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Real-Time Barge Detection Using Traffic Cameras And Deep Learning On Inland Waterways, Geoffery Eyram Agorku Aug 2024

Real-Time Barge Detection Using Traffic Cameras And Deep Learning On Inland Waterways, Geoffery Eyram Agorku

Graduate Theses and Dissertations

Inland waterways are critical for freight movement, but limited means exist for monitoring their performance and usage by freight-carrying vessels, e.g., barges. While methods to track vessels, e.g., tug and tow boats, are publicly available through Automatic Identification Systems (AIS), ways to track freight tonnages and commodity flows carried on barges along these critical marine highways are non-existent, especially in real-time settings. This paper develops a method to detect barge traffic on inland waterways using existing traffic cameras with opportune viewing angles. Deep learning models, specifically, You Only Look Once (YOLO), Single Shot MultiBox Detector (SSD), and EfficientDet are employed. …


Advancing Prediction And Decision Analytics Techniques To Improve Treatment Of Tuberculosis, Maryam Kheirandish Borujeni Aug 2024

Advancing Prediction And Decision Analytics Techniques To Improve Treatment Of Tuberculosis, Maryam Kheirandish Borujeni

Graduate Theses and Dissertations

Tuberculosis (TB) remains a global health challenge, significantly impacting morbidity and mortality rates worldwide. Despite advancements in diagnosis and treatment, TB continues to pose substantial challenges, particularly in low-resource settings. This dissertation aims to develop a robust treatment monitoring framework for TB patients to ensure personalized and effective treatment using demographic and clinical information. The current standard TB treatment framework, recommended by the World Health Organization (WHO), involves monitoring patients through laboratory tests such as smear and culture sputum tests at specific time points during treatment. These tests, however, are not fast and accurate enough to determine the severity of …


Evaluating Margin Protection (Mp) Crop Insurance As A Risk Management Tool For Rice Producers In Arkansas, Kaleem Azmat Chattha Aug 2024

Evaluating Margin Protection (Mp) Crop Insurance As A Risk Management Tool For Rice Producers In Arkansas, Kaleem Azmat Chattha

Graduate Theses and Dissertations

Agricultural producers bear many risks, including production risks stemming from uncertainty in weather and pest pressure and price risks arising from market volatility. Federal Crop Insurance has become one of the most popular tools to manage these risks. While yield and revenue crop insurance tend to be the most popular production and price risk management tools provided by the government, participation in Margin Protection insurance lags far behind despite providing production, crop price, and input price risk protection. This study aims to uncover whether Margin Protection crop insurance is an effective risk management tool by estimating the optimal coverage level …


Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon Aug 2024

Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon

Chemical Engineering Faculty Publications and Presentations

In this study, we investigate the influence of cold-plasma-induced enhanced performance and efficiency of SAPO-34 membranes in the separation of CO2 and CH4 mixtures. Placing the herein presented research in a broader context, we aim to address the question of whether cold plasma can significantly impact the membrane performance. We subjected SAPO-34 membranes to plasma mild disturbances and analyzed their performance in separating CO2 and CH4. Our findings reveal a notable enhancement in membrane efficiency and sustained performance when exposed to cold plasma. The pulsed plasma separation displayed improved structural integrity, and the experimental results …


Understanding And Tuning Magnetism In Van Der Waals-Type Metal Thiophosphates, Rabindra Basnet, Jin Hu Aug 2024

Understanding And Tuning Magnetism In Van Der Waals-Type Metal Thiophosphates, Rabindra Basnet, Jin Hu

Physics Faculty Publications and Presentations

Over the past two decades, significant progress in two-dimensional (2D) materials has invigorated research in condensed matter and material physics in low dimensions. While traditionally studied in three-dimensional systems, magnetism has now been extended to the 2D realm. Recent breakthroughs in 2D magnetism have attracted substantial interest from the scientific community, owing to the stable magnetic order achievable in atomically thin layers of the van der Waals (vdW)-type layered magnetic materials. These advances offer an exciting platform for investigating related phenomena in low dimensions and hold promise for spintronic applications. Consequently, vdW magnetic materials with tunable magnetism have attracted significant …


Proton-Coupled Electron Transfer To Drive Biomass Conversion, Cody Canote Aug 2024

Proton-Coupled Electron Transfer To Drive Biomass Conversion, Cody Canote

Graduate Theses and Dissertations

Meeting rising demands for commodity chemicals while simultaneously easing reliance on fossil fuels presents one of the most substantial challenges for chemistry to date. Biomass has emerged as a sustainable precursor to commodity chemicals but requires substantial deoxygenation to displace petrochemicals. Development of efficient catalysts to achieve these transformations remains one of the central goals of inorganic and organometallic chemistry. Electrochemical strategies to propel biomass conversion are attractive, providing the driving force for reactivity and insights into catalyst mechanism. This work focuses on proton-coupled electron transfer (PCET) to facilitate redox catalysis in biomass up conversion and homolytic bond cleavage in …


Modeling, Optimization, And Characterization For Choke Horn Antennas, Ibrahim Nasser I Alquaydheb Aug 2024

Modeling, Optimization, And Characterization For Choke Horn Antennas, Ibrahim Nasser I Alquaydheb

Graduate Theses and Dissertations

This dissertation presents a comprehensive study focusing on the modeling, optimization, and characterization of choke horn antennas (CHAs). An analytical model designed to capture the parameters of CHA and derive the total radiated fields from the choke and waveguide elements is primarily focused on in this work. Compared to the use of simulation software, such as ANSYS HFSS (High Frequency Structure Simulator) or CST Studio, which employs numerical methods to simulate and calculate antenna performance, numerous advantages are offered by the analytical model. Analytical models provide deeper insight into electromagnetic interactions and the principles governing antenna behavior, leading to a …


Rock Wall Fracturing As A Potential Control On River Valley Width In The Buffalo National River, Arkansas, Kindle Hon Aug 2024

Rock Wall Fracturing As A Potential Control On River Valley Width In The Buffalo National River, Arkansas, Kindle Hon

Graduate Theses and Dissertations

Quantifying bedrock properties that control the persistence of fallen rock material (talus) along bedrock walls bounding river valleys may be a key factor in understanding what controls the rate at which these river valleys widen. My work is a component of a collaborative research project focused on the overarching hypothesis that the persistence vs. erodibility of talus that buffers river valley walls can be a first-order control on valley widening rates. I hypothesize that the primary control for creating erodible or persistent talus is the fracture spacing of bedrock valley walls as it sets the maximum block size of collapsed …


Effects Of Measurement Error In Student Pre-Post Test Score On The Recovery Of The Estimates Of Teachers Value-Added Scores, Merlin J. Kamgue Aug 2024

Effects Of Measurement Error In Student Pre-Post Test Score On The Recovery Of The Estimates Of Teachers Value-Added Scores, Merlin J. Kamgue

Graduate Theses and Dissertations

Abstract Background: Value-added models (VAMs) are statistical tools used to gauge a teacher’s impact on student performance by analyzing standardized test scores. These models project students’ future performance based on past scores and compare the projection to actual outcomes, accounting for differences in student backgrounds. However, the standard error of measurement (SEM) inherent in all measurement tools is often overlooked in VAMs. Aims and Objectives: This study aims to investigate the impact of test reliability on teacher and school score estimates within a Bayesian framework. We will precisely manipulate the reliability of standardized tests by adjusting the standard error of …


Environments And Controls Of Erosional Bedforms In Soluble Channels, Ethan W. Oleson Aug 2024

Environments And Controls Of Erosional Bedforms In Soluble Channels, Ethan W. Oleson

Graduate Theses and Dissertations

Erosional bedforms, such as scallops, preserve valuable information on the paleohydrologic conditions forming soluble channels in karst systems. While these bedforms are commonly used to interpret past conditions, questions about their formation remain. Mathematical models of speleogenesis in turbulent flow predict that the conditions for forming scallops do not occur in natural carbonate systems. However, scallops are readily found in caves throughout the world. This conundrum has several possible resolutions, but each lacks field-based observations. We present a field-based study of the environments and controls of scallops in gypsum, limestone, and dolostone caves. Our results are based on field observation, …


Investigation Of Optically Pumped Gesn Quantum Well Lasers, Grey Steven Abernathy Aug 2024

Investigation Of Optically Pumped Gesn Quantum Well Lasers, Grey Steven Abernathy

Graduate Theses and Dissertations

Silicon photonic integrated circuits enable the capability of producing on-chip processing of photonic signals, including both emission and detection. Emission materials, however, have been limited for monolithic integration due to high processing temperatures, indirect bandgap materials, and material integration complications. The (Si)GeSn material system has recently attracted attention due to the bandgap transition from the Si and Ge, naturally indirect bandgap, to direct bandgap with sufficient Sn incorporation. Additionally, the low growth temperature (CMOS compatible; <400 >°C) of (Si)GeSn materials can enable the monolithic integration of the highly desired mid-infrared light emission on the Si Photonic platform. This dissertation first discusses …


Quantifying Physical Function: Moving Towards A New Definition And Better Assessment, Anthony Campitelli Aug 2024

Quantifying Physical Function: Moving Towards A New Definition And Better Assessment, Anthony Campitelli

Graduate Theses and Dissertations

Though poor physical function (PF) and disability are two of the most impactful problems facing older adults today, the field of kinesiology has not yet devised a method of measuring PF, thus limiting investigations with the potential to lead to improved PF interventions and assessments. This dissertation aimed to develop a single, continuous measure of PF using a latent variable modeling approach, and then use the generated scores to evaluate the role of lower body muscular power in PF assessment and to construct an improved PF assessment battery for predicting overall PF. Each aim of this dissertation was addressed through …


Understanding And Control Of Frustration And Topological Defects In Ferroic Matter, Suyash Rijal Aug 2024

Understanding And Control Of Frustration And Topological Defects In Ferroic Matter, Suyash Rijal

Graduate Theses and Dissertations

Ferroic matter are of great importance as they provide a platform to extend the understanding of many-body physics and also for their amazing functional properties relevant for technological advancements. The work in this dissertation is dedicated to two of such ferroic materials.

First is CrGeTe3 (CGT), a two dimensional (2D) magnet discovered in 2017. The discovery of two-dimensional magnetism has invigorated the research community as their low dimensionality offers a unique avenue to understand and investigate the origin of magnetism in these atomically thin systems and harvest diverse application such as information processing, storage and transfer using their magnetic …


A Nustar Census Of The X-Ray Binary Population Of The M31 Disk, Hannah Moon, Daniel Wik, V. Antoniou, M. Eracleous, Ann Hornschemeier, Margaret Lazzarini, Bret D. Lehmer, Neven Vulic, Benjamin F. Williams, T. J. Maccarone, K. Pottschmidt, Andrew Ptak, Mihoko Yukita, Andreas Zezas Aug 2024

A Nustar Census Of The X-Ray Binary Population Of The M31 Disk, Hannah Moon, Daniel Wik, V. Antoniou, M. Eracleous, Ann Hornschemeier, Margaret Lazzarini, Bret D. Lehmer, Neven Vulic, Benjamin F. Williams, T. J. Maccarone, K. Pottschmidt, Andrew Ptak, Mihoko Yukita, Andreas Zezas

Physics Faculty Publications and Presentations

Using hard (E > 10 keV) X-ray observations with NuSTAR, we are able to differentiate between the accretion states, and thus compact object types, of neutron stars (NSs) and black holes (BHs) in X-ray binaries (XRBs) in M31, our nearest Milky Way–type neighbor. Using 10 moderate-depth (20–50 ks) observations of the disk of M31 covering a total of ∼0.45 deg2, we detect 20 sources at 2σ in the 4–25 keV bandpass, 14 of which we consider to be XRB candidates. This complements an existing, deeper (100–400 ks) survey covering ∼0.2 deg2 of the bulge and the …


Lca Operational Carbon Reduction Based On Energy Strategies Analysis In A Mass Timber Building, Moein Hemmati, Tahar Messadi, Hongmei Gu, Mahboobeh Hemmati Aug 2024

Lca Operational Carbon Reduction Based On Energy Strategies Analysis In A Mass Timber Building, Moein Hemmati, Tahar Messadi, Hongmei Gu, Mahboobeh Hemmati

Architecture Faculty Publications and Presentations

Buildings play a significant role in the rise of energy consumption and carbon emissions. Building operations are responsible for 28% of the world’s carbon emissions. It is crucial, therefore, to evaluate the environmental impact of various buildings’ operational phase in order to implement sustainable strategies for the mitigation of their energy usage and associated carbon footprint. While numerous studies have been conducted to determine the carbon footprint of conventional building operation phases, there are still a lack of actual data on the operational carbon (OC) emissions of mass timber buildings. There is also a lack of research pertaining to the …


To Each Their Own: The Relationship Among Regret, Habits, And Academic Performance In College Students, Chandler Ann Findley Aug 2024

To Each Their Own: The Relationship Among Regret, Habits, And Academic Performance In College Students, Chandler Ann Findley

Graduate Theses and Dissertations

The extant literature on regret as motivation for behavior presents inconclusive results, collectively. While it has often been agreed that regret motivates reparative action, most studies from the past 14 years indicate that regret may motivate either detrimental actions or, more commonly, no action at all. There also appears to be no published research about college students’ academic regrets or how these regrets affect their classroom behaviors and performance. Therefore, this dissertation seeks to understand if college students regret their academic habits, what those habits are, and how their regrets and habits contribute to their academic performance over the course …


Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du Aug 2024

Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du

Electrical Engineering and Computer Science Faculty Publications and Presentations

Sapphire has various applications in photonics due to its broadband transparency, high-contrast index, and chemical and physical stability. Photonics integration on the sapphire platform has been proposed, along with potentially high-performance lasers made of group III–V materials. In parallel with developing active devices for photonics integration applications, in this work, silicon nitride optical waveguides on a sapphire substrate were analyzed using the commercial software Comsol Multiphysics in a spectral window of 800~2400 nm, covering the operating wavelengths of III–V lasers, which could be monolithically or hybridly integrated on the same substrate. A high confinement factor of ~90% near the single-mode …


Sustainability Measures Of The Apparel Industry: A Longitudinal Analysis Of Apparel Corporations’ Sustainability Efforts, Lance Cheramie, Mahendran Balasubramanian Aug 2024

Sustainability Measures Of The Apparel Industry: A Longitudinal Analysis Of Apparel Corporations’ Sustainability Efforts, Lance Cheramie, Mahendran Balasubramanian

Apparel Merchandising and Product Development Faculty Publications and Presentations

Climate change is a paramount challenge of our era, with profound implications for various sectors, including the apparel industry, known for its extensive environmental footprint throughout the entire clothing lifecycle. This study assesses the industry’s carbon emission trends using six years of data (2017–2022) focusing on Scope 1 and Scope 2. Employing a one-way repeated measures ANOVA, this study evaluates the impact of sustainability strategies on emissions. The results indicate a notable decrease in Scope 2 and overall carbon emissions, while Scope 1 emissions remain relatively unchanged despite a downward trend. These findings underscore the success of current sustainability measures …


A Grain Of Hope: Analysis Of The Economic Potential For An Association Of South East Asian Nations (Asean) Rice Futures Market, Richard Nyarko Aug 2024

A Grain Of Hope: Analysis Of The Economic Potential For An Association Of South East Asian Nations (Asean) Rice Futures Market, Richard Nyarko

Graduate Theses and Dissertations

The ASEAN (Association of Southeast Nations) region is the world's leading rice producer, yet the region lacks a dedicated rice futures market. In contrast other world grain markets are served by liquid futures contracts, which aid producers through price discovery and risk management. This glaring gap raises a critical question: Can an ASEAN rice futures market be established to unlock the potential economic benefits for the region's rice sector? By predicting ASEAN rice pricing features and analyzing the efficacy of hedging for regional rice market players, this study explores the viability of an ASEAN rice futures contract to service the …


Sparse Neural Network To Enhance Performance Under Limited Parameter Constraints., Nailah Rawnaq Aug 2024

Sparse Neural Network To Enhance Performance Under Limited Parameter Constraints., Nailah Rawnaq

Graduate Theses and Dissertations

Over the past decade, the widespread adoption of deep neural networks has been a breakthrough driven by significant computational advancements. Additionally, the number of parameters of those models is exponentially increasing for performing complex tasks and achieving better performance. However, in most practical cases, often there are constraints in the number of parameters due to limited resources in storage size and computational cost. Network pruning can lead to an optimal solution to this problem. In this thesis, I present supporting evidence to the hypothesis that higher sparsity leads to better performance for a convolution-based neural network. I perform performance studies …


The Effects Of Grading Equity Practices On Students: Do Student Perceptions Of And Teachers’ Exposure To Grading Equity Practices Matter?, Sarah Ruth Morris Aug 2024

The Effects Of Grading Equity Practices On Students: Do Student Perceptions Of And Teachers’ Exposure To Grading Equity Practices Matter?, Sarah Ruth Morris

Graduate Theses and Dissertations

This dissertation critically examines grading practices within schools, tracing the evolution from traditional to modern approaches and highlighting the social dimensions and debates surrounding grading. Through a mixed-methods study spanning three empirical chapters, it explores students' and teachers' perceptions of grading practices, the impact of professional development (PD) on teachers' approaches to grading equity, and the resultant effects on student outcomes. Chapter Two reveals students' preferences for practices that recognize effort and support academic growth, alongside a tension between Pre-AP students' resistance and the support from students under high stress. Chapter Three finds that while PD can shift teachers' views …


Current Trends In Bee Conservation And Habitat Restoration In Different Types Of Anthropogenic Habitats, Olivia Kline, Neelendra K. Joshi Aug 2024

Current Trends In Bee Conservation And Habitat Restoration In Different Types Of Anthropogenic Habitats, Olivia Kline, Neelendra K. Joshi

Entomology and Plant Pathology Faculty Publications and Presentations

Recent declines in bee populations and ranges have been cause for concern due to the valuable pollination service that they provide. Several factors have been proposed to contribute to these declines, including habitat loss, pathogen spread, and pesticide usage, so many pollinator conservation schemes have involved the addition of pollinator-friendly habitat through wildflower plantings and artificial nesting sites. Because of this, many efforts have been made to enhance bee populations across different landscape types, including natural, agricultural, urban, and industrial areas. Many of these schemes have focused on providing habitat for bees and other animal pollinators in agricultural landscapes, but …


Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley Aug 2024

Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley

Mechanical Engineering Faculty Publications and Presentations

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure PH2 on the hydrogen-assisted fatigue crack growth rate (HA-FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The "transient regime" is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The "steady-state" behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and PH2 as being functionally separable. In the transient …


Gan With Skip Patch Discriminator For Biological Electron Microscopy Image Generation, Nishith Ranjon Roy Aug 2024

Gan With Skip Patch Discriminator For Biological Electron Microscopy Image Generation, Nishith Ranjon Roy

Graduate Theses and Dissertations

GAN models have been successfully used for image generation in various sections such as real-life objects like human faces, cars, animal faces, landscapes, etc. This work focuses on biological electron microscopy (EM) image generation. Unlike other real-life objects, biological EM images are obtained through electron microscopy techniques to study biological specimens. Electron microscopy offers high resolution and magnification capabilities, making it a powerful tool for visualizing biological structures at the nanoscale. However, using GAN models for biological EM image generation poses challenges due to the complex and unique arrangements of biological structures and the sparse and asymmetrical patterns in EM …


Feasibility Assessment And Container Traffic Forecasting Of Inland Waterway Container On Barge Transportation, Fan Bu Aug 2024

Feasibility Assessment And Container Traffic Forecasting Of Inland Waterway Container On Barge Transportation, Fan Bu

Graduate Theses and Dissertations

Container on Barge (COB) transportation is an intermodal freight transport mode that moves shipping containers via barges on navigable inland and intracoastal waterways. During the past twenty years, COB has been a growing mode of container shipping globally due to its low-cost, eco-friendly, and congestion-reducing characteristics. Europe and China are currently leading global COB transportation, and the United States (U.S.) may have the potential to achieve economic benefits through the implementation of COB within its intermodal transportation system. To explore this potential, this dissertation investigates the implementation feasibility of COB transportation within the U.S. intermodal freight transportation system. Three contributions …


A Grounded Theory Study Of White Educators' Conceptualizations And Negotiations Of Culturally Centered Practices In Colleges Of Agriculture And Related Sciences, Isabel M. Whitehead-Adams Aug 2024

A Grounded Theory Study Of White Educators' Conceptualizations And Negotiations Of Culturally Centered Practices In Colleges Of Agriculture And Related Sciences, Isabel M. Whitehead-Adams

Graduate Theses and Dissertations

The racial and ethnic demographics of higher education are becoming increasingly diverse; however, faculty demographics remain predominantly White. With agriculture being one of the largest economic sectors, often with many roles to fill, recruiting and retaining racially and ethnically diverse students into agricultural and related science post-secondary programs, hereby referred to as agricultural programs, is crucial to drawing talent into the agricultural workforce. However, racial and ethnic demographics among students in post-secondary agricultural programs also remain predominantly White. Established pedagogical approaches for supporting culturally diverse have been established, such as Culturally Responsive Teaching. There is little to no research exploring …


Exploring Telehealth Utilization Through Data Analytics, Statistical Analyses, And Machine Learning Techniques, Aysenur Betul Cengil Aug 2024

Exploring Telehealth Utilization Through Data Analytics, Statistical Analyses, And Machine Learning Techniques, Aysenur Betul Cengil

Graduate Theses and Dissertations

This dissertation investigates the utilization of telehealth services, initially focusing on the Arkansas healthcare system and then extending the analysis nationwide. It aims to understand the factors influencing telehealth adoption and its impact on healthcare delivery. After examining telehealth utilization in Arkansas from 2018 to 2022, the research utilizes a comprehensive dataset from Epic Cosmos, which includes a wide range of patient and visit data from multiple healthcare facilities across the United States from 2018 to 2023. This timeframe allows for a detailed analysis of telehealth trends before, during, and after the COVID-19 pandemic. In Chapter 2, we analyze key …


Computational Models That Exploit Spatial, Temporal, And Voltage-Current Relationships In The Electrochemical Generation-Collection Of Redox-Active Molecules, Miguel Angel Abrego Tello Aug 2024

Computational Models That Exploit Spatial, Temporal, And Voltage-Current Relationships In The Electrochemical Generation-Collection Of Redox-Active Molecules, Miguel Angel Abrego Tello

Graduate Theses and Dissertations

The numerical studies in this dissertation explore the application of redox cycling, an advanced electrochemical technique, for analyzing bioelectrochemical systems with a particular focus on small-volume samples and involves electrodes that can be activated to oxidize and reduce, separated by varying distances and featuring different geometries. The redox cycling approach facilitates the spatio-temporal interrogation of kinetics, mass transport, and the quantification and identification of chemical systems. We optimize a previously fabricated neural probe design on an SU-8 substrate, featuring coplanar arrays of nine microband electrodes suited for in vivo applications. Through comprehensive in situ and in silico redox cycling studies …


Differential Behavior Of Conformational Dynamics In Active And Inactive States Of Cannabinoid Receptor 1, Ugochi H. Isu, Adithya Polasa, Mahmoud Moradi Aug 2024

Differential Behavior Of Conformational Dynamics In Active And Inactive States Of Cannabinoid Receptor 1, Ugochi H. Isu, Adithya Polasa, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

Cannabinoid receptor 1 (CB1) is a G protein-coupled receptor that regulates critical physiological processes including pain, appetite, and cognition. Understanding the conformational dynamics of CB1 associated with transitions between inactive and active signaling states is imperative for developing targeted modulators. Using microsecond-level all-atom molecular dynamics simulations, we identified marked differences in the conformational ensembles of inactive and active CB1 in apo. The inactive state exhibited substantially increased structural heterogeneity and plasticity compared to the more rigidified active state in the absence of stabilizing ligands. Transmembrane helices TM3 and TM7 were identified as distinguishing factors modulating the state-dependent dynamics. TM7 …


Engineering Central Substitutions In Heptamethine Dyes For Improved Fluorophore Performance, Lei Guo, Meek Yang, Bin Dong, Seth Lewman, Alex Van Horn, Shang Jia Aug 2024

Engineering Central Substitutions In Heptamethine Dyes For Improved Fluorophore Performance, Lei Guo, Meek Yang, Bin Dong, Seth Lewman, Alex Van Horn, Shang Jia

Chemistry & Biochemistry Faculty Publications and Presentations

As a major family of red-shifted fluorophores that operate beyond visible light, polymethine dyes are pivotal in light-based biological techniques. However, methods for tuning this kind of fluorophores by structural modification remain restricted to bottom-up synthesis and modification using coupling or nucleophilic substitutions. In this study, we introduce a two-step, late-stage functionalization process for heptamethine dyes. This process enables the substitution of the central chlorine atom in the commonly used 4′-chloro heptamethine scaffold with various aryl groups using aryllithium reagents. This method borrows the building block and designs from the xanthene dye community and offers a mild and convenient way …