil model compounds. Guaiacol and furfural were used as the model compounds and upgrading reactions were done under H
2, syngas and bio-syngas at 200, 250 and 300 °C. Significant conversion of both guaiacol (85%) and furfural (100%) occurred with syngas at 300 °C. Products upgraded from syngas had a higher combined heat of combustion than the products with pure H2. This suggests the incorporation of some C from CO with model compound upgrading reactions with syngas.
Advisors/Committee Members: Dr Todd E. Mlsna (chair), Dr. David O. Wipf (committee member), Dr. Dongmao Zhang (committee member), Dr. Svein Saebo (committee member), Dr. Fei Yu (committee member).
Subjects/Keywords: Water gas shift reaction; Biomass to liquid; Heterogeneous catalyst; FischerTropsch synthesis
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Wijayapala, H. R. T. (2014). Catalytic conversion of biomass to bio-fuels. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10292014-171413/ ;
Chicago Manual of Style (16th Edition):
Wijayapala, Hevagamage Rangana Thilan. “Catalytic conversion of biomass to bio-fuels.” 2014. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10292014-171413/ ;.
MLA Handbook (7th Edition):
Wijayapala, Hevagamage Rangana Thilan. “Catalytic conversion of biomass to bio-fuels.” 2014. Web. 16 Apr 2021.
Vancouver:
Wijayapala HRT. Catalytic conversion of biomass to bio-fuels. [Internet] [Doctoral dissertation]. Mississippi State University; 2014. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10292014-171413/ ;.
Council of Science Editors:
Wijayapala HRT. Catalytic conversion of biomass to bio-fuels. [Doctoral Dissertation]. Mississippi State University; 2014. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10292014-171413/ ;

Mississippi State University
13.
Wilson, David L.
Human carbonic anhydrase II: preparation, metal-substitution, activity, and inhibition.
Degree: PhD, Chemistry, 2015, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06222015-164959/
;
► This report details the activities and inhibition of metal-substituted human carbonic anhydrase II (M-HCA-II). The traditional activities (hydrolysis of CO2 and <I>para</I>-nitrophenol acetate) in…
(more)
▼ This report details the activities and inhibition of metal-substituted human carbonic anhydrase II (M-HCA-II). The traditional activities (hydrolysis of CO
2 and <I>para</I>-nitrophenol acetate) in addition to new activities (oxidation of 2-aminophenol, disproportionation of H
2O
2, and disproportionation of superoxide) were investigated. Values reported for the relative hydrolytic activities of M-HCA-IIs are reported here for the first time, ranging from 47.5 % (plus or minus 0.6) to 86 % (plus or minus 4) for the hydrolysis of CO
2 and from 0.299 % (plus or minus 0.012) to 4.72 % (plus or minus 0.015) for the hydrolysis of <I>para</I>-nitrophenol acetate. With respect to new activities, only the oxidation of 2-aminophenol was observed. Turnover was observed for Fe-HCA-II (k
cat/K
M = 3.6 plus or minus 1.3 mM
-1 s
-1) and Cu-HCA-II (k
cat/K
M = 8 plus or minus 2 mM
-1 s
-1).
Inhibition of Zn-, (di-substituted) Cu2-, and Cu/Zn-HCA-II hydrolysis of CO
2 and <I>para</I>-nitrophenol acetate by sulfanilamide, coumarin, and <I>ortho</I>-coumaric acid were investigated. Sulfanilamide was shown to inhibit: Zn-HCA-II, Cu2-HCA-II, and Cu/Zn-HCA-II - (with CO
2) K
M = 8.9 plus or minus 1.1 microM, 11 plus or minus 2 microM, 8.8 plus or minus 1.4 microM and (with p-nitrophenyl acetate) KM = 8.4 plus or minus 1.0 microM, (none), 8.4 plus or minus 1.4 microM, respectively. No inhibition was observed for coumarin or <I>ortho</I>-coumaric acid or its derivatives for any CAs studied.
Advisors/Committee Members: Joseph P. Emerson (chair), Edwin A. Lewis (committee member), Todd E. Mlsna (committee member), Nicholas C. Fitzkee (committee member), Debbie J. Beard (committee member).
Subjects/Keywords: human carbonic anhydrase II; HCA-II; metal-substitution; copper; cobalt; manganese; iron; nickel; sulfanilamide; coumarin; kinetics; 2-aminophenol; catalase; superoxide dismutase; peroxidase
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Wilson, D. L. (2015). Human carbonic anhydrase II: preparation, metal-substitution, activity, and inhibition. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06222015-164959/ ;
Chicago Manual of Style (16th Edition):
Wilson, David L. “Human carbonic anhydrase II: preparation, metal-substitution, activity, and inhibition.” 2015. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06222015-164959/ ;.
MLA Handbook (7th Edition):
Wilson, David L. “Human carbonic anhydrase II: preparation, metal-substitution, activity, and inhibition.” 2015. Web. 16 Apr 2021.
Vancouver:
Wilson DL. Human carbonic anhydrase II: preparation, metal-substitution, activity, and inhibition. [Internet] [Doctoral dissertation]. Mississippi State University; 2015. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06222015-164959/ ;.
Council of Science Editors:
Wilson DL. Human carbonic anhydrase II: preparation, metal-substitution, activity, and inhibition. [Doctoral Dissertation]. Mississippi State University; 2015. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06222015-164959/ ;

Mississippi State University
14.
Kumarasinghe, K. G. Upul Ranjan.
Rhodium catalyzed coupling of <I>in situ</I> generated alpha-lactams with indoles and synthesis and surface immobilization of bis-corannulene molecular receptors.
Degree: PhD, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06292016-112121/
;
► The first section of this dissertation (Chapter I-III) describes the development of new methodologies for the rhodium catalyzed C-N bond formation between sp3 hybridized…
(more)
▼ The first section of this dissertation (Chapter I-III) describes the development of new methodologies for the rhodium catalyzed C-N bond formation between sp
3 hybridized carbon atom of phenyl substituted alpha-lactams and the nitrogen atom of indole derivatives. Phenyl substituted alpha-lactams generated <I>in situ</I> from the corresponding alpha-bromoamides reacted with indoles in the presence of rhodium catalyst to afford the ring opening products of alpha-lactams. The scope of this methodology was extended to various types of indole derivatives including electron donating and withdrawing substituents. Furthermore, a series of functionalized phenyl substituted alpha-lactams generated <I>in situ</I> reacted with indole to assess the viability of this methodology. The developed method provides an atom-economical approach for the formation of substituted alpha-amino amides in good to excellent yields.
The main goal of the research described in the second section (Chapter IV-VII) is the synthesis of the corannulene-based molecular receptors with polar tethers and their immobilization on silica gel. First, we have considered a preparation of bis-corannulenoanthracene, formally possessing the pentacene core as a potential precursor for a series of barrelene based bis-corannulene receptors with polar groups. Bis-corannulenoanthracene was synthesized by the double Diels-Alder cycloaddition of isocorannulenofuran with bis-benzyne precursor, followed by deoxygenation of the endoxide adducts. While bis-corannulenoanthracene is stable enough to be isolated and stored, its pentacene core undergoes facile cycloaddition with maleic anhydride to afford bis-corannulene molecular receptor with the barrelene tether adorned with the anhydride moiety. The
1H NMR titration experiments carried out in chlorobenzene-<I>d
5</I> proved the high binding affinity of the receptor toward C
60. In addition, the presence of polar anchors on its tether allowed for its deposition on silica gel through the (3-aminopropyl)triethoxysilane linker.
Advisors/Committee Members: Andrzej Sygula (chair), Keith T. Mead (committee member), Todd E. Mlsna (committee member), Dongmao Zhang (committee member), Stephen C. Foster (committee member).
Subjects/Keywords: molecular receptors; corannulene; indole; alpha-lactam; C-N bond formation
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Kumarasinghe, K. G. U. R. (2016). Rhodium catalyzed coupling of <I>in situ</I> generated alpha-lactams with indoles and synthesis and surface immobilization of bis-corannulene molecular receptors. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06292016-112121/ ;
Chicago Manual of Style (16th Edition):
Kumarasinghe, K G Upul Ranjan. “Rhodium catalyzed coupling of <I>in situ</I> generated alpha-lactams with indoles and synthesis and surface immobilization of bis-corannulene molecular receptors.” 2016. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06292016-112121/ ;.
MLA Handbook (7th Edition):
Kumarasinghe, K G Upul Ranjan. “Rhodium catalyzed coupling of <I>in situ</I> generated alpha-lactams with indoles and synthesis and surface immobilization of bis-corannulene molecular receptors.” 2016. Web. 16 Apr 2021.
Vancouver:
Kumarasinghe KGUR. Rhodium catalyzed coupling of <I>in situ</I> generated alpha-lactams with indoles and synthesis and surface immobilization of bis-corannulene molecular receptors. [Internet] [Doctoral dissertation]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06292016-112121/ ;.
Council of Science Editors:
Kumarasinghe KGUR. Rhodium catalyzed coupling of <I>in situ</I> generated alpha-lactams with indoles and synthesis and surface immobilization of bis-corannulene molecular receptors. [Doctoral Dissertation]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06292016-112121/ ;

Mississippi State University
15.
Box, Hannah Killian.
The development of next generation, unsymmetrical CCC-NHC pincer ligand architectures and metalation to form unsymmetrical CCCNHC pincer Ta complexes.
Degree: PhD, Chemistry, 2015, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04282015-140641/
;
► The impact of <i>N</i>-heterocyclic carbenes (NHC) as ligands for transition metal catalysis has been rigorously investigated since their isolation by Arduengo in 1991. NHCs…
(more)
▼ The impact of <i>N</i>-heterocyclic carbenes (NHC) as ligands for transition metal
catalysis has been rigorously investigated since their isolation by Arduengo in 1991.
NHCs have become abundant in late-transition metal chemistry. This is attributed to
NHCs being stronger sigma-donors than even the strongest phosphine analogues, thus
constructing a transition metal-NHC complex with improved stability, catalytic
reactivity, and selectivity. Additionally, pincer ligands have become recognized as an
important class of ligands for transition metal complexes. The unique steric and
electronic tunability of pincer ligands has resulted in pincer-transition metal complexes
being exploited as catalysts for a multitude of transformations. Both ligand classes, NHC
and pincer, have been reported as stable organometallic catalysts that demonstrate high
catalytic activity. The combination of these two ligand systems by incorporation of NHCs
into pincer ligands has attracted considerable attention. NHC pincer systems have been
reported as stable organometallic catalysts that demonstrate high catalytic activity.
The expansion of CCC-NHC ligand precursor methodologies and application of
the newly reported methodologies in order to diversify CCC-NHC ligand architectures is
reported. Extension of the amine elimination methodology yielded unsymmetrical CCCNHC
Ta pincer complexes.
Studies on the manipulation of the previously reported symmetrical CCC-NHC
pincer Ta complexs coordination sphere to synthesize a rare Ta diimido complex with
unique reactivity towards advantageous proton sources and oxidative amination of
aminoalkenes are also expanded upon. These next generation catalysts developed from
these architectures may prove useful in catalyzing a broad array of transformations not
previously accessible through the four standard NHC containing pincer ligand
architectures.
Advisors/Committee Members: Keith T. Mead (chair), Andrzej Sygula (committee member), Joseph P. Emerson (committee member), Todd E. Mlsna (committee member), Debbie J. Beard (committee member).
Subjects/Keywords: Unsymmetrical CCCNHC; Ta complexes; Oxidative Amination
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Box, H. K. (2015). The development of next generation, unsymmetrical CCC-NHC pincer ligand architectures and metalation to form unsymmetrical CCCNHC pincer Ta complexes. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-04282015-140641/ ;
Chicago Manual of Style (16th Edition):
Box, Hannah Killian. “The development of next generation, unsymmetrical CCC-NHC pincer ligand architectures and metalation to form unsymmetrical CCCNHC pincer Ta complexes.” 2015. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-04282015-140641/ ;.
MLA Handbook (7th Edition):
Box, Hannah Killian. “The development of next generation, unsymmetrical CCC-NHC pincer ligand architectures and metalation to form unsymmetrical CCCNHC pincer Ta complexes.” 2015. Web. 16 Apr 2021.
Vancouver:
Box HK. The development of next generation, unsymmetrical CCC-NHC pincer ligand architectures and metalation to form unsymmetrical CCCNHC pincer Ta complexes. [Internet] [Doctoral dissertation]. Mississippi State University; 2015. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04282015-140641/ ;.
Council of Science Editors:
Box HK. The development of next generation, unsymmetrical CCC-NHC pincer ligand architectures and metalation to form unsymmetrical CCCNHC pincer Ta complexes. [Doctoral Dissertation]. Mississippi State University; 2015. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04282015-140641/ ;

Mississippi State University
16.
Peiris, Prangige Kumudu Vilasini.
B ring substituted flavonols: hydrogen bonding, Ru(II) complexes and Al(III) chelation.
Degree: PhD, Chemistry, 2013, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10302013-131458/
;
► Flavonols are hydroxyl-substituted flavonoids and naturally occur as secondary metabolites in plants. Several studies have discovered extensive medicinal properties of flavonols. The present work…
(more)
▼ Flavonols are hydroxyl-substituted flavonoids and naturally occur as secondary metabolites in plants. Several studies have discovered extensive medicinal properties of flavonols. The present work reports on structural and functional investigation of the B ring substituted flavonols based on spectroscopic and electrochemical techniques. The purpose of this study is to determine the influence of the B ring substitutions on the hydrogen bonding interactions, the electronic effects in ruthenium complexes and the Al
3+ chelation of B ring substituted flavonols.
The electronic effects of the B rings were changed by introducing methyl, methoxy and nitro groups at position 4ʹ on the B ring. The 3ʹ-methyl substitution was performed in order to increase the electronic density of the B ring via inductive effects. The 2ʹ-methyl and 2ʹ, 6ʹ-dimethyl substitutions increased the steric effects around the inter-ring bond between the B and the C rings, and the B ring was highly deconjugated from the AC rings. The intramolecular hydrogen bonding distances at 3-hydroxy-4-carbonyl units of the B ring substituted flavonols were elongated while the dihedral angles between the B and AC increased. Strong intermolecular hydrogen bonding interactions were also observed in the crystal structures of 4ʹ-methylflavonol, 4ʹ-methoxyflavonol, 4ʹ-nitroflavonol and 2ʹ,6ʹ-dimethylflavonol. Furthermore, several crystal packing patterns were observed, and it is postulated that dihedral angles and intramolecular hydrogen bonding distances are both affected by the intermolecular hydrogen bonding interactions and the crystal packing forces.
In addition, the ruthenium complexes of B ring substituted flavonols were synthesized and characterized by spectroscopic and electrochemical techniques. B ring substitution effects were minimal in IR spectroscopy and X-ray crystallography. The levels of the conjugation of the ruthenium-flavonolate complexes were demonstrated by electronic absorption spectra recorded in methanol at room temperature. The most positive oxidation potential was obtained with the electron withdrawing nitro group substitution, and the electron donating substitutions resulted in more negative oxidation potentials.
The spectroscopic investigation of the complex formation of Al(III) with flavonols and 3-hydroxychromone is described. The stoichiometric composition and stability constants are also given. The comparison of the results obtained from Al(III) chelation shows significant effects of the B ring substitutions.
Advisors/Committee Members: Steven R. Gwaltney (committee member), Andrzej Sygula (committee member), William P. Henry (chair), Joseph P. Emerson (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: substituent effects; flavonols; ruthenium complexes; aluminum ion chelation; hydrogen bonding; x-ray crystallography; electrochemistry; synthesis
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APA (6th Edition):
Peiris, P. K. V. (2013). B ring substituted flavonols: hydrogen bonding, Ru(II) complexes and Al(III) chelation. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10302013-131458/ ;
Chicago Manual of Style (16th Edition):
Peiris, Prangige Kumudu Vilasini. “B ring substituted flavonols: hydrogen bonding, Ru(II) complexes and Al(III) chelation.” 2013. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10302013-131458/ ;.
MLA Handbook (7th Edition):
Peiris, Prangige Kumudu Vilasini. “B ring substituted flavonols: hydrogen bonding, Ru(II) complexes and Al(III) chelation.” 2013. Web. 16 Apr 2021.
Vancouver:
Peiris PKV. B ring substituted flavonols: hydrogen bonding, Ru(II) complexes and Al(III) chelation. [Internet] [Doctoral dissertation]. Mississippi State University; 2013. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10302013-131458/ ;.
Council of Science Editors:
Peiris PKV. B ring substituted flavonols: hydrogen bonding, Ru(II) complexes and Al(III) chelation. [Doctoral Dissertation]. Mississippi State University; 2013. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10302013-131458/ ;

Mississippi State University
17.
Ranaweera, Ankadage Samantha.
Synthesis, characterization, and catalytic activity of silica supported homo- and heterodinuclear metal complexes.
Degree: PhD, Chemistry, 2012, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07062012-102618/
;
► Stable dinuclear complexes bis(heptane-2,4,6-trionato)dicopper(II) [Cu2(daa)2], bis(1,5-diphenyl-1,3,5-pentanetrionato)dicopper(II) [Cu2(dba)2], bis(1,5-diphenyl-1,3,5-pentanetrionato)dicobalt(II) [Co2(dba)2], and [6,11-dimethyl-7,10-diazahexadeca-5,11-diene-2,4,13,15-tetranato(4-)-N7N10O4O13;O2O4O13O15] copper(II)cobalt(II) [(CuCo(daaen)] were supported on Cab-O-Sil by the batch impregnation technique. The supported…
(more)
▼ Stable dinuclear complexes bis(heptane-2,4,6-trionato)dicopper(II) [Cu2(daa)
2], bis(1,5-diphenyl-1,3,5-pentanetrionato)dicopper(II) [Cu2(dba)2], bis(1,5-diphenyl-1,3,5-pentanetrionato)dicobalt(II) [Co2(dba)
2], and [6,11-dimethyl-7,10-diazahexadeca-5,11-diene-2,4,13,15-tetranato(4-)-N7N10O4O13;O2O4O13O15] copper(II)cobalt(II) [(CuCo(daaen)] were supported on Cab-O-Sil by the batch impregnation technique. The supported samples were characterized by UV-Vis, elemental analysis, X-ray powder diffraction (XRD), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and thermal gravimetric analysis (TGA). Elemental analysis and TGA data confirm that the Cu2(daa)
2 complex loses one of its coordinated ligands upon adsorption onto silica in THF at greater than 4.43 wt% Cu loading. By contrast, at all Cu loadings the Cu
2(dba)
2 complex was adsorbed on the silica surface in CH
2Cl
2 without loss of ligand. XRD and DRIFTS results confirmed the formation of Cu
2(dba)
2 multilayer films on the Cab-O-Sil surface for samples containing greater than 2.64 wt% copper. The dinuclear cobalt complex and copper-cobalt complex also do not lose their coordination ligands upon adsorption on the surface. These two metal complexes are amorphous and did not produce XRD patterns. However, DRIFTS results confirm that the binuclear cobalt complex and the copper-cobalt complex begin forming multilayer films between 1.21and 2.53 wt% Cu.
The Cu
2(dba)
2/silica precatalysts were subsequently converted to the catalysts by decomposing the organic ligands at 450 degrees Celsius followed by activation with 2% H
2 at 250 degrees Celsius and were evaluated for methanol synthesis and methanol decomposition reactions. Kinetic studies demonstrated that the 3.70% Cu/silica[Cu
2(dba)
2] catalyst is more active for methanol decomposition than it is for methanol synthesis.
The supported dinuclear cobalt and copper-cobalt precatalysts were converted to the catalyst by heating at 450 degrees Celsius followed by activation of the catalysts with 50% H
2. Four different catalysts, 3.5% Co/silica[Co
2(dba)
2], 6.7% Co/silica[Co
2(dba)
2], 2.3% Co/silica[CuCo(daaen)], and 5.5% Co/silica[Co
2(daa)
2] were evaluated for the Fischer-Tropsch reaction at 350 degrees Celsius in a batch reactor. The supported binuclear cobalt catalyst produced C
1-C
7 alkanes and a significant amount of CO
2. By contrast, the catalyst formed from heterobinuclear CuCo(daaen) showed the ability to convert syngas to aromatics with a narrow product distribution. In addition, the 6.7% Co/silica[Co
2(dba)
2] multilayer catalysts have above 98% conversion rates and 60% liquid hydrocarbon selectivity in a flow reactor.
Advisors/Committee Members: Dr. William P. Henry (chair), Stephen C. Foster (committee member), Steven R. Gwaltney (committee member), Dongmao Zhang (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: Methanol synthesis and decomposition; Batch impregnation technique; Fischer-tropsch; Silica supported catalyst
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Ranaweera, A. S. (2012). Synthesis, characterization, and catalytic activity of silica supported homo- and heterodinuclear metal complexes. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-07062012-102618/ ;
Chicago Manual of Style (16th Edition):
Ranaweera, Ankadage Samantha. “Synthesis, characterization, and catalytic activity of silica supported homo- and heterodinuclear metal complexes.” 2012. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-07062012-102618/ ;.
MLA Handbook (7th Edition):
Ranaweera, Ankadage Samantha. “Synthesis, characterization, and catalytic activity of silica supported homo- and heterodinuclear metal complexes.” 2012. Web. 16 Apr 2021.
Vancouver:
Ranaweera AS. Synthesis, characterization, and catalytic activity of silica supported homo- and heterodinuclear metal complexes. [Internet] [Doctoral dissertation]. Mississippi State University; 2012. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07062012-102618/ ;.
Council of Science Editors:
Ranaweera AS. Synthesis, characterization, and catalytic activity of silica supported homo- and heterodinuclear metal complexes. [Doctoral Dissertation]. Mississippi State University; 2012. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07062012-102618/ ;

Mississippi State University
18.
Sun, Dongdi.
Multivariate analysis of fungal volatile metabolites for aflatoxigenic fungi detection.
Degree: PhD, Chemistry, 2015, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03262015-154945/
;
► My research focuses on the development of a novel method for the fast detection of aflatoxin-producing fungi from the volatile organic compounds that they…
(more)
▼ My research focuses on the development of a novel method for the fast detection of aflatoxin-producing fungi from the volatile organic compounds that they produce. Aflatoxins have received great attention because of their demonstrated potent carcinogenic effect in susceptible laboratory animals and their acute toxicological effects in humans. Traditional detection and quantification techniques are considered time-consuming, high cost, and require technical professionals.
The `odor' or so called volatile metabolites released by a fungus is the key for fast detection. Several researchers have reported that diverse fungi species have unique volatile metabolite patterns. This study focuses on answering several questions: Is it possible to discriminate aflatoxins-producing fungi from other fungi based on volatile metabolites? What are the key discriminating biomarkers related to each fungus? Does the growth environment have an effect on the production of volatile metabolites? What chemicals are consistently emitted by a fungus under varied conditions?
To answer these questions, one toxigenic and one nontoxigenic A. flavus isolate were studied to evaluate the microbial volatile organic compound (MVOC) profiles. The results described in chapter two of this dissertation indicate that MVOC production is time-dependent and that aflatoxigenic and non-aflatoxigenic strains have different MVOC expression patterns. Chapter three describes the effects of experimental parameters on fungal volatile metabolites. The identity and quantity of MVOCs can be affected by many factors including SPME fiber type, fungal growth media, and growth temperature. A CAR/PDMS coated fiber performed better than the other SPME fibers by collecting a larger variety and quantity of MVOCs. Fungi grown on the chemical defined liquid media produced much larger quantities of MVOCs compared to the other media. The highest MVOC production results were found at 30 degrees Celsius .
The fungi discrimination study was extended in chapter four by including 3 toxigenic and 3 non-toxigenic isolates using multivariate analysis. The results indicate that volatile patterns vary even at the fungal isolate level and that discrimination of aflatoxin-producing fungi from non-toxigenic fungi is possible.
Advisors/Committee Members: Todd E. Mlsna (chair), David O. Wipf (committee member), Dongmao Zhang (committee member), Joseph P. Emerson (committee member), Steven R. Gwaltney (committee member).
Subjects/Keywords: multivariate analysis; microbial volatile organic compounds; Aspergillus flavus
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Sun, D. (2015). Multivariate analysis of fungal volatile metabolites for aflatoxigenic fungi detection. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03262015-154945/ ;
Chicago Manual of Style (16th Edition):
Sun, Dongdi. “Multivariate analysis of fungal volatile metabolites for aflatoxigenic fungi detection.” 2015. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-03262015-154945/ ;.
MLA Handbook (7th Edition):
Sun, Dongdi. “Multivariate analysis of fungal volatile metabolites for aflatoxigenic fungi detection.” 2015. Web. 16 Apr 2021.
Vancouver:
Sun D. Multivariate analysis of fungal volatile metabolites for aflatoxigenic fungi detection. [Internet] [Doctoral dissertation]. Mississippi State University; 2015. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03262015-154945/ ;.
Council of Science Editors:
Sun D. Multivariate analysis of fungal volatile metabolites for aflatoxigenic fungi detection. [Doctoral Dissertation]. Mississippi State University; 2015. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03262015-154945/ ;

Mississippi State University
19.
Nettles, Whitnee Leigh.
Copper coordination with protein, peptides, and small molecules.
Degree: PhD, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-122816/
;
► Copper is an essential element for all living organisms. However, due to its low redox potential it can be involved in the production of…
(more)
▼ Copper is an essential element for all living organisms. However, due to its low redox potential it can be involved in the production of reactive oxygen species; where excess amounts of copper can be exceptionally toxic.
1 In humans, malfunctions in copper metabolism are linked to diseases such as Menkes syndrome, Wilsons disease, prion disease, and Alzheimers disease.
2 Maintenance of copper homeostasis requires a number of proteins, such as copper transporters and chaperones to deliver copper to the correct protein while limiting free copper in the cell.
3 Therefore, understanding the thermodynamics of copper(II) coordination in proteins is critical to our understanding of copper homeostasis. Herein we report human carbonic anhydrase II contains a novel copper binding site with picomolar affinity.
4 A full characterization of the structure and thermodynamics associated with the coordination of both Cu atoms into their respective sites is discussed. Techniques including paramagnetic nuclear magnetic resonance spectroscopy (NMR), and x-ray absorption spectroscopy (XAS) techniques provide insight into the high affinity CuA coordination environment. A detailed characterization of this high affinity binding site and related peptide-bound model complexes are
included, with the results providing insights into the chemistry and physiological impact of copper binding in human carbonic anhydrase II.
Advisors/Committee Members: Joseph P. Emerson (chair), Edwin A. Lewis (committee member), Nicholas C. Fitzkee (committee member), Todd E. Mlsna (committee member), Debra Ann Mlsna (committee member).
Subjects/Keywords: Copper; Carbonic Anhydrase; ITC; Isothermal Titration Calorimetry
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Nettles, W. L. (2016). Copper coordination with protein, peptides, and small molecules. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-122816/ ;
Chicago Manual of Style (16th Edition):
Nettles, Whitnee Leigh. “Copper coordination with protein, peptides, and small molecules.” 2016. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-122816/ ;.
MLA Handbook (7th Edition):
Nettles, Whitnee Leigh. “Copper coordination with protein, peptides, and small molecules.” 2016. Web. 16 Apr 2021.
Vancouver:
Nettles WL. Copper coordination with protein, peptides, and small molecules. [Internet] [Doctoral dissertation]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-122816/ ;.
Council of Science Editors:
Nettles WL. Copper coordination with protein, peptides, and small molecules. [Doctoral Dissertation]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07292016-122816/ ;

Mississippi State University
20.
Nettles, Charles Bruce.
Material characterization using spectrofluorometers.
Degree: PhD, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10122016-160658/
;
► The use of spectrofluorometers to examine nanomaterials is quite popular using either fluorescence or synchronous measurements. However, understanding how a materials optical properties can…
(more)
▼ The use of spectrofluorometers to examine nanomaterials is quite popular using either fluorescence or synchronous measurements. However, understanding how a materials optical properties can influence spectral acquisition are of great importance to accurately characterize nanomaterials. This dissertation presents a series of computational and experimental studies aimed at enhancing the quantitative understanding of nanoparticle interactions with matter and photons. This allows for more reliable spectrofluorometer based acquisition of nanoparticle containing solutions.
Chapter I presents a background overview of the works described in this dissertation. Correction of the gold nanoparticle (AuNP) inner filter effect (IFE) on fluorophore fluorescence using PEGylated AuNPs as an external reference method is demonstrated in Chapter II. The AuNP IFE is corrected to quantify tryptophan fluorescence for surface adsorbed proteins. We demonstrate that protein adsorption onto AuNPs will only induce ~ 20% tryptophan fluorescence reduction instead of the commonly assumed 100% reduction.
Using water Raman intensities to determine the effective path lengths of a spectrofluorometer for correction of fluorophore fluorescence is discussed in Chapter III.
Using Ni(NO
3)2 and K
2Cr
2O
7 as Raman IFE references, the excitation and emission path lengths are found to exhibit chromophore and fluorophore independence, however path lengths are spectrofluorometer dependent.
Finally, ratiometric resonance synchronous spectroscopy (R
2S
2) is discussed in Chapter IV. Using a combination of UV-vis and R
2S
2 spectroscopy, the optical cross sections of a wide range of nanomaterials were determined. Also on-resonance fluorescence in solution is demonstrated for the first time. The nanoparticles discussed range from photon absorbers, scatterers, simultaneous photon absorbers and scatterers, all the way to simultaneous photon absorbers, scatterers, and emitters.
Advisors/Committee Members: Dongmao Zhang (committee member), David O. WIpf (committee member), Todd E. Mlsna (committee member), Nicholas C. Fitzkee (committee member), Stephen C. Foster (committee member).
Subjects/Keywords: nanoparticles; ratiometric resonance synchronous spectra; resonance light scattering; fluorescence; inner filter effect
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Nettles, C. B. (2016). Material characterization using spectrofluorometers. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10122016-160658/ ;
Chicago Manual of Style (16th Edition):
Nettles, Charles Bruce. “Material characterization using spectrofluorometers.” 2016. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10122016-160658/ ;.
MLA Handbook (7th Edition):
Nettles, Charles Bruce. “Material characterization using spectrofluorometers.” 2016. Web. 16 Apr 2021.
Vancouver:
Nettles CB. Material characterization using spectrofluorometers. [Internet] [Doctoral dissertation]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10122016-160658/ ;.
Council of Science Editors:
Nettles CB. Material characterization using spectrofluorometers. [Doctoral Dissertation]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10122016-160658/ ;

Mississippi State University
21.
Rajapaksha, R.M. Suranga Mahesh.
Novel one-pot syntheses of uracils and arylidenehydantoins, and analysis of xylitol in chewing gum by GC-MS.
Degree: PhD, Chemistry, 2017, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03202017-111123/
;
► The first section of this dissertation (Chapter I-III) describes the development of new methodologies to prepare uracil and arylidenehydantoin derivatives. A regioselective synthesis of…
(more)
▼ The first section of this dissertation (Chapter I-III) describes the development of
new methodologies to prepare uracil and arylidenehydantoin derivatives. A regioselective
synthesis of 6-alkyl- and 6-aryluracils was developed by the dimerization of 3-alkyl- and
3-aryl-2-propynamides promoted by either Cs
2CO
3 or K
3PO
4. A range of 3-aryl-2-
propynamides, with both electron-deficient and electron-rich 3-aryl substituents, were
successfully reacted in high yields. A synthetic route to prepare arylidenehydantoins was
developed using the Pd-catalyzed dimerization of 3-aryl-2-propynamides. Both electron
rich and electron deficient 3-aryl-2-propynamides were dimerized successfully to
produce the desired arylidenehydantoins in moderate to excellent yields. The second section of this dissertation (Chapter IV and V) describes the
development of a reliable low-cost method to determine amounts of xylitol in sugar free
gum samples to predict dangerous exposure levels for dogs. Xylitol is generally
considered safe for human consumption and is frequently used in sugar free gum,
however, it is extremely toxic to dogs. It is unknown if partially consumed chewing gum
is also dangerous. A method to determine xylitol content of these sugar free gum samples
employing GC-MS with direct aqueous injection (DAI) is presented. This method was
successfully applied to over 120 samples including, fresh gum, 5 min, 15 min, and 30
min chewed gum samples. Further extension of this work resulted in the development of
an undergraduate laboratory experiment for upper-level undergraduate chemistry students
which teaches calibration methods, xylitol extraction, sample preparation for GC-MS
analysis, and data analysis.
Advisors/Committee Members: Todd E. Mlsna (chair), Charles U. Pittman, Jr (chair), Andrzej Sygula (committee member), David O. Wipf (committee member), Colleen N. Scott (committee member).
Subjects/Keywords: GC-MS; xylitol; arylidenehydantoins; uracils; one-pot
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Rajapaksha, R. M. S. M. (2017). Novel one-pot syntheses of uracils and arylidenehydantoins, and analysis of xylitol in chewing gum by GC-MS. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03202017-111123/ ;
Chicago Manual of Style (16th Edition):
Rajapaksha, R M Suranga Mahesh. “Novel one-pot syntheses of uracils and arylidenehydantoins, and analysis of xylitol in chewing gum by GC-MS.” 2017. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-03202017-111123/ ;.
MLA Handbook (7th Edition):
Rajapaksha, R M Suranga Mahesh. “Novel one-pot syntheses of uracils and arylidenehydantoins, and analysis of xylitol in chewing gum by GC-MS.” 2017. Web. 16 Apr 2021.
Vancouver:
Rajapaksha RMSM. Novel one-pot syntheses of uracils and arylidenehydantoins, and analysis of xylitol in chewing gum by GC-MS. [Internet] [Doctoral dissertation]. Mississippi State University; 2017. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03202017-111123/ ;.
Council of Science Editors:
Rajapaksha RMSM. Novel one-pot syntheses of uracils and arylidenehydantoins, and analysis of xylitol in chewing gum by GC-MS. [Doctoral Dissertation]. Mississippi State University; 2017. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03202017-111123/ ;

Mississippi State University
22.
Siriwardana, W-K-Kumudu Dilhani.
Multicomponent ligand interactions with colloidal gold and silver nanoparticles in water.
Degree: PhD, Chemistry, 2017, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04172017-183453/
;
► Multicomponent ligand interactions are involved in essentially all nanoparticle (NP) applications. However, the ligand conformation and ligand binding mechanisms on NPs are highly controversial.…
(more)
▼ Multicomponent ligand interactions are involved in essentially all nanoparticle (NP) applications. However, the ligand conformation and ligand binding mechanisms on NPs are highly controversial. The research reported here is focused on deepening the fundamental understanding of multicomponent ligand interactions with gold and silver nanoparticles (AuNPs and AgNPs) in water.
We demonstrated that AuNPs passivated by saturated layer of poly(ethylene glycol) (PEG-SH) have large fractions of AuNP surface area available for ligand adsorption and exchange. The fraction of AuNP surface area passivated by PEG-SH with molecular weights of 2000, 5000, and 30000 g/mol was calculated to be ~ 25%, ~20%, and ~9% using 2-mercaptobenzimidazole and adenine as model ligands.
The effect of both reduced and oxidized protein cysteine residues on protein interactions with AgNPs was investigated. The model proteins included wild-type and mutated GB3 variants with 0, 1, or 2 reduced cysteine residues. Bovine serum albumin containing 34 oxidized (disulfide-linked) and 1 reduced cysteine residues was also included. Protein cysteine content that were found to have no detectable effect on kinetics
of protein/AgNP binding. However, only proteins that contain reduced cysteine induced significant AgNP dissolution.
We further demonstrated that organothiols can induce both AgNP disintegration and formation under ambient conditions by simply mixing organothiols with AgNPs or AgNO3, respectively. Surface plasmon- and fluorescence-active AgNPs formed by changing the concentration ratio between Ag+ and organothiol. Organothiols also induced AuNP formation by mixing HAuCl4 with organothiols, but no AuNP disintegration occured.
Finally, we proposed that multicomponent ligand binding to AuNPs can be highly dependent on the sequence of ligand mixing with AuNPs. Quantitative studies revealed that competitive adenine and glutathione adsorption onto both as-synthesized and PEG-SH functionalized AuNPs is predominantly a kinetically controlled process. Besides providing new insights on multicomponent ligand interactions with colloidal AuNPs and AgNPs, this study opens a new avenue for fabrication of novel nanomaterials in biological/biomedical applications.
Advisors/Committee Members: Joseph P. Emerson (committee member), Stephen C. Foster (committee member), Todd E. Mlsna (committee member), David O. Wipf (committee member), Dongmao Zhang (chair).
Subjects/Keywords: dissolution; ligand interactions; silver nanoparticles; Gold nanoparticles
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APA (6th Edition):
Siriwardana, W. D. (2017). Multicomponent ligand interactions with colloidal gold and silver nanoparticles in water. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-04172017-183453/ ;
Chicago Manual of Style (16th Edition):
Siriwardana, W-K-Kumudu Dilhani. “Multicomponent ligand interactions with colloidal gold and silver nanoparticles in water.” 2017. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-04172017-183453/ ;.
MLA Handbook (7th Edition):
Siriwardana, W-K-Kumudu Dilhani. “Multicomponent ligand interactions with colloidal gold and silver nanoparticles in water.” 2017. Web. 16 Apr 2021.
Vancouver:
Siriwardana WD. Multicomponent ligand interactions with colloidal gold and silver nanoparticles in water. [Internet] [Doctoral dissertation]. Mississippi State University; 2017. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04172017-183453/ ;.
Council of Science Editors:
Siriwardana WD. Multicomponent ligand interactions with colloidal gold and silver nanoparticles in water. [Doctoral Dissertation]. Mississippi State University; 2017. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04172017-183453/ ;

Mississippi State University
23.
Akurathi, Gopalakrishna.
Design, synthesis and characterization of chiral CCC-NHC transition metal complexes and catalytic activity.
Degree: PhD, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06202016-112340/
;
► The first stable free N-heterocyclic carbene (NHC) was isolated in 1991, since then many classes of NHCs were synthesized and isolated. N-heterocyclic carbene ligands…
(more)
▼ The first stable free N-heterocyclic carbene (NHC) was isolated in 1991, since then many classes of NHCs were synthesized and isolated. N-heterocyclic carbene ligands have become a common ligand in the synthesis of metal complexes, due to their strong σ-donation with poor Ï€-acceptor ability. Among all the NHC metal complexes, Hollis group was interested in exploring CCC-NHC pincer complexes. In 2005, Hollis and co-workers synthesized and isolated first achiral CCC-NHC zirconium pincer amido complex and studied its catalytic ability to perform intramolecular hydroamination of aminoalkenes. Later, Hollis group designed and developed new NHCs with a saturated chiral backbone, and used these new ligands to generate a new series of metal complexes.
This dissertation is focused on the design, synthesis and characterization of several chiral bi-dentate NHC ligands with varying substituents on the backbone. These NHC ligands were used to synthesize several chiral mono, bis and tris amido CCC-NHC zirconium pincer complexes. Further, transmetallation to cobalt complexes were achieved.
Intramolecular hydroamination was measured for several chiral bis and tris amido CCC-NHC pincer zirconium catalysts. Variants of these catalytic systems were generated with
differing steric hinderance and electronic structure. The enantioselectivity of these novel new molecules were studied.
Advisors/Committee Members: Keith T. Mead (chair), Todd E. Mlsna (committee member), David O. Wipf (committee member), Joseph P. Emerson (committee member), Andrzej Sygula (committee member).
Subjects/Keywords: CCC-NHC; chiral zirconium metal complexes; pincer complexes
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APA ·
Chicago ·
MLA ·
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CSE |
Export
to Zotero / EndNote / Reference
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APA (6th Edition):
Akurathi, G. (2016). Design, synthesis and characterization of chiral CCC-NHC transition metal complexes and catalytic activity. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06202016-112340/ ;
Chicago Manual of Style (16th Edition):
Akurathi, Gopalakrishna. “Design, synthesis and characterization of chiral CCC-NHC transition metal complexes and catalytic activity.” 2016. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06202016-112340/ ;.
MLA Handbook (7th Edition):
Akurathi, Gopalakrishna. “Design, synthesis and characterization of chiral CCC-NHC transition metal complexes and catalytic activity.” 2016. Web. 16 Apr 2021.
Vancouver:
Akurathi G. Design, synthesis and characterization of chiral CCC-NHC transition metal complexes and catalytic activity. [Internet] [Doctoral dissertation]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06202016-112340/ ;.
Council of Science Editors:
Akurathi G. Design, synthesis and characterization of chiral CCC-NHC transition metal complexes and catalytic activity. [Doctoral Dissertation]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06202016-112340/ ;

Mississippi State University
24.
She, Jinyan.
Application of non-targeted volatile metabolomics in plant pathology.
Degree: PhD, Chemistry, 2017, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10252017-192706/
;
► Our study focuses on the application of volatile metabolomics and chemometrics in plant pathology. Specifically, volatile metabolites or volatile organic compounds (VOCs) from the…
(more)
▼ Our study focuses on the application of volatile metabolomics and chemometrics in plant pathology. Specifically, volatile metabolites or volatile organic compounds (VOCs) from the American chestnut tree (Castanea dentata) and its pathogenic fungus Cryphonectria parasitica have been investigated. The American chestnut was once a dominant tree species in the eastern forests of the United States. However, it was nearly devastated by the fungal pathogen <i>C. parasitica</i>. The loss of this tree species has significantly impacted the ecosystem. Therefore, preservation and restoration of American chestnut are crucial. Chapter one provides an overview of mass spectrometry based volatile metabolomics and their implementation in the investigation of plant pathology.
The study of volatile metabolites profiles from virulent and hypovirulent strains of C. parasitica are presented in chapter two. The microbial volatile organic compounds (MVOCs) profiles were analyzed via nondestructive sampling method, headspace solid phase microextraction (HS-SPME), combined with gas chromatography (GC)-mass spectrometry (MS). The results indicate that the MVOCs profiles emitted from these two strains are significantly different. In general, compared with its hypovirulent strains, high emissions of sesquiterpenes were observed in the virulent strains. Furthermore, the study explored MVOCs differences associated with hypovirulence processes. The study found that both hypovirulence and aging can alter the virulent strains' MVOCs, and the process can be observed via their volatile metabolites.
Chapter three describes the effects of aging, cultivation medium, and pH on fungal volatile metabolite profiles, all of which can change the strength of MVOCs emission and their composition. An acidic environment favors fungal bioactivity and therefore enhanced MVOCs emission. However, due to the inherently low MVOCs production from hypovirulent strains, the pH effect was less apparent in the hypovirulent isolates. The strength of MVOCs emission was highly correlated to the fungal expansion in virulent strains for the first 14 days. The overall emission from hypovirulent strains was relatively steady during the 28-day observation. Finally, the cultivation media are critical to the fungal MVOCs production. Among the tested media, cornmeal was least favorable for MVOCs production for both strains.
Finally, Chapter Four presents a study of the total constitutive phenolic content estimation and volatile organic compounds identification from four species of chestnut tree leaf tissues. Folin Ciocalteu reagent assay with UV/Vis spectrophotometry was applied to estimate the total phenolic content in leaf tissues of American chestnut (<i>Castanea dentata</i>), Chinese chestnut (<i>Castanea mollissima</i>), and their backcross breeding generations (B3F2 and B3F3). The results from leaf tissue extraction in methanol/water (95:5 v/v), pH 2, and analyzed under the UV/Vis at 765 nm show that the variations among these tree species are significant (ANOVA, p <…
Advisors/Committee Members: Richard E. Baird (committee member), Todd E. Mlsna (committee member), Joseph P. Emerson (committee member), Steven Gwaltney (committee member), David O. Wipf (committee member).
Subjects/Keywords: chemometrics; mass spectrometry; gas chromatography; volatile metabolomics; headspace-SPME
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
She, J. (2017). Application of non-targeted volatile metabolomics in plant pathology. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10252017-192706/ ;
Chicago Manual of Style (16th Edition):
She, Jinyan. “Application of non-targeted volatile metabolomics in plant pathology.” 2017. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10252017-192706/ ;.
MLA Handbook (7th Edition):
She, Jinyan. “Application of non-targeted volatile metabolomics in plant pathology.” 2017. Web. 16 Apr 2021.
Vancouver:
She J. Application of non-targeted volatile metabolomics in plant pathology. [Internet] [Doctoral dissertation]. Mississippi State University; 2017. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10252017-192706/ ;.
Council of Science Editors:
She J. Application of non-targeted volatile metabolomics in plant pathology. [Doctoral Dissertation]. Mississippi State University; 2017. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10252017-192706/ ;

Mississippi State University
25.
Zhang, Yue.
Toward a molecular mechanism of phase separation in disordered elastin-like proteins.
Degree: PhD, Chemistry, 2017, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10202017-102149/
;
► Since the last decade, an increasing number of proteins have been shown to be capable of undergoing reversible liquid-liquid phase separation (LLPS) in response…
(more)
▼ Since the last decade, an increasing number of proteins have been shown to be capable of undergoing reversible liquid-liquid phase separation (LLPS) in response to an external stimulus, and the resulting protein-rich phase (coacervate) is considered as one of the main components of membrane-less organelles. Most of these proteins are intrinsically disordered proteins (IDPs) or contain intrinsically disordered regions. More importantly, LLPS often plays an important role in cellular signaling and development of cells and tissues. However, the molecular mechanisms underlying LLPS of proteins remain poorly understood. Elastin-like proteins (ELPs), a class of IDPs derived from the hydrophobic domains of tropoelastin, are known to undergo LLPS reversibly above a concentration-dependent transition temperature (T<i><sub>T</i></sub>), allowing ELPs to be a promising thermo-responsive drug delivery vector for treating cancer. Previous studies have suggested that, as temperature increases, ELPs experience an increased propensity for type II beta-turns. Our hypothesis is that the interaction is initiated at the beta-turn positions.
In this work, integrative approaches including experimental and computational methods were employed to study the early stages of ELP phase separation. Using nuclear magnetic resonance spectroscopy (NMR), and paramagnetic relaxation enhancement (PRE), we have characterized structural properties of self-association in several ELPs. NMR chemical shifts suggest that ELPs adopt a beta-turn conformation even at temperatures below the T<i><sub>T</i></sub>. The intermolecular PRE reveals there is a stronger interaction between the higher beta-turn propensity regions. Building on this observation, a series of structural ensembles were generated for ELP incorporating differing amounts of beta-turn bias, from 1% to 90%. To mimic the early stages of the phase change, two monomers were paired, assuming preferential interaction at beta-turn regions. Following dimerization, the ensemble-averaged hydrodynamic properties were calculated for each degree of beta-turn bias, and results were compared with analytical ultracentrifugation (AUC) experiments at various temperatures. The ensemble calculation reveals that accessible surface area changes dramatically as oligomers are formed from monomers with a high beta-turn content. Together, these observations suggest a model where ELP self-association is initiated at beta-turn positions, where the driving force of phase separation is solvent exclusion due to changes in the hydrophobic accessible surface area.
Advisors/Committee Members: Nicholas C. Fitzkee (chair), John J. Correia (committee member), Joseph P. Emerson (committee member), Debra Ann Mlsna (committee member), Todd E. Mlsna (committee member).
Subjects/Keywords: NMR; PRE; hydrodynamic simulation; AUC; Monte-Carlo simulation; protein-protein interaction; disordered protein; EPR
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Zhang, Y. (2017). Toward a molecular mechanism of phase separation in disordered elastin-like proteins. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10202017-102149/ ;
Chicago Manual of Style (16th Edition):
Zhang, Yue. “Toward a molecular mechanism of phase separation in disordered elastin-like proteins.” 2017. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10202017-102149/ ;.
MLA Handbook (7th Edition):
Zhang, Yue. “Toward a molecular mechanism of phase separation in disordered elastin-like proteins.” 2017. Web. 16 Apr 2021.
Vancouver:
Zhang Y. Toward a molecular mechanism of phase separation in disordered elastin-like proteins. [Internet] [Doctoral dissertation]. Mississippi State University; 2017. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10202017-102149/ ;.
Council of Science Editors:
Zhang Y. Toward a molecular mechanism of phase separation in disordered elastin-like proteins. [Doctoral Dissertation]. Mississippi State University; 2017. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10202017-102149/ ;

Mississippi State University
26.
LI, MINGJIE.
Energetics of metal and substrates binding to the 2-His-1-carboxylate binding motif in nonheme iron(II) enzymes.
Degree: PhD, Chemistry, 2018, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272018-173523/
;
► Nonheme iron(II) oxygenases within a common 2-His-1-carboxylate binding motif catalyze a wide range of oxidation reactions involved in biological functions like DNA repair and…
(more)
▼ Nonheme iron(II) oxygenases within a common 2-His-1-carboxylate binding motif catalyze a wide range of oxidation reactions involved in biological functions like DNA repair and secondary metabolic processes. The mechanism of O
2 activation catalyzed by this enzyme family has been examined by spectroscopic, crystallographic, and computational studies, where it is clear the iron(II) center works with substrate, and cosubstrate to activate O
2 by forming a highly oxidizing iron species (iron(IV)-oxo). From a thermodynamic perspective, substrate and/or co-substrate binding organizes the active site for O
2 activation, and understanding the interactions among metal, substrate, cosubstrate, and enzyme provides insight into the intramolecular contacts that guide the reaction catalyzed by the enzymes.
This dissertation is focused on elucidating the interactions between metal, substrate, and co-substrate in a representative enzyme subfamily of nonheme iron(II) oxygenases, namely the 2-oxoglutarate dependent dioxygenases. Specifically, we investigated the thermodynamic properties of divalent metal ions binding to taurine-dependent dioxygenase (TauD), using Mn
2+, Fe
2+, and Co
2+ ions. Additionally, the thermodynamics associated
with substrate and co-substrate binding to Fe·TauD and iron(II)-ethylene forming enzyme (Fe·EFE) were explored using calorimetry and other biophysical techniques.
Advisors/Committee Members: Todd E. Mlsna (committee member), Edwin A. Lewis (committee member), Nicholas C. Fitzkee (committee member), Steven R. Gwaltney (committee member), Joseph P. Emerson (committee member).
Subjects/Keywords: themodynamics; 2-oxoglutarate; intermolecular interactions; ITC; cooperativity; DSC
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
LI, M. (2018). Energetics of metal and substrates binding to the 2-His-1-carboxylate binding motif in nonheme iron(II) enzymes. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272018-173523/ ;
Chicago Manual of Style (16th Edition):
LI, MINGJIE. “Energetics of metal and substrates binding to the 2-His-1-carboxylate binding motif in nonheme iron(II) enzymes.” 2018. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272018-173523/ ;.
MLA Handbook (7th Edition):
LI, MINGJIE. “Energetics of metal and substrates binding to the 2-His-1-carboxylate binding motif in nonheme iron(II) enzymes.” 2018. Web. 16 Apr 2021.
Vancouver:
LI M. Energetics of metal and substrates binding to the 2-His-1-carboxylate binding motif in nonheme iron(II) enzymes. [Internet] [Doctoral dissertation]. Mississippi State University; 2018. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272018-173523/ ;.
Council of Science Editors:
LI M. Energetics of metal and substrates binding to the 2-His-1-carboxylate binding motif in nonheme iron(II) enzymes. [Doctoral Dissertation]. Mississippi State University; 2018. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-06272018-173523/ ;

Mississippi State University
27.
Culbertson, Bryan James.
CAVITY RING-DOWN SPECTROSCOPY OF LIQUID SAMPLES USING STANDARD CUVETTES AT NORMAL INCIDENCE.
Degree: PhD, Chemistry, 2012, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03282012-151151/
;
► Cavity ring-down (CRD) spectroscopy has emerged as a sensitive analytical technique. In this method, a laser pulse is injected through one of two highly-reflective…
(more)
▼ Cavity ring-down (CRD) spectroscopy has emerged as a sensitive analytical
technique. In this method, a laser pulse is injected through one of two highly-reflective
mirrors which form a stable optical cavity and the rate that the light leaves the cavity is
monitored by a detector placed behind the second mirror.
In this research a CRD spectrometer has been designed and constructed. The light
exiting the cavity is collected via a fiber optic cable which is then directed toward a photo
multiplier tube (PMT) detector. The signal is digitized and averaged by an oscilloscope
and the data are transferred by an IEEE 488 interface to a personal computer where the
data are analyzed. Instrument command and data acquisition are controlled by a Visual
Basic computer program. A short review of several attempts to measure liquid samples
using CRD spectroscopy is presented; most discuss the necessity for the incorporation of
Brewsters angle at the liquid interface. This study integrates a 1 cm standard quartz
cuvette at normal incidence. It was determined that there are significant losses from
scattering and reflection; however, these losses were not so large as to negate the efficacy
of the technique. The hypothesis tested here is that the light lost as reflections are
collected by the cavity mirrors and redirected back into the cavity.
Rhodamine 6G was used as the primary model absorber in these studies.
Absorbance measurements were extracted from the measured ring-down times and a
detection limit was obtained. Four cavity lengths were constructed to determine the
effect on the scattering losses with varying cavity lengths. The calculated detection limit
for the CRD spectrometer used in this study was found to be in the range of 4-5 nM. It
was found that the detection limit of the CRD spectrometer was 36 times lower than that
of the commercial instrument. Aligning the cavity mirrors at longer cavity lengths
proved to be more difficult; however, there were no significant additional losses observed
by incorporating longer cavities.
Advisors/Committee Members: Stephen C. Foster (chair), David O. Wipf (committee member), Steven R. Gwaltney (committee member), Todd E. Mlsna (committee member), Dongmao Zhang (committee member).
Subjects/Keywords: NORMAL INCIDENCE; LIQUIDS; RING-DOWN; CAVITY
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Culbertson, B. J. (2012). CAVITY RING-DOWN SPECTROSCOPY OF LIQUID SAMPLES USING STANDARD CUVETTES AT NORMAL INCIDENCE. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03282012-151151/ ;
Chicago Manual of Style (16th Edition):
Culbertson, Bryan James. “CAVITY RING-DOWN SPECTROSCOPY OF LIQUID SAMPLES USING STANDARD CUVETTES AT NORMAL INCIDENCE.” 2012. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-03282012-151151/ ;.
MLA Handbook (7th Edition):
Culbertson, Bryan James. “CAVITY RING-DOWN SPECTROSCOPY OF LIQUID SAMPLES USING STANDARD CUVETTES AT NORMAL INCIDENCE.” 2012. Web. 16 Apr 2021.
Vancouver:
Culbertson BJ. CAVITY RING-DOWN SPECTROSCOPY OF LIQUID SAMPLES USING STANDARD CUVETTES AT NORMAL INCIDENCE. [Internet] [Doctoral dissertation]. Mississippi State University; 2012. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03282012-151151/ ;.
Council of Science Editors:
Culbertson BJ. CAVITY RING-DOWN SPECTROSCOPY OF LIQUID SAMPLES USING STANDARD CUVETTES AT NORMAL INCIDENCE. [Doctoral Dissertation]. Mississippi State University; 2012. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03282012-151151/ ;

Mississippi State University
28.
Vangala, Karthikeshwar.
Probing protein and organothiol interactions with gold nanoparticles.
Degree: PhD, Chemistry, 2012, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10312012-124144/
;
► Proteins and organothiols are known for their high binding affinity to noble metal surface including gold nanoparticles (AuNPs). Numerous reports have been dedicated to…
(more)
▼ Proteins and organothiols are known for their high binding affinity to noble metal
surface including gold nanoparticles (AuNPs). Numerous reports have been dedicated to
AuNP interaction with protein or organothiol alone. Competitive protein and organothiol
(OT) interaction is, however, mostly an unexplored area. The research reported here
focused on developing a fundamental understanding of sequential and simultaneous
protein and organothiol interaction with AuNPs in which protein and OT are added either
simultaneously or sequentially into the colloidal AuNP solutions.
In studies of OT interactions with bovine serum albumin (BSA) stabilized AuNPs,
we found that the protein coating layer is highly porous and permeable for small
molecules such as mercaptobenzimidazole (MBI), cysteine (Cys), homocysteine (Hcy),
and glutathione (GSH). Based on the amounts of MBI adsorbed and the kinetics of MBI
adsorption onto BSA stabilized AuNPs, we were able to get an insight into protein
conformational changes on the AuNPs. The competitive and sequential studies of protein
and OT interactions with AuNPs involving eight model organothiols showed that the
protein and OT co-adsorption onto AuNPs is a kinetically controlled process. The AuNP
stability against ligand-adsorption-induced AuNP aggregation differed significantly
among the AuNP/OT and AuNP/BSA/OT mixtures where the AuNP stability order
increased from (AuNP/OT)/BSA to AuNP/(BSA/OT), and finally (AuNP/BSA)/OT
samples (the two components inside the parenthesis are mixed first followed by the
addition of the third component). The studies on the role of cysteine in protein-AuNP
interactions found that the cysteine has no significant effect on the kinetics of protein
adsorption onto AuNPs. However the stability of the protein-AuNP complex against the
organothiol-adsorption induced AuNP aggregation increased as the number of cysteine
residues increased from zero to two. Besides providing new insights on protein
interaction with AuNPs, this research is important for AuNP biological/biomedical
applications because AuNPs in biofuids encounter a mixture of proteins and OTs in
addition to other molecular species.
Advisors/Committee Members: Edwin A. Lewis (committee member), Todd E. Mlsna (committee member), Svein Saebo (committee member), Joseph P. Emerson (committee member), Dongmao Zhang (chair).
Subjects/Keywords: organothiol; protein; Gold nanoparticles
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Vangala, K. (2012). Probing protein and organothiol interactions with gold nanoparticles. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10312012-124144/ ;
Chicago Manual of Style (16th Edition):
Vangala, Karthikeshwar. “Probing protein and organothiol interactions with gold nanoparticles.” 2012. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10312012-124144/ ;.
MLA Handbook (7th Edition):
Vangala, Karthikeshwar. “Probing protein and organothiol interactions with gold nanoparticles.” 2012. Web. 16 Apr 2021.
Vancouver:
Vangala K. Probing protein and organothiol interactions with gold nanoparticles. [Internet] [Doctoral dissertation]. Mississippi State University; 2012. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10312012-124144/ ;.
Council of Science Editors:
Vangala K. Probing protein and organothiol interactions with gold nanoparticles. [Doctoral Dissertation]. Mississippi State University; 2012. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10312012-124144/ ;

Mississippi State University
29.
Wang, Yulin.
Investigation of the structure-activity relationship of pseudo-single-crystal platinum electrodes by scanning electrochemical microscopy.
Degree: PhD, Chemistry, 2013, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10282013-174139/
;
► The study of the structure-activity relationship of electrode surfaces is fundamentally important in electrocatalysis research. Yet, the methods and techniques used for the examination…
(more)
▼ The study of the structure-activity relationship of electrode surfaces is
fundamentally important in electrocatalysis research. Yet, the methods and techniques
used for the examination of structure-activity relationship so far are limited by their
capabilities, and the exploration of electrochemistry at complex surfaces is very
challenging. In this study, the correlation between the electrode surface structure and its
corresponding activity in two electrochemical reactions were investigated: an
electrochemical etching reaction and an electrocatalysis reaction.
A polycrystalline Pt electrode was galvanically etched to expose the underlying
well-defined crystallites serving as pseudo-single-crystal electrodes. Atomic force
microscopy (AFM) complemented with electron backscatter diffraction (EBSD) was
employed for the elucidation of the effects of electrode surface structure on its etching
rate. Electrochemical measurements of the electrocatalytic activity of the hydrogen
oxidation reaction on individual grain surfaces were performed with high spatial
resolution scanning electrochemical microscopy (SECM) coupled with electron
backscatter diffraction (EBSD).
The etching experiment and surface characterization results show the more deeply
etched regions on polycrystalline Pt surface correspond to Pt(100). The etching rate of the
Pt catalyst is Pt(111), Pt(100), and Pt(110) in increasing order.
The structure-reactivity relationship showed that the catalytic activity for hydrogen
oxidation reaction (HOR) increases in the order Pt(100) < Pt(110) < Pt(111), where the
Miller index plane represents the terrace orientation of the high-index facets. A clear
correlation is observed between the increase in HOR activity and step sites density on a
given base orientation. Quantitative kinetic measurements at crystal domains were made
from current-potential plots and SECM approach curves.
Advisors/Committee Members: Todd E. Mlsna (committee member), Dongmao Zhang (committee member), Stephen C. Foster (committee member), William P. Henry (committee member), David Wipf (chair).
Subjects/Keywords: high-index surface; crystallographic orientation
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APA (6th Edition):
Wang, Y. (2013). Investigation of the structure-activity relationship of pseudo-single-crystal platinum electrodes by scanning electrochemical microscopy. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-10282013-174139/ ;
Chicago Manual of Style (16th Edition):
Wang, Yulin. “Investigation of the structure-activity relationship of pseudo-single-crystal platinum electrodes by scanning electrochemical microscopy.” 2013. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-10282013-174139/ ;.
MLA Handbook (7th Edition):
Wang, Yulin. “Investigation of the structure-activity relationship of pseudo-single-crystal platinum electrodes by scanning electrochemical microscopy.” 2013. Web. 16 Apr 2021.
Vancouver:
Wang Y. Investigation of the structure-activity relationship of pseudo-single-crystal platinum electrodes by scanning electrochemical microscopy. [Internet] [Doctoral dissertation]. Mississippi State University; 2013. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10282013-174139/ ;.
Council of Science Editors:
Wang Y. Investigation of the structure-activity relationship of pseudo-single-crystal platinum electrodes by scanning electrochemical microscopy. [Doctoral Dissertation]. Mississippi State University; 2013. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-10282013-174139/ ;

Mississippi State University
30.
Gadogbe, Manuel.
Interactions of organodithiols with gold and silver nanoparticles in water.
Degree: PhD, Chemistry, 2016, Mississippi State University
URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212016-151435/
;
► Organodithiols including para-aryl dithiols (PADTs, HS-(C6H4)n-SH, n = 1, 2 and 3) and alpha, omega-alkanedithiols (ADTs, HS-(CH2)n-SH, n = 2, 4, ) with two…
(more)
▼ Organodithiols including para-aryl dithiols (PADTs, HS-(C
6H
4)
n-SH, n = 1, 2 and 3) and alpha, omega-alkanedithiols (ADT
s, HS-(CH
2)
n-SH, n = 2, 4, ) with two distal thiols have been used extensively in molecular electronics, surface-enhanced Raman spectroscopy (SERS), and quantum electron tunneling between two gold or silver nanoparticles (AuNPs and AgNPs). The popular belief is that these dithiols cross-link noble metal nanoparticles (NPs) as monolayer dithiolate spacers. Reported is the finding that PADTs predominantly exist as monothiolate forms on AuNPs or AgNPs. No PADT-induced NP cross-linking was observed regardless of NP/PADT concentration ratios. 1,4-benzenedimethanethiol (HS-CH
2-(C
6H
4)-CH
2-SH) and ADT can be completely deprotonated, forming dithiolates on AuNPs and AgNPs, while only one PADT thiol can be deprotonated even when PADTs are treated with concentrated NaOH or AgNO
3. AuNP localized surface plasmon resonance (LSPR) measurement provides conclusive evidence that ADT in AuNP junctions primarily consisted of dithiolate monomers in which the two sulfides are either attached to the same AuNP, or cross-link two adjacent AuNPs as single-molecular spacers. However, ADT molecules most likely in the area surrounding the AuNP junction are monothiolate with their distal thiols either remaining
intact or forming disulfide cross-links with neighboring adsorbed ADTs. The possibility for ADT to cross-link two AgNPs as single molecular linker is excluded on the basis of TEM measurements that showed ADT-induced AgNP disintegration. This work highlights the difference between organothiol interactions with AgNPs and AuNPs and should be of broad importance for plasmonic NP research given the popularity of PADTs in molecular electronics and SERS applications.
Advisors/Committee Members: Dr. Dongmao Zhang (chair), Dr. David O. Wipf (committee member), Dr. Todd E. Mlsna (committee member), Dr. Joseph P. Emerson (committee member), Dr. Stephen C. Foster (committee member).
Subjects/Keywords: dithiols; silver nanoparticles; gold nanoparticles; para-aryl dithiols
Record Details
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Record Details
Similar Records
Cite
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Gadogbe, M. (2016). Interactions of organodithiols with gold and silver nanoparticles in water. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212016-151435/ ;
Chicago Manual of Style (16th Edition):
Gadogbe, Manuel. “Interactions of organodithiols with gold and silver nanoparticles in water.” 2016. Doctoral Dissertation, Mississippi State University. Accessed April 16, 2021.
http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212016-151435/ ;.
MLA Handbook (7th Edition):
Gadogbe, Manuel. “Interactions of organodithiols with gold and silver nanoparticles in water.” 2016. Web. 16 Apr 2021.
Vancouver:
Gadogbe M. Interactions of organodithiols with gold and silver nanoparticles in water. [Internet] [Doctoral dissertation]. Mississippi State University; 2016. [cited 2021 Apr 16].
Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212016-151435/ ;.
Council of Science Editors:
Gadogbe M. Interactions of organodithiols with gold and silver nanoparticles in water. [Doctoral Dissertation]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212016-151435/ ;
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