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Full-Text Articles in Physical Sciences and Mathematics
Utilizing High Throughput Computing Techniques For The Predictions Of Spectroscopic Properties Of Astrophysically Relevant Molecules, Brian Ferrari
Utilizing High Throughput Computing Techniques For The Predictions Of Spectroscopic Properties Of Astrophysically Relevant Molecules, Brian Ferrari
Electronic Theses and Dissertations, 2020-
Here, we utilize Quantum Chemistry (QC) approaches to predict the structures, vibrational frequencies, infrared intensities and Raman activities of unusual molecular species using the General Atomic and Molecular Structure System (GAMESS(US)) package. A Python-based software, AutoGAMESS, was developed to automate the workflow and take advantage of High Throughput Computing (HTC) techniques enabling the automated generation of spectroscopic data from hundreds of calculations. This approach was utilized to determine these properties for a series of carbon oxides (C2On; n = 3 to 4), anticipated to be produced during the radiation of pure carbon dioxide ices, under conditions relevant to the interstellar …
Photoluminescence Properties Of Polycyclic Aromatic Sulfur Heterocycles And Their Sorption And Desorption Onto Microplastics., Sadia Arif
Electronic Theses and Dissertations, 2020-
Polycyclic aromatic sulfur heterocycles (PASHs) are sulfur analogues of polycyclic aromatic hydrocarbons (PAHs) commonly found in environmental samples exposed to oil contamination. The determination of PASHs in complex samples is far more difficult than PAHs because of the sulfur atom in the heterocyclic ring, which increases the total number of possible isomeric compounds. Since their toxicological properties vary considerably from isomer to isomer, the unambiguous determination of specific isomers in environmental samples is crucial for ecotoxicological purposes and human safety. GC-MS has been the primary analytical technique for the determination of PASHs in environmental samples. Unfortunately, as the number of …
Analysis Of Sexual Lubricants As A Form Of Trace Evidence For Sexual Assault Cases, Brooke Baumgarten
Analysis Of Sexual Lubricants As A Form Of Trace Evidence For Sexual Assault Cases, Brooke Baumgarten
Electronic Theses and Dissertations, 2020-
A major gap in sexual assault casework is demonstrated when DNA is not recovered. Oftentimes, if DNA evidence is not present on the collection swabs, the sexual assault kit (SAK) is not further analyzed. Due to the "CSI effect," DNA is commonly understood as highly identifiable evidence, potentially leading to increased condom usage to eliminate or reduce DNA transfer during a sexual assault. Therefore, the analysis of condoms and sexual lubricants is pertinent. The purpose of this research is to develop analytical protocols to potentially connect unknown substances recovered in a SAK to known lubricant reference samples. Sexual lubricants were …
Identification And Detection Of Cosmetics Transferred During Close Personal Attacks, Kandyss Najjar
Identification And Detection Of Cosmetics Transferred During Close Personal Attacks, Kandyss Najjar
Electronic Theses and Dissertations, 2020-
New types of trace evidence are necessary to account for the potential lack of evidence found during criminal investigations, due to perpetrators' awareness of common types such as latent prints, hair, and DNA. During cases involving close personal contact, such as sexual assault, perpetrators may not be aware of the possible transfer of cosmetics from or onto the victim or crime scene. Therefore, this project focused on analyzing and developing characterization schemes for cosmetic components, specifically glitter and shimmer particles. Analysis of these particles was performed using various analytical techniques, such as microscopy and spectroscopy techniques, and the developed characterization …
Analysis Of Lubricants At Trace Levels Using Infrared Spectroscopy, Tanmai Bandarupalli
Analysis Of Lubricants At Trace Levels Using Infrared Spectroscopy, Tanmai Bandarupalli
Honors Undergraduate Theses
Analysis of trace evidence involved in sexual assault investigations holds considerable potential as a newer avenue of identification when bulk, larger evidence is not found or unreliable. Trace analysis of forensic materials involves common findings such as strands of hair, residues left on clothing, shards of paint or glass, etc. In recent research focused on the analysis of trace materials found as evidence in a sexual assault, there has been promise in condom and bottled lubricant classification based on their chemical profiles that can provide an associative link in an investigation. Few studies have considered the examination of lubricant evidence …
Highly Reproducible Electrochemical Sensors Towards Wearable Applications And Pharmaceutical Analysis, Mohammad Rostampour Kakroudi
Highly Reproducible Electrochemical Sensors Towards Wearable Applications And Pharmaceutical Analysis, Mohammad Rostampour Kakroudi
Electronic Theses and Dissertations, 2020-
Ion-selective electrodes (ISEs) are widely used to monitor ions in various applications from environmental to clinical settings and pharmaceutical analysis. ISEs are a type of potentiometric sensor that provides a versatile, cost-effective, and efficient platform towards wearable sensing applications. Among the two different platforms of ISEs (solid-contact and liquid-contact), solid-contact ISEs are superior to ISEs with internal electrolytes (liquid-contact) since they are easy to be miniaturized, can be used in any environment and their portability is facilitated. Unfortunately, mass production and commercialization of such devices is often constrained by the requirement of sensor calibration. Thus, approaches for sensor manufacturing towards …
Applications Of The Match Model To Analyze Student Problem-Solving, Barbara Chiu
Applications Of The Match Model To Analyze Student Problem-Solving, Barbara Chiu
Honors Undergraduate Theses
Problem-solving has been recognized as a critical skill that students lack in the current education system, due to the use of algorithmic questions in tests that can be simply memorized and solved without conceptual understanding. Research on student problem-solving is needed to gain deeper insight into how students are approaching problems and where they lack proficiency so that instruction can help students gain a conceptual understanding of chemistry. The MAtCH (methods, analogies, theory, context, how) model was recently developed from expert explanations of their research and could be a valuable model to identify key components of student problem-solving. This project …
Classification Of Ground-Truth Fire Debris Samples Using Neural Networks, Nicholas Thurn
Classification Of Ground-Truth Fire Debris Samples Using Neural Networks, Nicholas Thurn
Electronic Theses and Dissertations, 2020-
Fire debris samples are currently analyzed according to ASTM E1618-19, which is the "Standard Test Method for Ignitable Liquid Residues in Extracts from Fire Debris Samples by Gas Chromatography-Mass Spectrometry." This method requires that an analyst make a visual comparison to an appropriate reference sample using the total ion and the extracted ion chromatograms. The analyst then provides an opinion about whether an ignitable liquid residue is present in the sample. The method is inherently subjective due to the visual interpretation that is needed. In order to automate this process, this work uses neural networks and a subset of the …
Polymer-Based And Functionalized 3d Microelectrode Array (Mea) Biosensors, Nilab Azim
Polymer-Based And Functionalized 3d Microelectrode Array (Mea) Biosensors, Nilab Azim
Electronic Theses and Dissertations, 2020-
Microphysiological systems are three-dimensional (3D) in vitro systems that recapitulate crucial biological aspects of cell heterogeneity and native tissue architecture by mimicking complex structures that are impossible in two-dimensional (2D) cell cultures. Microelectrode arrays (MEAs) are biosensors used to spatially and temporally monitor the activity of microphysiological systems by transducing cellular signals into electronic signals to provide quantitative data on the in vitro system. Conventional MEAs are typically planar in nature, however, 3D MEAs offer several advantages such as better simulation of an in vivo cellular environment and improved signal-to-noise ratio and cell-electrode coupling. MEA fabrication utilizing traditional cleanroom methods …