Physical Sciences and Mathematics Commons^™

Quantum Computations And Molecular Dynamics Simulations: From The Fundamentals Of Antimicrobial Resistance To Neurological Diseases, Angel Tamez

Electronic Theses and Dissertations

Biophysical phenomena are modeled using a combination of quantum and classical methods to interpret and supplement three distinct and diverse problems in this dissertation. In the first project, decarboxylation reactions are ubiquitous across chemical and biological disciplines, yet the origin of non-catalytic solvent effects remains elusive. Specific solvent structure and energetics have not been well described for the monoanion of malonate, nor corrected from the gas-phase charge-assisted intramolecular hydrogen bond model known as “pseudochair”. In the aqueous phase, a low-lying energy conformer known as the “orthogonal conformation” is computed to be preferred by a three-water cluster of hydrogen bonding over …

Hydrologic Modeling With Remote Sensing For The Estimation Of Groundwater Resources Within The Sand River Catchment, South Africa, Sophia Bakar

Electronic Theses and Dissertations

The Sand River Catchment is an important tributary of the transboundary Limpopo River in South Africa, which spans Botswana, Mozambique, South Africa, and Mozambique. Groundwater is a critical resource in the region, especially in the context of population growth and climate change. Data are needed for proper management of these water resources. In regions where groundwater data are sparse in time, space, or both, the most promising solutions come from satellites and hydrologic models. Regional literature suggests that the Soutpansberg Mountains, located within the Sand Catchment, are high-elevation water towers with uncertain groundwater resources. Improved understanding of groundwater resources in …

To Destroy Or Transform? Two Fossil Fuel Transitions Offer Glimpse Into Industry’S Future, Chloe Bennett, Sarah Kerson

Capstones

In 2019, the Philadelphia Energy Solutions oil refinery closed after a dangerous explosion. But for years before the accident, members of the local environmental justice organization Philly Thrive had been advocating for its closure. Neighborhood residents who live near the refinery site had been complaining for years of health problems, ranging from asthma to cancer. “Enough is enough,” says Sylvia Bennett, 79, who lives in the Grays Ferry neighborhood near where the refinery is located. Her two daughters have both been diagnosed with cancer.

What will become of the refinery site remains to be seen as conversations between Hilco and …

Chemical Elements, Flavor Chemicals, And Nicotine In Unused And Used Electronic Cigarettes Aged 5–10 Years And Effects Of Ph, Monique Williams, Wentai Luo, Kevin J. Mcwhirter, Omeka Ikegbu, Prue Talbot

Chemistry Faculty Publications and Presentations

The concentrations of elements/metals, nicotine, flavor chemicals and acids were compared in the e-liquids of unused and used first-generation electronic cigarettes (ECs) that were stored for 5–10 years. Metal analysis was performed using inductively coupled plasma optical emission spectroscopy; nicotine and flavor chemical analyses were performed using gas chromatography/mass spectroscopy. Of the 22 elements analyzed, 10 (aluminum, chromium, copper, iron, lead, nickel, selenium, silicon, tin, zinc) were often found in the e-liquids. Five elements had the highest average concentrations: copper (1161.6 mg/L), zinc (295.8 mg/L), tin (287.6 mg/L), nickel (71.1 mg/L), and lead (50.3 mg/L). Nicotine concentrations were always lower …

Utilizing Remote Sensing Technology To Relocate Lubra Village And Visualize Flood Damages, Ronan Wallace

Mathematics, Statistics, and Computer Science Honors Projects

As weather patterns change worldwide, isolated communities impacted by climate change go unnoticed and we need community and habitat-conscious solutions. In Himalayan Mustang, Nepal, indigenous Lubra village faces threats of increasing flash flooding. After every flood, residual concrete-like sediment hardens across the riverbed, causing the riverbed elevation to rise. As elevation increases, sediment encroaches on Lubra’s agricultural fields and homes, magnifying flood vulnerability. In the last monsoon season alone, the village witnessed floods swallowing several fields and damaging two homes. One solution considers relocating the village to a new location entirely. However, relocation poses a challenging task, as eight centuries …

Speciated Isotope Dilution Mass Spectrometry In Combination With Thor’S Hammer Metaspike Technology For The Assessment Of Low-Level Biomarkers For Human Health Evaluation, Ashley Ebert

Electronic Theses and Dissertations

Our research team has been focused on quantifying important biological analytes in human blood samples to delineate the biochemical processes underlying certain states of dysfunction and evaluate treatment efficacy. These efforts have been guided by laboratory measurements with the input of medical experts. Speciated isotope dilution mass spectrometry (SIDMS) explained in detail in EPA Method 6800 has been successfully applied in the quantification of an important biomarker analyte for immune function and detoxification processes: glutathione. Past research has proven the molecule a biomarker for autism spectrum disorder (ASD) in the form of the reduced/oxidized glutathione (GSH/GSSG) ratio, and literature has …

Sunflower Oil-Based Polyol In Flame-Retardant Rigid Polyurethane Foams, Magdalene Asare

Electronic Theses & Dissertations

The current shift from solely depending on petroleum sources to seeking renewable alternatives is due to their fast depletion, spike in prices, and the need to reduce our carbon footprint. For instance, the polyurethane industry currently calls for renewable and less toxic polyols and isocyanates for their synthesis over the traditionally used ones. To tackle an aspect of this matter, this work investigates the generation of polyol from sunflower oil, and further probes their use in rigid foams, one of the widely utilized polyurethanes. Epoxidation and ring-opening reactions were used to convert the sunflower oil into a more reactive form, …

Bio-Based Uv-Curable Films And The Effect Of Bio-Content On The Properties Of The Films, Sahilkumar Chaudhary

Electronic Theses & Dissertations

The use of renewable resources in film formation has become a new focal point for industry because it is abundantly available and has less carbon emission during production than traditional ones. This has drawn researchers to investigate the functionality of bio-based raw materials and their end-usage. By modifying their chemical structures, the properties of these films like thermal resistance, impact resistance, and chemical resistance can be increased. In this research, limonene was used as a partial replacement for petroleum-based chemicals in film formation. A two-step chemical process was carried out to modify the limonene and the final product was used …

Model-Based Cross-Correlation Search For Gravitational Waves From The Low-Mass X-Ray Binary Scorpius X-1 In Ligo O3 Data, R. Abbott, H. Abe, Fausto Acernese, Teviet Creighton, Mario C. Diaz, Francisco Llamas, Soma Mukherjee, Gaukhar Nurbek, Volker Quetschke, Wenhui Wang

Physics & Astronomy Faculty Publications

We present the results of a model-based search for continuous gravitational waves from the low-mass X-ray binary Scorpius X-1 using LIGO detector data from the third observing run of Advanced LIGO and Advanced Virgo. This is a semicoherent search that uses details of the signal model to coherently combine data separated by less than a specified coherence time, which can be adjusted to balance sensitivity with computing cost. The search covered a range of gravitational-wave frequencies from 25 to 1600 Hz, as well as ranges in orbital speed, frequency, and phase determined from observational constraints. No significant detection candidates were …

Acetylacetone Oxidation At Room Temperature: A Multiplexed Photoionization Mass Spectrometric Investigation, Study Of The Russell Intermediates In Gas Phase Reactions, And The Investigation Of Oxidation Reaction Products Of Ethanol At Room Temperature, Sara Gallarati

Master's Theses

This thesis presents the combustion study of acetyl acetone using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at 298 K. The experiments were performed at the Chemical Dynamics Beamline 9.0.2 at the Advanced Light Source of the Lawrence Berkeley National Laboratory. The reaction of acetyl acetone with chlorine (Cl) radicals was analyzed based on their photoionization spectra and reaction kinetic profiles.

Additionally, a study of the Russell intermediate has been performed. Previous to experimentation at the Advanced Light Source, computational analysis has been investigated to evaluate compounds that could possibly lead to the formation of a stable species. The …

Coordination Chemistry Of Uranyl Ions With Surface-Immobilized Peptides: An Xps Study, Esha Mishra, Cody M. Schultz, Rebecca Lai, Peter A. Dowben

Department of Physics and Astronomy: Faculty Publications

The coordination chemistry of uranyl ions with surface immobilized peptides was studied using X-ray photoemission spectroscopy (XPS). All the peptides in the study were modified using a six-carbon alkanethiol as a linker on a gold substrate with methylene blue as the redox label. The X-ray photoemission spectra reveal that each modified peptide interacts differently with the uranyl ion. For all the modified peptides, the XPS spectra were taken in both the absence and presence of the uranium, and their comparison reveals that the interaction depends on the chemical group present in the peptides. The XPS results show that, among all …

Mitigation Impact Of Statewide Non-Pharmaceutical Policies On Covid-19: An Application Of Infectious Disease Transmission Model And Partially Observed Markov Process To New Mexico, Xingya Ma

Mathematics & Statistics ETDs

This thesis is an application of epidemiological models for infectious disease transmission and the use of partially observed Markov process (POMP) for model fitting. It focuses on COVID-19 pandemic in the state of New Mexico. The analysis covered March 2020 to June 2021. Daily data of COVID19 cases and deaths and a daily index of eleven statewide government non-pharmaceutical intervention (NPI) policies were collected from six public sources and were validated. These data were integrated through the Susceptible-Exposed-Infected-Removed (SEIR) model. Estimated daily transmission rates between the model compartments quantify the impact of the mitigation policies, and show that transmission rates …

Assessments Of Water Chemistry And Fish Community Structure In The Buffalo Creek Watershed, Tributary To The Allegheny River In Armstrong And Butler Counties, Pennsylvania, Kathleen Wilson

Electronic Theses and Dissertations

The Buffalo Creek watershed has experienced water quality impairments for various reasons, including but not limited to, agricultural influence, abandoned mine drainage (AMD), on-site wastewater malfunction, and stormwater. The source and cause of the most prevalent impaired areas remains unknown. The goal of this study was to analyze water chemistry using state water quality standards and mass ratio analysis, then to conduct fish community analysis. We found toxic metal pollution across the watershed, with iron, cadmium, copper, and selenium frequently exceeding criteria. We determined which streams are polluted by resource extraction activities by conducting mass ratio analysis. We found conventional …

Possible Overestimation Of Nitrogen Dioxide Outgassing During The Beirut 2020 Explosion, Ashraf Farahat, Nayla El-Kork, Ramesh P. Singh, Feng Jing

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

On 4 August 2020, a strong explosion occurred near the Beirut seaport, Lebanon and killed more than 200 people and damaged numerous buildings in the vicinity. As Amonium Nitrate (AN) caused the explosion, many studies claimed the release of large amounts of NO₂ in the atmosphere may have resulted in a health hazard in Beirut and the vicinity. In order to reasonably evaluate the significance of NO₂ amounts released in the atmosphere, it is important to investigate the spatio-temporal distribution of NO₂ during and after the blast and compare it to the average day-to-day background emissions from …

Socio‑Economic Inequalities In Minimum Dietary Diversity Among Bangladeshi Children Aged 6–23 Months: A Decomposition Analysis, Satyajit Kundu, Pranta Das, Ashfikur Rahman, Hasan Al Banna, Kaniz Fatema, Akhtarul Islam, Shobhit Srivastava, T. Muhammad, Rakhi Dey, Ahmed Hossain

Department of Statistics: Faculty Publications

This study aimed to measure the socio-economic inequalities in having minimum dietary diversity (MDD) among Bangladeshi children aged 6–23 months as well as to determine the factors that potentially contribute to the inequity. The Bangladesh Demographic and Health Survey (BDHS) 2017–2018 data were used in this study. A sample of 2405 (weighted) children aged 6–23 months was included. The overall weighted prevalence of MDD was 37.47%. The concentration index (CIX) value for inequalities in MDD due to wealth status was positive and the concentration curve lay below the line of equality (CIX: 0.1211, p < 0.001), where 49.47% inequality was contributed by wealth status, 25.06% contributed by the education level of mother, and 20.41% contributed by the number of ante-natal care (ANC) visits. Similarly, the CIX value due to the education level of mothers was also positive and the concentration curve lay below the line of equality (CIX: 0.1341, p < 0.001), where 52.68% inequality was contributed by the education level of mother, 18.07% contributed by wealth status, and 14.69% contributed by the number of ANC visits. MDD was higher among higher socioeconomic status (SES) groups. Appropriate intervention design should prioritize minimizing socioeconomic inequities in MDD, especially targeting the contributing factors of these inequities.

Uncertainty Of Icesat-2 Atl06- And Atl08-Derived Snow Depths For Glacierized And Vegetated Mountain Regions, Ellyn M. Enderlin, Colten M. Elkin, Madeline Gendreau, H.P. Marshall, Shad O'Neel, Christopher Mcneil, Caitlyn Florentine, Louis Sass

Geosciences Faculty Publications and Presentations

Seasonal snow melt dominates the hydrologic budget across a large portion of the globe. Snow accumulation and melt vary over a broad range of spatial scales, preventing accurate extrapolation of sparse in situ observations to watershed scales. The lidar onboard the Ice, Cloud, and land Elevation, Satellite (ICESat-2) was designed for precise mapping of ice sheets and sea ice, and here we assess the feasibility of snow depth-mapping using ICESat-2 data in more complex and rugged mountain landscapes. We explore the utility of ATL08 Land and Vegetation Height and ATL06 Land Ice Height differencing from reference elevation datasets in two …

Low-Resource Machine Learning Techniques For The Analysis Of Online Social Media Textual Data, Toktam Amanzadeh Oghaz

Electronic Theses and Dissertations, 2020-2023

Low-resource and label-efficient machine learning methods can be described as the family of statistical and machine learning techniques that can achieve high performance without needing a substantial amount of labeled data. These methods include both unsupervised learning techniques, such as LDA, and supervised methods, such as active learning, each providing different benefits. Thus, this dissertation is devoted to the design and analysis of unsupervised and supervised techniques to provide solutions for the following problems: Unsupervised narrative summary extraction for social media content, Social media text classification with Active Learning (AL), Investigating restrictions and benefits of using Curriculum Learning (CL) for …

Quantifying Volatile Fatty Acid Concentrations During The Pretreatment And Anaerobic Digestion Process, Sascha Boutelle

Theses and Dissertations

Producing renewable energy from biomass or from the wastewater treatment process has gained momentum in the past 20 years. Anaerobic digestion has historically been used as one step in the waste treatment process, to both reduce the mass of waste that needs to be disposed of and to generate biogas. This process is typically only able to reduce 30-40% of the waste mass because of the recalcitrant nature of the waste streams being treated. Anaerobic pretreatment with the thermophilic bacteria Caldicellulosiruptor bescii (C. bescii) has been proven to increase the percentage of mass digested and consequently increase methane production to …

Investigation Of The Effect Of Corundum Layer On The Heat Transfer Of Sic Slab, Sri Elsa Fatmi, Donanta Dhaneswara, Muhammad Anis, Ahmad Ashari

Journal of Materials Exploration and Findings

Aluminum is the most widely used metal in industry. Aluminum smelting is one of the important steps that needs to be carried out to produce products made of aluminum metal with good quality. In the process of smelting aluminum there are several problems that occur, one of which is the growth of corundum in Si C refractories which affects the quality of aluminum melt and the durability of Si C refractories. This research was conducted to see the heat transfer in Si C and the effect of the presence of Corundum on heat transfer. This research was carried out by …

Dynamic Rbi With Central Difference Method Approach In Calculation Of Uniform Corrosion Rate: A Casestudy On Gas Pipelines, M.Riefqi Dwi Alviansyah, Fernanda Hartoyo, Zahra Nadia Nurullia, Ari Kurniawan

Journal of Materials Exploration and Findings

The oil and gas industry generally uses a piping system to drain fluids. Even though the pipes used have been well designed, the use of pipes as a means of fluid transportation still provides the possibility of failure that can occur at any time, one of which is due to uniform corrosion. The use of standard Risk Based Inspection (RBI) according to the API RBI 581 document has been widely used to anticipate potential failures to pipe components. The use of standard RBI can reduce the risk of failure significantly. Because the standard RBI considers the component risk value to …

Effects Of Exposure To Atmospheric Humidity On Breakdown Field Strength Measurements Of Polymers, Megan Loveland Dewaal

Physics Capstone Projects

This study investigates the effects of absorbed water introduced via exposure to atmospheric humidity on electrostatic breakdown field strength measurements of polymers. Conducting breakdown tests under sample conditions appropriate for different applications is essential. If the breakdown field strength is overestimated for an application, an insulator may be used inappropriately in high electric fields where they are more likely to break down. Comparisons are made between: sets of pristine samples, samples that underwent a thorough vacuum bake out to remove absorbed water, and samples subject to subsequent incremental prolonged atmospheric exposure. These investigated the effects of absorbed water and determined …

Is Cybersecurity Training Practical Or Not?, Bhawnish Sharma

Cybersecurity Undergraduate Research Showcase

With technology growing, there has been an increase in cybercrime. Because of this, private and public sectors face global problems, i.e., phishing, security breaches, and identity theft. With cybersecurity software available on the internet, anyone can access it. As technology advances, cybersecurity experts must answer the tough question of, “is cybersecurity training practical or not”?

Travel Dashboard, Naveen Kumar Lalam

Masters Projects

Travel Dashboard is a one stop solution for all the travel needs of travelers and tourists visiting a new place. In today’s world travel has become a part of everyone’s life and we love to travel whenever there is a holiday or long a weekend. Earlier, the travel industry was mostly dictated by tour operators who used to plan and organize tours with standard itinerary, while tourists had very limited choices and needed to pick one of the itineraries given by operator as there was no other option left for them. Time have changed now as travelers love to plan …

Muse: A Genetic Algorithm For Musical Chord Progression Generation, Griffin Going

Masters Projects

Foundational to our understanding and enjoyment of music is the intersection of harmony and movement. This intersection manifests as chord progressions which themselves underscore the rhythm and melody of a piece. In musical compositions, these progressions often follow a set of rules and patterns which are themselves frequently broken for the sake of novelty. In this work, we developed a genetic algorithm which learns these rules and patterns (and how to break them) from a dataset of 890 songs from various periods of the Billboard Top 100 rankings. The algorithm learned to generate increasingly valid, yet interesting chord progressions via …

Observation Of Novel Phases Of Quantum Matter Beyond Topological Insulator, Sabin Regmi

Electronic Theses and Dissertations, 2020-2023

Because of the unique electronic properties, intriguing novel phenomena, and potentiality in quantum device applications, the quantum materials with non-trivial band structures have enticed a bulk of research works over the last two decades. The experimental discovery of the three-dimensional topological insulators (TIs) - bulk insulators with surface conduction via spin-polarized electrons - kicked off the flurry of research interests towards such materials, which resulted in the experimental discovery of new topological phases of matter beyond TIs. The topological semimetallic phase in Dirac, Weyl, and nodal-line semimetals is an example, where the classification depends on the dimensionality, degeneracy, and symmetry …

The Facile Preparation Of Bis(Imino)Pyridine Complexes Via Mechanochemistry And Inorganic Synthons Via Benign Reductants, Thomas Shaw

Electronic Theses and Dissertations, 2020-2023

This thesis is comprised of two key themes: (i) leveraging mechanochemical synthetic methods for the green preparation of bis(imino)pyridine ligands and associated first row transition metal coordination complexes, and (ii) the preparation and characterization of both historic and novel mid-valent inorganic synthons via the use of dimethylphenylsilane as a stoichiometric reducing agent. The first portion of this thesis highlights the utilization of solvent-free vibratory ball-milling in lieu of traditional, solvent-based refluxes. A variety of both bis(imino)pyridine ligands and complexes were formed in drastically reduced timeframes with solvent-economical work-up procedures. This methodology was also leveraged for the isolation of acetyl(imino)pyridine ligands …

Effect Of X-Ray Illumination On Magnetic Domain Memory In [Co/Pd]/Irmn Multilayers, Colby Singint Walker

Theses and Dissertations

This thesis focuses on investigating the possible x-ray illumination effects on the magnetic domain memory (MDM) in magnetic [Co/Pd]IrMn multilayers. In this material, MDM is induced via exchange couplings between the ferromagnetic Co/Pd layer and the antiferromagnetic IrMn layer. To carry out this investigation, we have used magneto-transport and x-ray resonant magnetic scattering. The use of magneto-transport in-situ at synchrotron x-ray scattering facility has allowed us to follow the gradual effect of x-ray illumination on the amount of exchange bias, initially present after field cooling the material. With our in-situ measurements we have been able to see that x-ray illumination …

Building A Deep Model For Multi-Class Coral Species Discrimination, Hyeong Gyu Jang

Masters Projects

The goal of this qualitative research project is to develop and optimize a multi-class discrimination model to identify different species of coral based on their digital images. Currently, there are artificial intelligence (AI) models that can distinguish between coral and other undersea objects such as sand or rocks, but to our knowledge the problem of multi-species classification has not yet been addressed. Given that coral reefs are a good indicator of overall ocean health, it is important to develop models that can classify the presence of different species in underwater images as a way to monitor the effects of climate …

Multi-Plane Light Conversion: Devices And Applications, Yuanhang Zhang

Electronic Theses and Dissertations, 2020-2023

Multi-plane light conversion (MPLC) has recently been developed as a versatile tool for manipulating spatial distributions of the optical field through repeated phase modulations. An MPLC Device consists of a series of phase masks separated by free-space propagation. It can convert one orthogonal set of beams into another orthogonal set through unitary transformation, which is useful for a number of applications. In telecommunication, for example, mode-division multiplexing (MDM) is a promising technology that will enable continued scaling of capacity by employing spatial modes of a single fiber. MPLC has shown great potential in MDM devices with ultra-wide bandwidth, low insertion …

Advanced Deep Learning Methodologies For Deepfake Detection, Aminollah Khormali

Electronic Theses and Dissertations, 2020-2023

The recent advances in the field of Artificial Intelligence (AI), particularly Generative Adversarial Networks (GANs) and an abundance of training samples along with robust computational resources have significantly propelled the field of AI-generated fake information in all kinds, e.g., deepfakes. Deepfakes are among the most sinister types of misinformation, posing large-scale and severe security and privacy risks targeting critical governmental institutions and ordinary people across the world. The fact that deepfakes are AI-generated digital content and not actual events captured by a camera implies that they still can be detected using advanced AI models. Although the deepfake detection task has …