Digital Commons Network^™

Influence Of Oil Density On Self-Propelled Motion Of Belousov-Zhabotinsky Reaction Droplet, Vivek Bharat Meshram, Anupama Sebastian, Puthiyapurayil Sibeesh, T K Shajahan

Northeast Journal of Complex Systems (NEJCS)

Belousov-Zhabotinsky reaction serves as an example of the nonlinear chemical oscillator in which the reacting substance undergoes sequential oxidation and reduction. A droplet containing the BZ reaction, when placed within the oily environment, can self-propel. In this experimental work, we explore the effect of oil medium density on the BZ reaction droplet dynamics. In an oil medium with lower density, the BZ droplet exhibits higher speed and effective diffusivity but a shorter lifetime. Both the distance and speed of the droplet initially increase with droplet volume. However, beyond a critical volume, the distance decreases while the speed stays constant. Interestingly, …

Towards More Sustainable Oceans: A Review Of The Pressing Challenges Posed By Marine Plastic Litter, Peter Yang

Faculty Scholarship

Marine littering is a global challenge and a significant threat to a sustainable planet, requiring comprehensive and effective mechanisms to address it in a comprehensive manner. This study reports on a bibliometric analysis that has identified the extent to which the topic has been explored in the international literature, by focusing on geographical scope, the emphasis on (micro)plastic litter and on policy measures. Additionally, as a complement to the assessment of the recent literature on marine plastic litter, this study reviews some case studies, identifying some trends on how to cope with this problem. The findings underscore the imperative for …

Mutational Scanning And Binding Free Energy Computations Of The Sars-Cov-2 Spike Complexes With Distinct Groups Of Neutralizing Antibodies: Energetic Drivers Of Convergent Evolution Of Binding Affinity And Immune Escape Hotspots, Mohammed Alshahrani, Vedant Parikh, Brandon Foley, Nishank Raisinghani, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

The rapid evolution of SARS-CoV-2 has led to the emergence of variants with increased immune evasion capabilities, posing significant challenges to antibody-based therapeutics and vaccines. In this study, we conducted a comprehensive structural and energetic analysis of SARS-CoV-2 spike receptor-binding domain (RBD) complexes with neutralizing antibodies from four distinct groups (A–D), including group A LY-CoV016, group B AZD8895 and REGN10933, group C LY-CoV555, and group D antibodies AZD1061, REGN10987, and LY-CoV1404. Using coarse-grained simplified simulation models, rapid energy-based mutational scanning, and rigorous MM-GBSA binding free energy calculations, we elucidated the molecular mechanisms of antibody binding and escape mechanisms, identified key …

Restore The Shore: A Guide To Lakeshore Revegetation In The Great Basin, Jes V. Braun, Rae Robinson, Annie L. Henry, Karin M. Kettenring

All Current Publications

Lakeshore vegetation supports many valuable aspects of lake ecosystems: foraging areas for birds, rearing grounds for fish, nutrient cycling, carbon storage, and aesthetic, cultural, and spiritual values. Yet, the vegetation of many lakeshores has been lost or heavily impacted by humans. What can be done to restore lakeshore vegetation to ensure that lakes remain healthy for future generations? In this guide, we summarize best practices for lakeshore revegetation (i.e., the process of actively reintroducing vegetation, usually native species, to a restoration site through seeding and planting) in the Great Basin.

Characterization Of 1,8-Cineole (Eucalyptol) From Myrtle And Its Potential Antibacterial And Antioxidant Activities*, Humera Khan

Karbala International Journal of Modern Science

1,8-Cineole is a naturally occurring chemical molecule predominantly found in fragrant plants, particularly Myrtle. Its aroma is distinctive and has been the subject of numerous investigations due to its various biological actions. This study examines the characterization of 1,8-Cineole derived from Myrtle and investigates its antibacterial and antioxidant properties. This study seeks to compare 1,8-Cineole with antibiotics like Amoxicillin and Tetracycline, and moreover, to investigate its antioxidant capabilities against diverse bacterial strains (both Gram-positive and Gram-negative). 1,8-Cineole exhibits the most effective antibacterial properties, demonstrating an inhibition zone of 12.00 mm against Staphylococcus aureus and 10.00 mm against Pseudomonas aeruginosa. …

Photocathodes From Aerobic Oxidation Of Tellurorhodamines, Amelia Jellison

Dissertations and Theses

Growing environmental concerns have facilitated an increased need for renewable energy. Solar energy is an excellent source of renewable energy, however current dye-sensitized solar cells are not efficient enough for commercial use. This thesis attempts to create a novel dye-sensitized cathode to increase the efficiency of dye-sensitized solar cells.

Dye-sensitized cathodes could lower the energy level on the cathode and thereby increase the overall efficiency of the solar cell, however until now it has not been attempted. A tellurorhodamine dye with a mesityl ring was chosen as the dye for its ability to aerobically oxidize in the presence of light. …

Locational Data And The Public Interest, William A. Herbert, Micahel Goodchild, Richard Appelbaum, Jeremy Crampton, Gary Langham, Krzysztof Janowicz, Mei-Po Kwan, Katina Michael, Lisa Schamess

Publications and Research

This article presents a paper developed by the AAG Organizing Committee on Locational Information and the Public Interest through a summit held in Santa Barbara, California in June 2022. The summit resulted in goals and ideas for addressing the issues that arise from the present environment for geodata, whereby public, private, and third-sector entities can tap into publicly available locational information with relatively little regulation on its access or use. The Committee articulates four goals: (1) develop a research agenda extending across disciplines, (2) outline educational resources and strategies to guide ethical practice, (3) devise a pathway to increase public …

Multimodal Search On A Line, Jared Coleman, Dmitry Ivanov, Evangelos Kranakis, Danny Krizanc, Oscar Morales Ponce

Computer Science Faculty Works

Inspired by the diverse set of technologies used in underground object detection and imaging, we introduce a novel multimodal linear search problem whereby a single searcher starts at the origin and must find a target that can only be detected when the searcher moves through its location using the correct of p possible search modes. The target’s location, its distance d from the origin, and the correct search mode are all initially unknown to the searcher. We prove tight upper and lower bounds on the competitive ratio for this problem. Specifically, we show that when p is odd, the optimal …

Quantitative Characterization And Prediction Of The Binding Determinants And Immune Escape Hotspots For Groups Of Broadly Neutralizing Antibodies Against Omicron Variants: Atomistic Modeling Of The Sars-Cov-2 Spike Complexes With Antibodies, Mohammed Alshahrani, Vedant Parikh, Brandon Foley, Nishank Raisinghani, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

A growing body of experimental and computational studies suggests that the cross-neutralization antibody activity against Omicron variants may be driven by the balance and tradeoff between multiple energetic factors and interaction contributions of the evolving escape hotspots involved in antigenic drift and convergent evolution. However, the dynamic and energetic details quantifying the balance and contribution of these factors, particularly the balancing nature of specific interactions formed by antibodies with epitope residues, remain largely uncharacterized. In this study, we performed molecular dynamics simulations, an ensemble-based deep mutational scanning of SARS-CoV-2 spike residues, and binding free energy computations for two distinct groups …

Filters For Forecasting Crop Health: Analyzing And Projecting The Temporal Evolution Of Landsat Ndvi Data Using Dynamic Linear Models And The Kalman Filter, Kamal Albousafi, Hossein Moradi, Jung-Han Kimn

SDSU Data Science Symposium

Accurately forecasting food availability is a critical task. One approach involves utilizing remote sensing data, such as satellite images, to observe the health of crop fields using different Vegetation Indices (VI). The Normalized Difference Vegetation Index (NDVI) provides a sound metric to track the “greenness” of crops over time. In this research, we develop statistical models that capture the dynamics of NDVI time series data to make better predictions of its future values. The median NDVI of the pixels of a farm located in Edmunds County, South Dakota, is obtained using imagery from the Landsat 5 and Landsat 8 satellites, …

Epr Imaging Workshop: From Theory And Practice To Applications, Arthur H. Heiss, Ralph T. Weber, Sandra S. Eaton, Gareth R. Eaton

TeachEPR Submissions

Methods of imaging and insights from imaging are described. Practical aspects of sample type and dimensions are described.

Workshop presented at the 27th International EPR Symposium, sponsored by Bruker BioSpin EPR Division and the University of Denver, in Denver, Colorado on August 1, 2004.

Workshop On The Epr Of Aqueous Samples, Gareth R. Eaton

TeachEPR Submissions

The problem with water and other materials that absorb microwave energy are described. Dielectric properties are described as a function of frequency.

Workshop presented at the 25th International EPR Symposium on July 28, 2002.

Electro-Oxidative Deoxyfluorination Of Arenes With Net3·3hf, En Chih Liu, Sabrina M. Reich, Mayank Tanwar, Matthew Neurock, Long Luo, Melanie S. Sanford

Chemistry Faculty Research & Creative Works

This report describes the design, development, and optimization of an electrochemical deoxyfluorination of arenes using a tetrafluoropyridine-derived leaving group. NEt₃·3HF serves as the fluoride source, and the reactions are conducted using either constant potential or constant current electrolysis in an undivided electrochemical cell. Mechanistic studies support a net oxidative pathway, in which initial single-electron oxidation generates a radical cation intermediate that is trapped by fluoride. The resulting radical undergoes a second oxidation reaction, followed by the loss of the leaving group to yield the fluoroarene product.

Comparing In-Person, Standard Telehealth, And Remote Musculoskeletal Examination With A Novel Augmented Reality Exercise Game System: Pilot Cross-Sectional Comparison Study, Richard Wu, Keerthana Chakka, Sara Belko, Ninad Khargonkar, Kevin Desai, Balakrishnan Prabhakaran, Thiru Annaswamy

SKMC Student Presentations and Publications

BACKGROUND: Current telemedicine technologies are not fully optimized for conducting physical examinations. The Virtual Remote Tele-Physical Examination (VIRTEPEX) system, a novel proprietary technology platform using a Microsoft Kinect-based augmented reality game system to track motion and estimate force, has the potential to assist with conducting asynchronous, remote musculoskeletal examinations.

OBJECTIVE: This pilot study evaluated the feasibility of the VIRTEPEX system as a supplement to telehealth musculoskeletal strength assessments.

METHODS: In this cross-sectional pilot study, 12 study participants with upper extremity pain and/or weakness underwent strength evaluations for four upper extremity movements using in-person, telehealth, VIRTEPEX, and composite (telehealth plus VIRTEPEX) …

Advances In Pyrazolo[1,5-A]Pyrimidines: Synthesis And Their Role As Protein Kinase Inhibitors In Cancer Treatment, Terungwa H. Iorkula, Osasere Jude Kelly Osayawe, Daniel A. Odogwu, Latifat Oluwatobi Ganiyu, Emmanuel Faderin, Raymond Femi Awoyemi, Busayo Odunayo Akodu, Ikhazuagbe Hilary Ifijen, Omowunmi Rebecca Aworinde, Peter Agyemang, Odo Lovelyn Onyinyechi

Michigan Tech Publications

Pyrazolo[1,5-a]pyrimidines are a notable class of heterocyclic compounds with potent protein kinase inhibitor (PKI) activity, playing a critical role in targeted cancer therapy. Protein kinases, key regulators in cellular signalling, are frequently disrupted in cancers, making them important targets for small-molecule inhibitors. This review explores recent advances in pyrazolo[1,5-a]pyrimidine synthesis and their application as PKIs, with emphasis on inhibiting kinases such as CK2, EGFR, B-Raf, MEK, PDE4, BCL6, DRAK1, CDK1 and CDK2, Pim-1, among others. Several synthetic strategies have been developed for the efficient synthesis of pyrazolo[1,5-a]pyrimidines, including cyclization, condensation, three-component reactions, microwave-assisted methods, and green chemistry approaches. Palladium-catalyzed crosscoupling …

Infrared Cooling In An Anharmonic Cascade Framework: 2-Cyanoindene, The Smallest Cyano-Pah Identified In Tmc-1, Mark H. Stockett, Vincent J. Esposito, Eleanor K. Ashworth, Ugo Jacovella, James N. Bull

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Infrared (IR) cooling of polycyclic aromatic hydrocarbon (PAH) molecules is a major radiative stabilization mechanism of PAHs present in space and is the origin of the aromatic infrared bands (AIBs). Here, we report an anharmonic cascade model in a master equation framework to model IR emission rates and emission spectra of energized PAHs as a function of internal energy. The underlying (simple harmonic cascade) framework for fundamental vibrations has been developed through the modeling of cooling rates of PAH cations and other carboneaous ions measured in electrostatic ion storage ring experiments performed under “molecular cloud in a box” conditions. The …

Motion Of Nitroxide Radicals, Gareth R. Eaton

TeachEPR Submissions

A brief outline is presented of how motion of a nitroxide radical can be estimated from the continuous wave (CW) EPR line shape.

Discovery And Functional Characterization Of Biomarkers In Clear Cell Renal Cell Carcinoma, Wagma Caravan

Arts & Sciences Graduate Student Theses and Dissertations

Not all tumors are created equally, nor should they be treated as such. Modern research has uncovered a multitude of genetic aberrations, genomic dysregulation, and epigenetic modifications that contribute to cancer. While cancers are classified based on their tissue of origin and may share common features or pathways, the tumor microenvironment is far from uniform. It comprises a dynamic network of cell populations with divergent genomic profiles, all of which collectively drive tumor progression—with some tumors more efficient and aggressive than others. The heterogeneity within these tumors makes it notoriously harder to treat, as standard therapies fail to address the …

Distances Between Spins, Gareth R. Eaton

TeachEPR Submissions

• Distance measurement by measuring T₁ and T_2.
• Relation to DEER and CW simulation and half-field intensity.
• Dipolar and exchange interactions.
• The dynamic NMR spectral collapse picture.

Workshop On Quantitative Epr, Dave Barr, Sandra S. Eaton, Gareth R. Eaton, Ralph T. Weber, Patrick Carl, Peter Höfer, Richard W. Quine, George A. Rinard, Colin Mailer

TeachEPR Submissions

Presentations on quantitative EPR at the workshop that preceded the writing of our text, Quantitative EPR.

Presented at the 31^st Annual EPR Symposium in Breckenridge, Colorado on July 27, 2008.

Impacts Of Changing Temperatures On The Water Budget In The Great Salt Lake Basin, Grace Affram, Jihad Othman, Reza Morovati, Saddy Pineda Castellanos, Sajad Khoshnoodmotlagh, Diana Dunn, Braedon Dority, Katherine Osorio Diaz, Cody Ratterman, Wei Zhang

Plants, Soils and Climate Student Research

Quantifying the water budget in the Great Salt Lake (GSL) basin is a nontrivial task, especially under a changing climate that contributes to increasing temperatures and a shift towards more rainfall and less snowfall. This study examines the potential impacts of temperature thresholds on the water budget in the GSL, emphasizing the influence on snowmelt, evapotranspiration (ET), and runoff under varying climate warming scenarios. Current hydrological models such as the Variable Infiltration Capacity (VIC) model use a universal temperature threshold to partition snowfall and rainfall across different regions. Previous studies have argued that there is a wide range of thresholds …

Magnetus: A Magnetized Plasma Research Ecosystem, N. C. Hurst, M. Abler, Michael R. Brown, J. Juno, E. G. Kostadinova, N. A. Murphy, J. Olson, D. M. Orlov, D. B. Schaeffer, D. A. Schaffner, E. E. Scime, T. M. Tenbarge, S. C. Thakur

Physics & Astronomy Faculty Works

MagNetUS is a network of scientists and research groups that coordinates and advocates for fundamental magnetized plasma research in the USA. Its primary goal is to bring together a broad community of researchers and the experimental and numerical tools they use in order to facilitate the sharing of ideas, resources and common tasks. Discussed here are the motivation and goals for this network and details of its formation, history and structure. An overview of associated experimental facilities and numerical projects is provided, along with examples of scientific topics investigated therein. Finally, a vision for the future of the organization is …

Operationalizing And Measuring Climate Change Adaptation Success, Henry A. Bartelet, Michele L. Barnes, Lalu A.A. Bakti, Graeme S. Cumming

Quantitative Methods and Information Technology Faculty Publications

In a context of rapid global change, understanding whether and how adaptation to climate change can be considered successful has become an important research gap within the climate change adaptation literature. Although definitions of adaptation success have been formulated, it remains unclear how they can be operationalized and tested empirically. To address this gap, we operationalized one of the most prominent definitions of successful adaptation within the academic literature, which describes success as adaptations that support reductions in risk and vulnerability without compromising sustainability. Specifically, drawing on data collected from 209 coral reef tourism operators across 28 locations and eight …

Environmental Monitoring Report: For Work To Be Performed: July 1, 2023 Through June 30, 2024, Tennessee. Department Of Environment And Conservation

Environmental Monitoring Reports

This FY2024 EMR presents results for independent projects, originally defined in TDEC’s FY2024 Environmental Monitoring Plan (EMP) and subsequently completed over the course of FY2024 period of performance.

Consequences Of Oxidative Dna Damage: Base-Pair Dissociation, Singlet Oxygenation And Dna-Protein Crosslinking, May Myat Moe

Dissertations, Theses, and Capstone Projects

8-Oxo-2′-deoxyguanosine (OG) is a common DNA lesion resulting from oxidatively generated damage and pairs with complementary cytidine (C) in Watson Crick base-pairing within duplex DNA. The WC-OG·C lesion, if not recognized or repaired, not only leads to G⋅C→T⋅A transversion mutations (through Hoogsteen (HG) base pairing of OG⋅A), but also renders the base pair being more vlunerable to ionizing radiation and singlet oxygen (1O2) damage. Leveraging on our previous accomplishments on the study of gas-phase reactions of 1O2 with 2′-deoxyguanosine radical cations, my research thesis expanded to the investigation of reaction dynamics of 9-methyl-8-oxoguanine (9MOG) radical cations. The experiments of following …

The Role Of Secondary And Tertiary Structure In The Cap-Independent Translation Of Fgf-9 And Hif-1-Alpha, Amanda Michelle Whittaker

Dissertations, Theses, and Capstone Projects

Under normoxic conditions, eukaryotes initiate translation of RNA through eIF4E recognition of the 5’ cap. However, under cellular stress, eukaryotic translation must be initiated through a 4E-independent, or “cap-independent” mechanism, involving eukaryotic initiation factor 4G (eIF4G) binding directly to the 5’ untranslated regions (5’ UTR) of the RNA. eIF4G binding then recruits the ribosome to the transcript. While this mechanism is useful for translation of apoptotic transcripts and transcripts involved in cell survival, cap-independent translation is also utilized by oncogenic RNA for tumorigenesis. Previous work by our lab and others has categorized this recruitment and initiation mechanism as either internal-ribosome-entry-site …

Studies On The Synthesis, Function, And Properties Of Troponoids, John-Charles A. Baucom

Dissertations, Theses, and Capstone Projects

Troponoids are a unique class of non-benzenoid aromatic compounds with a wide range of demonstrated applications in pharmaceuticals and molecular sensing. The cycloheptatrienone scaffold possesses a noteworthy degree of tunability as a function of ring oxygenation. This manuscript describes our efforts toward a better understanding of the physical consequences of the scaffold to better utilize the motif. Chapter the first discusses our efforts at elucidating the mechanism of troponoid inhibition of the Hepatitis B virus reverse transcriptase RNAse H enzymatic domain. Using homology modeling in conjunction with traditional in vitro assays we were able to establish the likely mechanism of …

Tracing The Sources Of Nitrogen In Submarine Groundwater Discharge And Primary Producers In The Great South Bay Estuary, Nia H. Rene

Dissertations, Theses, and Capstone Projects

The primary aim of this research was to elucidate the impact of submarine groundwater discharge (SGD) and septic effluent on coastal primary producers in the Great South Bay (GSB). The study focused on three main objectives: assessing the impact of precipitation patterns on SGD, tracing nitrogen sources into the GSB, and determining the impact of these nitrogen sources on coastal primary producers. The research revealed that current precipitation patterns significantly influence SGD across different seasons, highlighting the seasonal variability in groundwater discharge and its implications for nutrient loading in coastal waters. A suite of tracers was employed to identify and …

Taming Biological Complexity Through The Use Of Symmetries, Luis A. Álvarez-García

Dissertations, Theses, and Capstone Projects

The study of biological systems is, inherently, the study of very complex systems. This is essentially due to the fact that they are made up of numerous, often very complicated, interactions between an extensive number of components. Often necessitating an abundance of quantitative parameters and details for a precise description. The human brain for ex- ample, consisting of ∼ 80 billion neurons with ∼ 800 to 100 trillion connections between them, each of them depending on a large set of parameters. Even simpler examples such as bacterial organisms, such as E. coli and B. subtilis, which we focus on …

Development Of Soil Survey Methods For Urban Areas, Kohinoor Begum

Dissertations, Theses, and Capstone Projects

Urban soils are the foundation of urban ecosystems and play a vital role in long-term urban sustainability and resiliency. Accurate soil surveys of urban areas should be done at higher resolution since extensive human activities often result in urban soil being highly disturbed and spatially variable. Besides heterogeneity, one of the unique and challenging aspects of urban soil is the nature and properties of its organic carbon with a significant percentage of black carbon (a particulate product of incomplete combustion), which is less biologically active. Thus, in order to determine the ability of a soil to support biological activity and …