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Full-Text Articles in Physical Sciences and Mathematics

Photodynamic Treatment Of Staphylococcus Aureus With Non-Iron Hemin Analogs In The Presence Of Hydrogen Peroxide, Badhu Prashanthika Sivasubramaniam, Benjamin M. Washer, Yuichiro Watanabe, Kathryn E. Ragheb, J. Paul Robinson, Alexander Wei May 2024

Photodynamic Treatment Of Staphylococcus Aureus With Non-Iron Hemin Analogs In The Presence Of Hydrogen Peroxide, Badhu Prashanthika Sivasubramaniam, Benjamin M. Washer, Yuichiro Watanabe, Kathryn E. Ragheb, J. Paul Robinson, Alexander Wei

Department of Chemistry Faculty Publications

Bacteria subjected to antiseptic or antibiotic stress often develop tolerance, a trait that can lead to permanent resistance. To determine whether photodynamic agents could be used to counter tolerance, we evaluated three non-iron hemin analogs (M-PpIX; M = Al, Ga, In) as targeted photosensitizers for antimicrobial photodynamic inactivation (aPDI) following exposure to sublethal H2O2. Al-PpIX is an active producer of ROS whereas Ga- and In-PpIX are more efficient at generating singlet oxygen. Al- and Ga-PpIX are highly potent aPDI agents against S. aureus and methicillin-resistant strains (MRSA) with antimicrobial activity (3 log reduction in colony-forming units) at nanomolar concentrations. The …


Comparison Of The Fluorescence Of Bulk Cadmium Sulfide And Cadmium Sulfide Nanoparticles, Jacob Goranson May 2024

Comparison Of The Fluorescence Of Bulk Cadmium Sulfide And Cadmium Sulfide Nanoparticles, Jacob Goranson

Celebrating Scholarship and Creativity Day (2018-)

The fluorescence of bulk cadmium sulfide and cadmium sulfide nanoparticles were compared. This was done using an 800-nm, unamplified Ti:sapphire laser producing 50-fs pulses. The pulses were frequency doubled using a beta barium borate (BBO) crystal. The 400-nm beam was used to induce fluorescence in the nanoparticles, while the original 800-nm beam was used to induce fluorescence in the bulk CdS by two-photon absorption. The bulk CdS showed a single fluorescent peak at 523 nm. The nanoparticles showed fluorescence at various wavelengths across the visible spectrum. In general, the nanoparticles showed a broad fluorescent spectrum between 500 nm and 750 …


The Morphology, Spatial Distribution, And Collapse Mechanisms Of Volcanoes On Venus, Rebecca Mary Hahn May 2024

The Morphology, Spatial Distribution, And Collapse Mechanisms Of Volcanoes On Venus, Rebecca Mary Hahn

Arts & Sciences Graduate Student Theses and Dissertations

Radar imagery collected by NASA’s Magellan spacecraft enabled the recognition and classification of volcanic features and structures across Venus far beyond the scope of earlier missions. These datasets revealed volcanoes that range in size from <5 km to well over 100 km in diameter. Volcanism is clearly a major, widespread process on Venus, and is a principle expression of the planet’s secular loss of interior heat. For my doctoral work, I utilized ESRI’s ArcMap and ArcGIS Pro to develop a detailed global catalog of volcanoes across Venus to improve our understanding of the morphology, spatial, distribution, and evolution of volcanism on the second planet. Chapter 2 introduces the creation and implementation of my global catalog of volcanoes and volcanic fields on Venus. This new global dataset includes ∼85,000 edifices, ∼99% of which are <5 km in diameter and are geographically widespread across the entire planet. With this catalog, I developed an automated approach to delineating volcanic fields—high spatial concentrations of small volcanoes—and also noted a dearth of volcanoes 20–100 km in diameter, which could be related to the eruption rate and/or availability of the underlying magma supply. Chapter 3 focuses on a unique subset of 162 volcanoes on Venus that appear to have undergone gravitational deformation. These deformed edifices are distributed globally, are situated at a range of elevations, are spatially proximal to a variety of tectonic structures, and are associated with various crustal thickness values, which together suggest that there are numerous drivers of volcano deformation on Venus. Furthermore, I note examples of flank terraces on Tepev Mons, a structural indicator of volcano sagging that has not yet been documented on Venus. Lastly, Chapter 4 employs kernel density estimation as a tool at nine topographic rises, and nine volcanic fields across Venus to delineate regions where future volcano formation could occur, based on the locations of edifices ≤20 km in diameter from our global catalog developed in Chapter 2. These resulting volcano-formation probability maps reveal that the intensity of volcanism producing volcanoes ≤20 km in diameter in the Beta-Atla-Themis (BAT) region, an area well-known for its enhanced volcanism (Airey et al., 2017), is lower than at topographic rises across the rest of the planet. These maps can also be used to identify specific regions across Venus that future missions such as EnVision and VERITAS can image using their higher-resolution radars and thus search for newly formed volcanoes between the time of those missions and when the Venus surface was originally mapped by Magellan. Based on my analysis, I conclude that these missions should target specific regions of high-volcano-spatial density in and around Atla, Imdr, Themis, and Dione Regiones.


Design, Synthesis, Self-Assembly, And Applications Of Functional Bottlebrush Architectures Through Ring-Opening Metathesis Polymerization, Yipei Zhang May 2024

Design, Synthesis, Self-Assembly, And Applications Of Functional Bottlebrush Architectures Through Ring-Opening Metathesis Polymerization, Yipei Zhang

Arts & Sciences Graduate Student Theses and Dissertations

Shear-thinning hydrogels are a class of materials with unique rheological properties that enable them to undergo a reversible reduction in viscosity under shear stress, which allows for easy injection. The injectability of shear-thinning hydrogels is particularly important when considering their use in biomedical applications, such as drug delivery, tissue engineering, and wound healing. However, before advancing to these applications, it is crucial to evaluate the “injectability” of new shear-thinning hydrogels to avoid clogging of the needle for injection. Injectability is typically associated with determining suitable viscosity, storage/loss moduli, and other factors, such as injection force (e.g., needle length and gauge …


A Realist Interpretation Of Unitarity In Quantum Gravity, Indrajit Sen, Stephon Alexander, Justin Dressel May 2024

A Realist Interpretation Of Unitarity In Quantum Gravity, Indrajit Sen, Stephon Alexander, Justin Dressel

Mathematics, Physics, and Computer Science Faculty Articles and Research

Unitarity is a difficult concept to implement in canonical quantum gravity because of state non-normalisability and the problem of time. We take a realist approach based on pilot-wave theory to address this issue in the Ashtekar formulation of the Wheeler–DeWitt equation. We use the postulate of a definite configuration in the theory to define a global time for the gravitational-fermionic system recently discussed in Alexander et al (2022 Phys. Rev. D 106 106012), by parameterising a variation of a Weyl-spinor that depends on the Kodama state. The total Hamiltonian constraint yields a time-dependent Schrodinger equation, without semi-classical approximations, which we …


Quantification Of Surface Layer Turbulence Using Sensible Heat Values From Energy Balance Versus Aerodynamic Methods, Steven T. Fiorino, Yogendra Raut, Jaclyn Schmidt, Laura Slabaugh, Blaine Fourman, Jack E. Mccrae, Benjamin C. Wilson, Santasri R. Bose-Pillai May 2024

Quantification Of Surface Layer Turbulence Using Sensible Heat Values From Energy Balance Versus Aerodynamic Methods, Steven T. Fiorino, Yogendra Raut, Jaclyn Schmidt, Laura Slabaugh, Blaine Fourman, Jack E. Mccrae, Benjamin C. Wilson, Santasri R. Bose-Pillai

Faculty Publications

Surface layer optical turbulence values in the form of the refractive index structure function C_n^2 are often calculated from surface layer temperature, moisture, and wind characteristics and compared to measurements from sonic anemometers, differential temperature sensors, and imaging systems. A key derived component needed in the surface layer turbulence calculations is the sensible heat value. Typically, the sensible heat is calculated using the bulk aerodynamic method that assumes a certain surface roughness and a friction velocity that approximates the turbulence drag on temperature and moisture mixing from the change in the average surface layer vertical wind velocity. These assumptions/approximations generally …


Domination On Bipolar Fuzzy Graph Operations: Principles, Proofs, And Examples, Haifa Ahmed, Mohammed Alsharafi May 2024

Domination On Bipolar Fuzzy Graph Operations: Principles, Proofs, And Examples, Haifa Ahmed, Mohammed Alsharafi

Neutrosophic Systems with Applications

Bipolar fuzzy graphs, capable of capturing situations with both positive and negative memberships, have found diverse applications in various disciplines, including decision-making, computer science, and social network analysis. This study investigates the domain of domination and global domination numbers within bipolar fuzzy graphs, owing to their relevance in these aforementioned practical fields. In this study, we introduce certain operations on bipolar fuzzy graphs, such as intersection, join, and union of two graphs. Furthermore, we analyze the domination number and the global domination number for various operations on bipolar fuzzy graphs, including intersection, join, and union of fuzzy graphs and their …


Fixed Point Results In Complex Valued Neutrosophic B-Metric Spaces With Application, M. Pandiselvi, M. Jeyaraman May 2024

Fixed Point Results In Complex Valued Neutrosophic B-Metric Spaces With Application, M. Pandiselvi, M. Jeyaraman

Neutrosophic Systems with Applications

In this manuscript, we introduce the idea of complex-valued Neutrosophic b-metric spaces along with numerous significant illustrations. We provide fixed-point results for contraction maps. To support the main result, we establish the existence and uniqueness of solutions for nonlinear integral equations after the work.


On Heptagonal Neutrosophic Semi-Open Sets In Heptagonal Neutrosophic Topological Spaces: Testing Proofs By Examples, Subasree R, Basarikodi K May 2024

On Heptagonal Neutrosophic Semi-Open Sets In Heptagonal Neutrosophic Topological Spaces: Testing Proofs By Examples, Subasree R, Basarikodi K

Neutrosophic Systems with Applications

In terms of heptagonal neutrosophic topological spaces, the purpose of this paper is to present the idea of heptagonal neutrosophic semi-open sets. Additionally, we examine a few of its characterizations and heptagonal neutrosophic semi-interior and heptagonal neutrosophic semi-closure operators.


Software Reliability Model Estimation For An Indeterministic Crime Cluster Through Reinforcement Learning, Dileep Kumar Kadali, R.N.V. Jagan Mohan, M. Chandra Naik May 2024

Software Reliability Model Estimation For An Indeterministic Crime Cluster Through Reinforcement Learning, Dileep Kumar Kadali, R.N.V. Jagan Mohan, M. Chandra Naik

Neutrosophic Systems with Applications

The software reliability model estimates the probability of data failure in a specific environment, significantly impacting reliability and trustworthiness. The paper study focuses on cluster crime data, i.e., indeterministic in Neutrosophic Logic, using a software reliability model. The study utilizes reinforcement learning, Neutrosophic logic, and non-homogeneous Poisson process crime data to estimate indeterministic cluster data in crime. The "Non-homogeneous Poisson Process with Neutrosophic Logic" technique performs well in evaluating and deterring crime based on crime data analysis. The crime cluster involving offenders correctly classified as failure to accomplish does better than uncertain cluster reliability estimation with least squares and logistic …


Engineering Education In The Age Of Ai: Analysis Of The Impact Of Chatbots On Learning In Engineering, Flor A. Bravo, Juan M. Cruz Bohorquez May 2024

Engineering Education In The Age Of Ai: Analysis Of The Impact Of Chatbots On Learning In Engineering, Flor A. Bravo, Juan M. Cruz Bohorquez

Henry M. Rowan College of Engineering Departmental Research

The purpose of this paper is to explore the influence of using AI chatbots on learning within the context of engineering education. We framed this study on the principles of how learning works in order to describe the contributions and challenges of AI chatbots in five categories: (1) facilitating the acquisition, completion, or activation of prior knowledge and helping organize knowledge and making connections; (2) enhancing student motivation to learn; (3) fostering self-directed learning and the acquisition, practice, and application of the skills and knowledge they acquire; (4) supporting goal-directed practice and feedback; and (5) addressing student diversity and creating …


Analytical And Numerical Analysis Of The Sirs Model, Catherine Nguyen May 2024

Analytical And Numerical Analysis Of The Sirs Model, Catherine Nguyen

Departmental Honors & Graduate Capstone Projects

Mathematical models in epidemiology describe how diseases affect and spread within a population. By understanding the trends of a disease, more effective public health policies can be made. In this paper, the Susceptible-Infected-Recovered-Susceptible (SIRS) Model was examined analytically and numerically to compare with the data for Coronavirus Disease 2019 (COVID-19). Since the SIRS model is a complex model, analytical techniques were used to solve simplified versions of the SIRS model in order to understand general trends that occur. Then by Euler's Method, the Runge-Kutta Method, and the Predictor-Corrector Method, computational approximations were obtained to solve and plot the SIRS model. …


2024 May 2 - Tennessee Weekly Drought Summary, Tennessee Climate Office, East Tennessee State University May 2024

2024 May 2 - Tennessee Weekly Drought Summary, Tennessee Climate Office, East Tennessee State University

Tennessee Climate Office Weekly Drought Summaries

No abstract provided.


Outlining The Hidden Curriculum: Perspectives On Successfully Navigating Scientific Conferences, Eduardo J. Caro-Diaz, Marcy J. Balunas, Lesley Ann Giddings, Sandra Loesgen, Brian T. Murphy, C. Benjamin Naman, Christine E. Salomon, Kevin J. Tidgewell, Jaclyn M. Winter May 2024

Outlining The Hidden Curriculum: Perspectives On Successfully Navigating Scientific Conferences, Eduardo J. Caro-Diaz, Marcy J. Balunas, Lesley Ann Giddings, Sandra Loesgen, Brian T. Murphy, C. Benjamin Naman, Christine E. Salomon, Kevin J. Tidgewell, Jaclyn M. Winter

Chemistry: Faculty Publications

Scientific conferences and meetings are valuable opportunities for researchers to network, communicate, and develop knowledge. For early career scientists, conferences can also be intimidating, confusing, and overwhelming, especially without having adequate preparation or experience. In this Perspective, we provide advice based on previous experiences navigating scientific meetings and conferences. These guidelines outline parts of the hidden curriculum around preparing for and attending meetings, navigating conference sessions, networking with other scientists, and participating in social activities while upholding a recommended code of conduct.


Domination On Bipolar Fuzzy Graph Operations: Principles, Proofs, And Examples, Haifa Ahmed, Mohammed Alsharafi May 2024

Domination On Bipolar Fuzzy Graph Operations: Principles, Proofs, And Examples, Haifa Ahmed, Mohammed Alsharafi

Neutrosophic Systems with Applications

Bipolar fuzzy graphs, capable of capturing situations with both positive and negative memberships, have found diverse applications in various disciplines, including decision-making, computer science, and social network analysis. This study investigates the domain of domination and global domination numbers within bipolar fuzzy graphs, owing to their relevance in these aforementioned practical fields. In this study, we introduce certain operations on bipolar fuzzy graphs, such as intersection, join, and union of two graphs. Furthermore, we analyze the domination number and the global domination number for various operations on bipolar fuzzy graphs, including intersection, join, and union of fuzzy graphs and their …


Approval Gap Of Weighted K-Majority Tournaments, Jeremy Coste, Breeann Flesch, Joshua D. Laison, Erin Mcnicholas, Dane Miyata May 2024

Approval Gap Of Weighted K-Majority Tournaments, Jeremy Coste, Breeann Flesch, Joshua D. Laison, Erin Mcnicholas, Dane Miyata

Theory & Applications of Graphs

A $k$-majority tournament $T$ on a finite set of vertices $V$ is defined by a set of $2k-1$ linear orders on $V$, with an edge $u \to v$ in $T$ if $u>v$ in a majority of the linear orders. We think of the linear orders as voter preferences and the vertices of $T$ as candidates, with an edge $u \to v$ in $T$ if a majority of voters prefer candidate $u$ to candidate $v$. In this paper we introduce weighted $k$-majority tournaments, with each edge $u \to v$ weighted by the number of voters preferring $u$.

We define the …


Signal Processing Algorithms For Doppler Lidar Sensors, Samantha Grubb May 2024

Signal Processing Algorithms For Doppler Lidar Sensors, Samantha Grubb

Physics and Astronomy Honors Papers

Light detection and ranging (LiDAR) is a remote sensing technology that obtains relative distance and velocity measurements between a sensor and a defined target by using light transmitted and received from the target. FMCW Doppler LiDAR, a particular variant of LiDAR, functions by analyzing the frequency shift in the reflected light to determine the target's range and velocity. This technology plays a crucial role across various sectors including defense, aerospace, and automotive. This paper presents signal processing algorithms designed to optimize data obtained from Doppler LiDAR sensors. By applying various window functions to time domain data, the Signal-to-Noise Ratio (SNR) …


Investigation Of Lignin Solubilization Using Quantum Chemical Calculations In Constrained Media, Leo Sanzone May 2024

Investigation Of Lignin Solubilization Using Quantum Chemical Calculations In Constrained Media, Leo Sanzone

Arts & Sciences Undergraduate Showcase

Lignin is a common, yet complex polymer found in a majority of vascular plants. The polymer can easily be functionalized, and it is a readily available and renewable source of carbon-based material without a petrol source. There are various methods to allow for the dissolution of lignin, one of which involves the use of H2O and CO2 in supercritical conditions. This particular solution bends the normal solvation rules and allows for multiple instances of H-bonding interactions.

By using Density Functional theory, this study aims to identify the molecular interactions of guaiacol (the most basic fragment of lignin) …


Outlining The Hidden Curriculum: Perspectives On Successfully Navigating Scientific Conferences, Eduardo J. Caro-Diaz, Marcy J. Balunas, Lesley Ann Giddings, Sandra Loesgen, Brian T. Murphy, C. Benjamin Naman, Christine E. Salomon, Kevin J. Tidgewell, Jaclyn M. Winter May 2024

Outlining The Hidden Curriculum: Perspectives On Successfully Navigating Scientific Conferences, Eduardo J. Caro-Diaz, Marcy J. Balunas, Lesley Ann Giddings, Sandra Loesgen, Brian T. Murphy, C. Benjamin Naman, Christine E. Salomon, Kevin J. Tidgewell, Jaclyn M. Winter

Chemistry: Faculty Publications

Scientific conferences and meetings are valuable opportunities for researchers to network, communicate, and develop knowledge. For early career scientists, conferences can also be intimidating, confusing, and overwhelming, especially without having adequate preparation or experience. In this Perspective, we provide advice based on previous experiences navigating scientific meetings and conferences. These guidelines outline parts of the hidden curriculum around preparing for and attending meetings, navigating conference sessions, networking with other scientists, and participating in social activities while upholding a recommended code of conduct.


On Heptagonal Neutrosophic Semi-Open Sets In Heptagonal Neutrosophic Topological Spaces: Testing Proofs By Examples, Subasree R, Basarikodi K May 2024

On Heptagonal Neutrosophic Semi-Open Sets In Heptagonal Neutrosophic Topological Spaces: Testing Proofs By Examples, Subasree R, Basarikodi K

Neutrosophic Systems with Applications

In terms of heptagonal neutrosophic topological spaces, the purpose of this paper is to present the idea of heptagonal neutrosophic semi-open sets. Additionally, we examine a few of its characterizations and heptagonal neutrosophic semi-interior and heptagonal neutrosophic semi-closure operators.


Fixed Point Results In Complex Valued Neutrosophic B-Metric Spaces With Application, M. Pandiselvi, M. Jeyaraman May 2024

Fixed Point Results In Complex Valued Neutrosophic B-Metric Spaces With Application, M. Pandiselvi, M. Jeyaraman

Neutrosophic Systems with Applications

In this manuscript, we introduce the idea of complex-valued Neutrosophic b-metric spaces along with numerous significant illustrations. We provide fixed-point results for contraction maps. To support the main result, we establish the existence and uniqueness of solutions for nonlinear integral equations after the work.


Energy Dependence Of Quasi-Periodic Oscillations In Accreting X-Ray Pulsars, Hemanth Manikantan, Biswajit Paul, Rahul Sharma, Pragati Pradhan, Vikram Rana May 2024

Energy Dependence Of Quasi-Periodic Oscillations In Accreting X-Ray Pulsars, Hemanth Manikantan, Biswajit Paul, Rahul Sharma, Pragati Pradhan, Vikram Rana

Publications

We present the results from an investigation of the energy dependence of quasi-periodic oscillations (QPOs) exhibited by accreting X-ray pulsars using data from archival XMM-Newton, NuSTAR, RXTE, and NICER observations. In a search for the presence of QPOs in 99 XMM-Newton and NuSTAR observations, we detected QPOs in eleven observations of five sources, viz., 4U 1626–67 (48 mHz), IGR J19294+1816 (30 mHz), V 0332+53 (2, 18, and 40 mHz), Cen X–3 (30 mHz), and XTE J1858+034 (180 mHz). A positive correlation of the QPO rms amplitude with energy is exhibited by 4U 1626–67, IGR J19294+1816, Cen X–3 and XTE J1858+034, …


Rosarugosides A And D From Osa Rugosa Flower Buds: Their Potential Anti-Skin-Aging Effects Intnf-Α-Induced Human Dermal Fibroblasts, Si-Young Ahn, Dae Sik Jang, Sullim Lee May 2024

Rosarugosides A And D From Osa Rugosa Flower Buds: Their Potential Anti-Skin-Aging Effects Intnf-Α-Induced Human Dermal Fibroblasts, Si-Young Ahn, Dae Sik Jang, Sullim Lee

Faculty, Staff and Student Publications

This present study investigated the anti-skin-aging properties of Rosa rugosa. Initially, phenolic compounds were isolated from a hot water extract of Rosa rugosa's flower buds. Through repeated chromatography (column chromatography, MPLC, and prep HPLC), we identified nine phenolic compounds (1-9), including a previously undescribed depside, rosarugoside D (1). The chemical structure of 1 was elucidated via NMR, HR-MS, UV, and hydrolysis. Next, in order to identify bioactive compounds that are effective against TNF-α-induced NHDF cells, we measured intracellular ROS production in samples treated with each of the isolated compounds (1- …


Zeolitic Imidazolate Framework-8 Encapsulated With Mo-Based Polyoxometalates As Surfaces With Antibacterial Activity Against Escherichia Coli, Mariam M. Abdelkhalek, Aya M. Mohamed, Rehab Z. Abdallah, Ghada E. Khedr, Rania Siam, Nageh K. Allam May 2024

Zeolitic Imidazolate Framework-8 Encapsulated With Mo-Based Polyoxometalates As Surfaces With Antibacterial Activity Against Escherichia Coli, Mariam M. Abdelkhalek, Aya M. Mohamed, Rehab Z. Abdallah, Ghada E. Khedr, Rania Siam, Nageh K. Allam

Faculty Journal Articles

Bacterial infections represent a major global health concern, causing millions of deaths and a significant economic burden. The development of antibacterial nanoporous surfaces with potential mechano-bactericidal effects can revolutionize infection control practices. In this study, a hybrid material of zeolitic imidazolate framework-8 (ZIF-8) doped with phosphomolybdic acid (PMA) was synthesized and characterized by field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and N2 sorption isotherms. PMA@ZIF-8 performance as an antibacterial agent against E. coli was superior to that of its individual constituents, suggesting a synergistic effect of PMA and ZIF-8. The …


Software Reliability Model Estimation For An Indeterministic Crime Cluster Through Reinforcement Learning, Dileep Kumar Kadali, R.N.V. Jagan Mohan, M. Chandra Naik May 2024

Software Reliability Model Estimation For An Indeterministic Crime Cluster Through Reinforcement Learning, Dileep Kumar Kadali, R.N.V. Jagan Mohan, M. Chandra Naik

Neutrosophic Systems with Applications

The software reliability model estimates the probability of data failure in a specific environment, significantly impacting reliability and trustworthiness. The paper study focuses on cluster crime data, i.e., indeterministic in Neutrosophic Logic, using a software reliability model. The study utilizes reinforcement learning, Neutrosophic logic, and non-homogeneous Poisson process crime data to estimate indeterministic cluster data in crime. The "Non-homogeneous Poisson Process with Neutrosophic Logic" technique performs well in evaluating and deterring crime based on crime data analysis. The crime cluster involving offenders correctly classified as failure to accomplish does better than uncertain cluster reliability estimation with least squares and logistic …


Incorporating Solvent Effects In Dft: Insights From Cation Exchange In Faujasites, An T. Ta, Ayoub Daouli, R. Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G. Hennig, Hans Conrad Zur Loye, Michael Badawi, Simon R. Phillpot May 2024

Incorporating Solvent Effects In Dft: Insights From Cation Exchange In Faujasites, An T. Ta, Ayoub Daouli, R. Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G. Hennig, Hans Conrad Zur Loye, Michael Badawi, Simon R. Phillpot

Faculty Publications

Zeolites are versatile materials renowned for their extra-framework cation exchange capabilities, with applications spanning diverse fields, including nuclear waste treatment. While detailed experimental characterization offers valuable insight, density functional theory (DFT) proves particularly adept at investigating ion exchange in zeolites, owing to its atomic and electronic resolution. However, the prevalent occurrence of zeolitic ion exchange in aqueous environments poses a challenge to conventional DFT modeling, traditionally conducted in a vacuum. This study seeks to enhance zeolite modeling by systematically evaluating predictive differences across varying degrees of aqueous solvent inclusion. Specifically focusing on monovalent cation exchange in Na-X zeolites, we explore …


Star-Based Reachability Analysis Of Binary Neural Networks On Continuous Input, Mykhailo Ivashchenko May 2024

Star-Based Reachability Analysis Of Binary Neural Networks On Continuous Input, Mykhailo Ivashchenko

School of Computing: Dissertations, Theses, and Student Research

Deep Neural Networks (DNNs) have become a popular instrument for solving various real-world problems. DNNs’ sophisticated structure allows them to learn complex representations and features. However, architecture specifics and floating-point number usage result in increased computational operations complexity. For this reason, a more lightweight type of neural networks is widely used when it comes to edge devices, such as microcomputers or microcontrollers – Binary Neural Networks (BNNs). Like other DNNs, BNNs are vulnerable to adversarial attacks; even a small perturbation to the input set may lead to an errant output. Unfortunately, only a few approaches have been proposed for verifying …


Anodic Cyclizations To Form Alkaloid Ring Systems And The Role Of The Second Oxidation Step, Zachary Tyler Medcalf May 2024

Anodic Cyclizations To Form Alkaloid Ring Systems And The Role Of The Second Oxidation Step, Zachary Tyler Medcalf

Arts & Sciences Graduate Student Theses and Dissertations

In chapter 1 we will explore the essential background on electrochemistry and anodic cyclization reactions, laying the foundation for understanding the subsequent chapters. In chapter 2, we will explore the mechanistic model established for anodic olefin coupling reactions and the importance of the second oxidation step in the success of these reactions. We showed how a fast second oxidation step can be used to push an anodic cyclization down a kinetic pathway. We will also explore how this step impacts the generation of product in photoelectron-transfer initiated radical cation reactions. It is evident that a fast second oxidation step alone …


Including Methane Emissions From Agricultural Ponds In National Greenhouse Gas Inventories, Martino E. Malerba, Tertius De Kluyver, Nicholas J. Wright, Odebiri Omosalewa, Peter I. Macreadie May 2024

Including Methane Emissions From Agricultural Ponds In National Greenhouse Gas Inventories, Martino E. Malerba, Tertius De Kluyver, Nicholas J. Wright, Odebiri Omosalewa, Peter I. Macreadie

Climate Science Research Articles

Agricultural ponds are a significant source of greenhouse gases, contributing to the ongoing challenge of anthropogenic climate change. Nations are encouraged to account for these emissions in their national greenhouse gas inventory reports. We present a remote sensing approach using open-access satellite imagery to estimate total methane emissions from agricultural ponds that account for (1) monthly fluctuations in the surface area of individual ponds, (2) rates of historical accumulation of agricultural ponds, and (3) the temperature dependence of methane emissions. As a case study, we used this method to inform the 2024 National Greenhouse Gas Inventory reports submitted by the …


Peace With Painful Memories, Mona Muzammil, Muzammil Arshad, Washain Muzammil May 2024

Peace With Painful Memories, Mona Muzammil, Muzammil Arshad, Washain Muzammil

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

This Book helps you identify and heal from childhood emotional neglect so you can be more connected and emotionally present in your life.

Do you sometimes feel like you’re just going through the motions in life? Do you often act like you’re fine when you secretly feel lonely and disconnected? Perhaps you have a good life and yet somehow, it’s not enough to make you happy. Or perhaps you drink too much, eat too much, or risk too much to feel something good. If so, you are not alone and you may be suffering from emotional neglect.

Are you one …