Analytical Chemistry Commons^™

Computational Methods For The Differential Profiling Of Triacylglycerols Using Rp-Hplc/Apci-Ms, Margaret Holbrook Broadwater

MUSC Theses and Dissertations

Reversed phase liquid chromatography with atmospheric pressure chemical ionization mass spectrometry (RP-HPLC/APCI-MS) was employed for the analysis of natural mixtures of triacylglycerols. An integrated framework for data analysis, including preprocessing, statistical analysis and automated structure identification, was implemented in the R statistical program. Raw data stored as mzXML, mzData, or mzXML files are preprocessed using a series of steps for peak detection, chromatographic alignment, and normalization. Targeted and non-targeted feature selection steps are employed to filter the data for features that are relevant and informative for a particular biological question. Triacylglycerol structures are identified by evaluating relationships between the diacylglycerol …

Development Of Mass Spectrometric Methods For The Analysis Of Serotonin And Related Compounds In Biological Matrices, Merisa Moriarty

Theses

Serotonin is a major neurotransmitter in the brain and affects various functions both in the brain and in the rest of the body. It has been linked to depression, migraines, and aggression, as well as many psychiatric disorders including schizophrenia, dementia and anorexia nervosa. It also has been associated with conditions like Alzheimer’s disease along with other neurotransmitters such as dopamine.

The aim of this research project is to develop various mass spectrometric methods for the analysis of serotonin, dopamine and similar indoles in both urine and serum matrices. This thesis provides extensive reviews detailing a general overview of serotonin …

Characterizing Dissolved Organic Matter And Cu2+, Zn2+, Ni2+, And Pb2+ Binding In Salt Water And Implications For Toxicity, Rachael L. Diamond

Theses and Dissertations (Comprehensive)

The binding of metal to dissolved organic matter in aquatic environments is important in controlling the bioavailability and potential toxicity of metals such as Zn²⁺, Pb²⁺, Ni²⁺ and Cu²⁺. The purpose of this research is to: (i) quantify binding capacity to different sources of marine organic matter at environmentally relevant concentrations; (ii) test fluorescence quenching and voltammetric method for use in seawater conditions and; (iii) compare predicted speciation parameters with toxicological observations in the same samples.

Information regarding the solubility of copper and copper compounds is important for risk assessment and can be …

Laboratory Methods For The Advancement Of Wastewater Treatment Modeling, Holly E. Gray

Theses and Dissertations (Comprehensive)

To achieve the low levels of total phosphorus required in wastewater treatment plant effluent all chemical forms of phosphorus should be removed. The most refractory phosphorus in terms of removal is so-called “organic phosphorus”. This thesis explores potential relationships between dissolved organic matter and organic phosphorus and methods of removing organic phosphorus from waste water. Fluorescence spectroscopy will be used to characterize dissolved organic matter (DOM) in wastewater. The fluorescent DOM will then be monitored throughout the various wastewater treatment plants to investigate any changes throughout the treatment train. Correlations between fluorophore concentrations (concentrations determined for the different classifications of …

Synthesis And Flame Retardant Testing Of New Boronated And Phosphonated Aromatic Compounds, Vladimir Benin, Sravanthi Durganala, Alexander Morgan

Chemistry Faculty Publications

The present report describes the preparation and use of some dimethyl terephthalate derivatives in transition metal-catalyzed coupling reactions to produce new reactive flame retardants. Dimethyl iodoterephthalate and dimethyl 2,5-diiodoterephthalate were successfully employed in the preparation of phosphonic and boronic esters and acids. The latter were tested for heat release with a microcombustion calorimeter (ASTM D7309) to determine the potential for heat release reduction of these flame retardant molecules. The results showed that the addition of boronic or phosphonic acids greatly lowered the heat release, due to a condensed phase (char formation) mechanism. Adding ester groups to the boronic acids or …

Features For Non-Targeted Cross-Sample Analysis With Comprehensive Two-Dimensional Chromatography, Stephen E. Reichenbach, Xue Tian, Chiara Cordero, Qingping Tao

School of Computing: Faculty Publications

This review surveys different approaches for generating features from comprehensive two-dimensional chromatography for non-targeted cross-sample analysis. The goal of non-targeted cross-sample analysis is to discover relevant chemical characteristics (such as compositional similarities or differences) from multiple samples. In non-targeted analysis, the relevant characteristics are unknown, so individual features for all chemical constituents should be analyzed, not just those for targeted or selected analytes. Cross-sample analysis requires matching the corresponding features that characterize each constituent across multiple samples so that relevant characteristics or patterns can be recognized. Non-targeted, cross-sample analysis requires generating and matching all features across all samples. Applications of …

Quantitative Analysis Of Some Important Metals And Metalloids In Tobacco Products By Inductively Coupled Plasma-Mass Spectrometry (Icp-Ms), Syed Ghulam Musharraf, Muhammad Shoaib, Amna Jabbar Siddiqui, Muhammad Najam-Ul-Haq, Aftab Ahmed

Pharmacy Faculty Articles and Research

Background: Large scale usage of tobacco causes a lot of health troubles in human. Various formulations of tobacco are extensively used by the people particularly in developing world. Besides several toxic tobacco constituents some metals and metalloids are also believed to pose health risks. This paper describes inductively coupled plasma-mass spectrometric (ICP-MS) quantification of some important metals and metalloids in various brands of smoked, sniffed, dipped and chewed tobacco products.

Results: A microwave-assisted digestion method was used for sample preparation. The method was validated by analyzing a certified reference material. Percentage relative standard deviation (% R.S.D.) between recovered …

Investigation Of Factors Influencing Trichloromethane Levels In Milk And Its Control., Siobhan Ryan

Theses

Trichloromethane (TCM) is an undesirable chemical residue that can develop in milk. While TCM levels in milk are not within ranges of public health concern, it is important that minimal levels are maintained in order to promote the marketing of Irish dairy products abroad. Germany has enacted strict regulations on TCM concentrations in foodstuffs with a recommended level of0.002 mg/kg and re-analyse those milks, subsequent to cause identification and provision of advice on reducing TCM levels in milk. Milk samples were analysed using Gas chromatography (GC) with electron capture detection. The GC method was adapted and a standard curve was …

Techniques For Sensor-Integrated Robotic Systems: Raman Spectra Analysis, Image Guidance, And Kinematic Calibration, Luke Anthony Reisner

Wayne State University Dissertations

Robotics and sensor technology have made impressive advancements over the years. There are now robotic systems that help perform surgeries or explore the surface of Mars, and there are sensors that detect trace amounts of explosives or identify diseased human tissue. The most powerful systems integrate robots and sensors, which are natural complements to each other. Sensors can provide information that might otherwise be unavailable due to indirect robotic manipulation (e.g., images of the target environment), and robots can provide suitably precise positioning of an analytical sensor.

To have an effective sensor-integrated robotic system, multiple capabilities are needed in the …

Electrochemistry, Transport Properties And Electronic Spectroscopy Of Lanthanide Solutes In Bis(Trifluoromethylsulfonyl)Imide-Based Ionic Liquids, Yunfeng Pan

Electronic Theses and Dissertations

No abstract provided.

Microscopic And Spectroscopic Analysis Of Wo3 And Ti-Doped Wo3 Thin Films, Young Taek Yun

Open Access Theses & Dissertations

Tungsten oxide (WO3) has been a subject of high interest for its unique properties, and recently for its importance in different types of industrial applications which ranges from non-emissive displays, optical, microelectronic, catalytic/photocatalytic, humidity, temperature, gas, and biosensor devices. In this study, WO3 and Ti doped thin films were prepared using radio frequency magnetron reactive sputtering at different substrate temperatures ranging from room temperature to 500 ºC in increments of 100 ºC. After forming a hypothesis based on knowledge of established WO3 properties, we attempt in this work to investigate how the doping influences the roughness and the mean grain …

Biosensing Systems For The Detection Of Bacterial Quorum Sensing Molecules: A Tool For Investigating Bacteria-Related Disorders And Food Spoilage Prevention, Nilesh G. Raut

Theses and Dissertations--Chemistry

Quorum sensing enables bacteria to communicate with bacteria of the same or different species, and to modulate their behavior in a cell-density dependent manner. Communication occurs by means of small quorum sensing signaling molecules (QSMs) whose concentration is proportional to the population size. When a QSM threshold concentration is reached, certain genes are expressed, thus allowing control of several processes, such as, virulence factor production, antibiotic production, and biofilm formation. Not only many pathogenic bacteria are known to produce QSMs, but also QSMs have been identified in some bacteria-related disorders. Therefore, quantitative detection of QSMs present in clinical samples may …

Novel Aromatic Ion–Pairs: Synergy Between Electrostatics And Π-Face Aromatic Interactions, Pramod Prasad Poudel

Theses and Dissertations--Chemistry

This dissertation focuses on the design and study of charged aromatic molecules where weak π-π interactions synergize with electrostatic interactions to enhance the overall interaction between aromatic moieties. Each chapter investigates some aspect of this hypothetical synergy between electrostatics and π-face aromatic cohesion.

The first chapter unveiled the importance of electrostatics in the intramolecular stacking of flexible aromatic molecular templates 1-2Br and 2a. While our previous studies found dicationic molecular template 1-2Br to have intramolecular π-stacking between electron poor pyridinium and electron rich xylylene moieties, no such stacking interaction was observed in the neutral analog 2a.

Chapter two systematically …

Determination Of Select Metal Ions In Commercially Available Conventional And Organic Baby Foods., Neva S. Winters

Electronic Theses and Dissertations

The goal of this study is to determine whether or not there is an appreciable difference between concentrations of various metal ions present in conventionally grown and processed and organically grown and processed baby foods. Two prominent, commercially available brands were chosen to undergo comparative studies between both their own conventional and organic varieties of second stage green beans and carrots. Samples were tested for cadmium, calcium, iron, lead, nickel, and zinc. Two containers of each variety of baby food were sampled in triplicate, with purchases of foods being made in separate areas to ensure that each set came from …

Survey Of Flavonoids And Their Distribution In Different Kinds Of Onions Using High Performance Liquid Chromatography And Gas Chromatography Mass Spectrometry., Archana Racharla

Electronic Theses and Dissertations

This research is done to determine the distribution of flavonoids in diverse varieties of onions (commercial and wild onions). Reflux extraction method was done on dried onions and the abstracts were analyzed subsequently by high performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GCMS). Statistical calculations were done to see if there are significant differences in the varieties of onions studied from the chromatographic profiles obtained. The chromatograms obtained were patterned using visual observations, scatter plot study, correlation co-efficient, and ANOVA to evaluate the significant difference of the distribution of flavonoids in varieties of onions. The organic white onions seem …

Development Of A Novel Electron-Transfer Secondary Reaction Matrix, Characterization Of The Site–Specificity Of Novel Bilin-Lyase, And Fundulus Grandis Protein Expression Investigation Using Mass Spectrometry, Mohamed N. Boutaghou

LSU New Orleans Theses and Dissertations

Reported in this dissertation are the results of investigations performed at the New Orleans Center for Mass Spectrometry at the University of New Orleans. The projects that are detailed in the coming pages take on a variety of subjects, but a common thread is that each employs matrix-assisted laser desorption/ionization (MALDI) mass spectrometry to solve a problem. Fundamental aspects of MALDI in-plume ionization are implicated in the introduction of a newly developed electron-transfer secondary ionization matrix. The remaining projects are related to the ever expanding field of proteomics. Mass spectrometry was used to investigate the site specificity of a newly …

Affinity Chromatography In Environmental Analysis And Drug-Protein Interaction Studies, Efthimia Papastavros

Department of Chemistry: Dissertations, Theses, and Student Research

This dissertation will examine the use of novel affinity sorbents to extract emerging contaminants from water. These contaminants include carbamazepine, an anti-epileptic drug which is resistant to natural degradation in the environmental and to drinking water treatment procedures. This drug has been found in fish, drinking water, estuarine and coastal waters, and river sediment and has been used as a general marker of contaminants in wastewater. Carbamazepine was one of the most commonly detected compounds in surface-water and groundwater samples in a recent reconnaissance study of untreated drinking water sources in the U.S. Besides using this drug as a representative …

Development And Optimization Of Organic Based Monoliths For Use In Affinity Chromatography, Erika L. Pfaunmiller

Department of Chemistry: Dissertations, Theses, and Student Research

Affinity chromatography is an important and useful tool for studying biological interactions, such as the binding of an antibody with an antigen. Monolithic supports offer many advantages over traditional packed bed supports in affinity chromatography, including their ease of preparation, low back pressures and good mass transfer properties. Monoliths can be broken down into two basic categories: organic (polymer) and inorganic (silica) monoliths. There are many varieties of polymer based monoliths; however, a large focus has been on co-polymers of glycidyl methacrylate (a functional monomer) and ethylene dimethacrylate (a cross-linking agent). The solvents of choice for making this type of …

Chemical Modification On Gold Slides To Gain Better Control Of Patterning Techniques, Ragini Vuppalapati

Masters Theses & Specialist Projects

Nanolithography is a rapidly evolving field that requires new combinations of techniques to improve patterning and to assist in fabricating electromechanical devices. An increasing number of applications require surfaces with defined regions of different chemical functionality. In our previous project optimum conditions for lithographic patterning were determined and potential blockers were identified to reduce force on the tip.

This work is focused on identifying good chemical modifications that will allow better control of basic patterning and to investigate the minimum force of patterning required while using each chemical system. The primary aim is to gain better control of basic pattern …

Method Development And Validation Of The Quantitation Of 19 Antipsychotics Using Deuterated Internal Standards, Anthony S. Epps

Chemistry Theses

Antipsychotic drugs or neuroleptics are used primarily for psychiatric disorders such as schizophrenia, psychosis, and bipolar disorder. In forensic science antipsychotics are drugs of considerable interest because of their potential abuse, involvement in suicides, and they are frequently associated with sudden death investigations. Well-characterized and fully validated analytical data is necessary to generate reproducible and reliable results. As a result, data can be correctly interpreted and objectively demonstrate in its applicability for the intended use. This research has developed and validated a method that is selective, sensitive and accurate using liquid chromatography–tandem mass spectrometry (LC–MS/MS) for the simultaneous determination of …