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Articles 541 - 570 of 7361
Full-Text Articles in Physical Sciences and Mathematics
Amorphous Quininium Aspirinate From Neat Mechanochemistry: Diffracting Nanocrystalline Domains And Quick Recrystallization Upon Exposure To Solvent Vapours, Silvina Pagola, James Howard, Johannes Merkelbach, Danny Stam
Amorphous Quininium Aspirinate From Neat Mechanochemistry: Diffracting Nanocrystalline Domains And Quick Recrystallization Upon Exposure To Solvent Vapours, Silvina Pagola, James Howard, Johannes Merkelbach, Danny Stam
Chemistry & Biochemistry Faculty Publications
Quininium aspirinate is mechanochemically prepared as a crystalline solid by liquid-assisted grinding, or as an amorphous phase (as determined by X-ray powder diffraction), by neat grinding or neat ball milling. Our previous work demonstrated using FT-IR spectroscopy that a mechanochemical reaction had occurred in the mechanically treated neat mixtures. Herein is reported that microcrystal electron diffraction (microED) afforded the discovery of two diffracting micron-size particles in the amorphous powder synthesized by manual grinding, among a majority of non-diffracting particles. Remarkably, microED data of one of them led to the known lattice parameters of quininium aspirinate. Furthermore, this so-called 'X-ray amorphous' …
Calculation Of Proton Transmembrane-Electrostatic Interaction Force And Elucidation Of The Water Droplet Experiment With A Transient Protonic Front, James Weifu Lee
Calculation Of Proton Transmembrane-Electrostatic Interaction Force And Elucidation Of The Water Droplet Experiment With A Transient Protonic Front, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
The “transmembrane-electrostatically localized proton(s)/cation(s) charge(s) (TELC(s), also known as TELP(s)) model” may serve as a theoretical framework to explain protonic cell energetics including both delocalized and localized protonic couplings. TELCs are held by their corresponding transmembrane-electrostatically localized hydroxides anions (TELAs) across the membrane through mutual transmembrane-electrostatic attractive force, which is now calculated to be in the range from 1.96 × 10⁻¹¹ to 2.28 × 10⁻¹¹ newtons (N) across a 2.5 nm thick membrane in a range of transmembrane potential from 10 to 200 mV. At a moderate transmembrane potential (100 mV), the protonic transmembrane attractive force is now calculated to …
A Comparison Of Microcrystal Electron Diffraction And X-Ray Powder Diffraction For The Structural Analysis Of Metal-Organic Frameworks, Erik Biehler, Silvana Pagola, Daniel Stam, Johannes Merkelbach, Christian Jandl, Tarek M. Abdel-Fattah
A Comparison Of Microcrystal Electron Diffraction And X-Ray Powder Diffraction For The Structural Analysis Of Metal-Organic Frameworks, Erik Biehler, Silvana Pagola, Daniel Stam, Johannes Merkelbach, Christian Jandl, Tarek M. Abdel-Fattah
Chemistry & Biochemistry Faculty Publications
This study successfully implemented microcrystal electron diffraction (microED) and X-ray powder diffraction (XRPD) for the crystal structure determination of a new phase, TAF-CNU-1, Ni(C₈H₄O₄)·3H₂O, solved by microED from single microcrystals in the powder and refined at the kinematic and dynamic electron diffraction theory levels. This nickel metal–organic framework (MOF), together with its cobalt and manganese analogues with formula M (C₈H₄O₄)·2H₂O with M = Mn II or CoII, were synthesized in aqueous media as one-pot preparations from the corresponding hydrated metal chlorides and sodium terephthalate, as a promising `green' synthetic route to moisture-stable MOFs. The crystal structures of the …
Extended Inter-Laboratory Characterization Of The New Coastal Seawater Dissolved Organic Matter Reference Material Trm-0522, Alexander J. Craig, Lydia Babcock-Adams, Maxime C. Bridoux, Charlotte Brun, Juliana D'Andrilli, Aleksandar I. Goranov, Patrick G. Hatcher, Oliver Lechtenfeld, Hang Li, Rebecca Matos, Garrett Mckay, Amy M. Mckenna, Madelyn Miller, Sasha Wagner, Margot E. White, Alexander Zherebker, Jeffrey A. Hawkes
Extended Inter-Laboratory Characterization Of The New Coastal Seawater Dissolved Organic Matter Reference Material Trm-0522, Alexander J. Craig, Lydia Babcock-Adams, Maxime C. Bridoux, Charlotte Brun, Juliana D'Andrilli, Aleksandar I. Goranov, Patrick G. Hatcher, Oliver Lechtenfeld, Hang Li, Rebecca Matos, Garrett Mckay, Amy M. Mckenna, Madelyn Miller, Sasha Wagner, Margot E. White, Alexander Zherebker, Jeffrey A. Hawkes
Chemistry & Biochemistry Faculty Publications
Dissolved organic matter (DOM) reference materials are critical to ensuring reliable comparability of measurements across experiments and between labs. TRM-0522, isolated in 2022 from 45 m deep seawater off of Sweden’s west coast, fills the niche of a previously unavailable coastal marine DOM reference material. After its isolation, we detailed a limited number of metrics for TRM-0522, initially disclosing Orbitrap high-resolution mass spectrometry, nuclear magnetic resonance, carbon proportion, absorbance, and fluorescence data. With TRM-0522 becoming more widely used, a variety of labs have generated different metrics that help to characterize and define the chemical properties of this coastal reference material. …
Co₂ Isotopologues From The Ace Satellite, D. English, P. Bernath, C. Boone
Co₂ Isotopologues From The Ace Satellite, D. English, P. Bernath, C. Boone
Chemistry & Biochemistry Faculty Publications
Carbon dioxide isotopologues have been studied thoroughly in the troposphere. In the stratosphere, the minor oxygen CO₂ isotopologues have anomalous abundances due to their exchange reactions with isotopically fractionated ozone, differentiating them from tropospheric CO₂. Previously a model predicted that this anomalous isotopic abundance continues into the mesosphere but lacked verification from experimental observations. Here we use the Atmospheric Chemistry Experiment Fourier Transform Spectrometer which records infrared transmittance spectra of the Earth's limb from low Earth orbit using solar occultation. These infrared spectra provide measurements of global CO₂ isotopologue volume mixing ratios (VMRs) from the upper troposphere to the lower …
Analysis Of Aerosols In The Asian Monsoon Anticyclone As Observed By The Atmospheric Chemistry Experiment, M. Lecours, R. Dodangodage, C. D. Boone, P. F. Bernath
Analysis Of Aerosols In The Asian Monsoon Anticyclone As Observed By The Atmospheric Chemistry Experiment, M. Lecours, R. Dodangodage, C. D. Boone, P. F. Bernath
Chemistry & Biochemistry Faculty Publications
During the Asian summer monsoon season, pollutants from the lower troposphere are transported through deep convection to the upper troposphere and lower stratosphere. Surface pollutants such as CO are transported upward and trapped in the anticyclone during this unique atmospheric phenomenon. Associated with the anticyclone is a layer of enhanced aerosols located near the tropopause often referred to as the Asian tropopause aerosol layer (ATAL). The chemical and physical properties of aerosols in the ATAL are not yet fully understood as direct observations of the aerosols are limited. The Atmospheric Chemistry Experiment (ACE) is a satellite mission that provides high-resolution …
From Biophysics To Cellular Function: Neural Telcs-Membrane-Anions Capacitor Transmembrane Potential, James Weifu Lee
From Biophysics To Cellular Function: Neural Telcs-Membrane-Anions Capacitor Transmembrane Potential, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
Based on the transmembrane-electrostatically localized protons/cations charges (TELCs) theory, neural transmembrane potential including both resting and action potential is now well elucidated as the voltage contributed by the TELCs-membrane-anions capacitor biophysics in a neuron. Accordingly, neural transmembrane potential has an inverse relationship with TELCs surface density, which may represent a substantial progress in bettering the fundamental understanding of neuroscience. In this article, I will present a review on the latest development of the TELCs neural transmembrane potential theory and address Silverstein’s interesting arguments regarding the TELCs model that may constitute a complementary development to both the Hodgkin-Huxley classic cable theory …
Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender
Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender
Chemistry & Biochemistry Faculty Publications
Catalytic isomerization of alkenes has garnered interest for many years, but there are remaining challenges when it comes to thermodynamic selectivity and uncontrolled isomerization. Nonbiased substrates, be it sterically or thermodynamically, remain challenging for many catalysts, with a few examples available in the more modern literature. Herein, we present the controlled isomerization of linear alkenes with a cocatalytic mixture of commercially available catalyst and reagents: Grubbs I, tris(pentafluorophenyl)borane, and triethylsilane. DFT calculations indicate that an observed alkylidyne hydride intermediate is in rapid equilibrium with an alkylidene that binds the alkene substrate. This combination results in a pi-acidic metal and a …
Stack Bonding In Pentacene And Its Derivatives, Craig A. Bayse
Stack Bonding In Pentacene And Its Derivatives, Craig A. Bayse
Chemistry & Biochemistry Faculty Publications
Understanding the nature of π-stacking interactions is important to molecular recognition, self-assembly, and organic semiconductors. The stack bonding order (SBO) model of π-stacking has shown that the conformations of dimers occur when the combinations of monomer MOs are overall stack bonding in character. DFT calculations show that minima found on the potential energy surface for the π-stacked dimers of pentacene and perfluoropentacene occur when the dimer MOs are constructed from combinations of monomer MOs with an allowed SBO. An ex-amination of the MOs of π-stacked dimers extracted from X-ray structures of alkynyl derivatives like TIPS-pentacene pack at one or more …
Molecular Characterization Of Humic And Fulvic Acids On Watterlogged And Well-Drained Amazonian Podzols, Amanda M. Tadini, Aleksandar I. Goranov, Stéphane Mounier, Débora M.B.P. Milori, Célia R. Montes, Patrick G. Hatcher
Molecular Characterization Of Humic And Fulvic Acids On Watterlogged And Well-Drained Amazonian Podzols, Amanda M. Tadini, Aleksandar I. Goranov, Stéphane Mounier, Débora M.B.P. Milori, Célia R. Montes, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
The Amazon rainforest is the largest tropical rainforest in the world. Amazonian Podzol soils, characteristic of this region, are known to store substantial amounts of organic carbon in both their surface and deep horizons. Despite decades of research, the molecular-level composition of these soils remains uncharacterized. This study addresses this knowledge gap by employing ultrahigh resolution mass spectrometry, namely, Fourier transform–ion cyclotron resonance–mass spectrometry (FT-ICR-MS), to determine the molecular composition of humic acid (HA) and fulvic acid (FA) fractions from two Amazonian Podzol profiles of varying levels of groundwater exposure (waterlogged vs well-drained). In the waterlogged soil compounds containing nitrogen, …
Protonic Capacitor Cell Energetics: Transmembrane-Electrostatically Localized Protons/Cations, James Weifu Lee
Protonic Capacitor Cell Energetics: Transmembrane-Electrostatically Localized Protons/Cations, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
The transmembrane-electrostatically localized protons/cations charges (TELPs/TELCs) theory can serve as a theoretical framework to better explain cell electrophysiology and elucidate bioenergetic systems including both delocalized and localized protonic coupling. According to the TELCs model, the excess positive charges of TELCs at one side of the membrane are balanced by the excess negative charges of transmembrane-electrostatically localized hydroxides anions (TELAs) at the other side of the membrane. Through the TELCs-membrane-TELAs capacitor model, the energetics of oxidative phosphorylation have recently been better elucidated in mitochondria and alkalophilic bacteria, leading to the identification of a novel Type-B energetic process. Both the TELCs model …
Deciphering The Chemistry Of Condensed Aromatic "Black" Carbon And Nitrogen In Amazonian Anthrosols, João Vitor Dos Santos, Aleksandar I. Goranov, Laís G. Fregolente, Marcia C. Bisinoti, Zhenhuan Sun, Klaus Schmidt-Rohr, Patrick G. Hatcher
Deciphering The Chemistry Of Condensed Aromatic "Black" Carbon And Nitrogen In Amazonian Anthrosols, João Vitor Dos Santos, Aleksandar I. Goranov, Laís G. Fregolente, Marcia C. Bisinoti, Zhenhuan Sun, Klaus Schmidt-Rohr, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
Amazonian anthrosols are renowned for their high fertility and dark color, properties primarily attributed to the abundance of condensed aromatic carbon (ConAC) in the soil organic matter. ConAC, commonly referred to as black carbon, play a key role in the stability and nutrient retention of these soils. However, the processes governing the formation of ConAC and its transformation into oxygenated derivatives remain poorly understood. In this study, we used multiple analytical platforms to investigate the chemistry of ConAC-rich humic acids (HA) extracted from Terra Mulata de Indio, a type of Amazonian anthrosol. The results reveal that ConAC are predominantly …
Formation Of Pyramidal Palladium Enhanced By B(C₆F₅)₃ Additive Enabling Selective Alkene Monoisomerization, Paul D. Miller, Trandon A. Bender
Formation Of Pyramidal Palladium Enhanced By B(C₆F₅)₃ Additive Enabling Selective Alkene Monoisomerization, Paul D. Miller, Trandon A. Bender
Chemistry & Biochemistry Faculty Publications
The addition of a strong Lewis acid, tris(pentafluorophenyl)borane, facilitates the reduction of Pd(cod)Cl₂ with Et₃SiH to form palladium nanoparticles in organic solvents. It was found that these palladium nanoparticles are capable of selective monoisomerization of linear alkenes. This heterogeneous palladium catalyst is tolerant of a wide variety of functional groups, confirmed by substrate and robustness screenings. It is also possible to utilize poly(methylhydro)siloxane, an industrial waste byproduct, as the reductant to enable similar isomerization chemistry.
Experimental Demonstration And Study Of Transmembrane-Electrostatically Localized Protons Prevail, James Weifu Lee
Experimental Demonstration And Study Of Transmembrane-Electrostatically Localized Protons Prevail, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
In this review in relation to some interesting arguments from Silverstein, it is now reaffirmed that the experimental demonstration of transmembrane-electrostatically localized protons (TELPs) was successfully accomplished through 1) using an aluminum film as a TELPs sensor in a biomimetic anode water-membrane-water cathode system, 2) analyzing the water-electrolysis current curve, and 3) measuring bulk liquid phase pH. Formation of induced TELPs was subsequently discovered in an anode water-membrane-water-membrane-water cathode system. The discovery of induced TELPs enabled clean experimental tests on the cation-TELPs exchange process by using sodium bicarbonate or potassium bicarbonate solution in the central liquid chamber. The sodium/TELPs exchange …
Application Of Telc Model To Better Elucidate Neural Stimulation By Touch, James Weifu Lee
Application Of Telc Model To Better Elucidate Neural Stimulation By Touch, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
Aim: This study is to better understand how the transient ion transport activity of touch receptors could change the graded potential to stimulate an action potential firing.
Methods: The latest transmembrane-electrostatically localized protons/cations charges (TELC) theory is employed for numerical analysis to calculate the neural touch signal transduction responding time required to fire an action potential spike.
Results: A neural action potential spike was constructed successfully using newly developed time-dependent TELC-based neural transmembrane potential integral equations (Equations 5, 6, and 7). The results explicated that the TELC curve has an inverse relationship with neural transmembrane potential since its curve appears …
The B³Π–A³Δ And B³Π–X¹Σ+ Band Systems Of Zro, Manish Bhusal, Peter F. Bernath, Jacques Liévin, Léo Lavy
The B³Π–A³Δ And B³Π–X¹Σ+ Band Systems Of Zro, Manish Bhusal, Peter F. Bernath, Jacques Liévin, Léo Lavy
Chemistry & Biochemistry Faculty Publications
The zirconium oxide (ZrO) b³Π–a³Δ system is a prominent source of opacity in the atmospheres of S-type stars in the near-infrared region. The emission spectra of ZrO, obtained at the National Solar Observatory located at Kitt Peak in Arizona, have been utilized to analyze this band system. A reanalysis of the 0–0 vibrational band of the b³Π–a³Δ transition has been carried out. For the first time, the vibrational bands with 1 ⩽ v ′ ⩽ 3 and v″ ≤ 4 for the same electronic transition have been rotationally analyzed using PGOPHER. Additionally, the 0–0 and 1–1 bands of the spin-forbidden …
Identification Of Π-Stacking Motifs In Naphthalene Diimides Via Solid-State Nmr, Jennifer E. Mejia, Hannah E. Butler-Au, Nalaya E. Thompson, Karcher D. Goodman, Elizabeth R. Zengel, Robert D. Pike, Jingdong Mao, Craig A. Bayse
Identification Of Π-Stacking Motifs In Naphthalene Diimides Via Solid-State Nmr, Jennifer E. Mejia, Hannah E. Butler-Au, Nalaya E. Thompson, Karcher D. Goodman, Elizabeth R. Zengel, Robert D. Pike, Jingdong Mao, Craig A. Bayse
Chemistry & Biochemistry Faculty Publications
Organic electronics, featuring π-conjugated small molecules and polymers, have gained significant attention for their potential in flexible, lightweight devices. However, characterization of the ordered, π-stacking domains within these materials using microscopy or X-ray diffraction (XRD) is challenging with complex systems or when crystallography is impractical. This study applied 1D ¹³C multiple cross-polarization magic angle spinning (multiCP/MAS) and 2D ¹H-¹³C heteronuclear correlation (HetCor) solid-state nuclear magnetic resonance (ssNMR) to systematically characterize π-stacking motifs in a series of N,N'-dialkyl naphthalene diimides (NDIs). These techniques were shown to distinguish between the electronic environments attributed to different π-stacking motifs adopted in these NDIs, such …
Oxidation Camouflages Terrestrial Organic Matter To Appear Marine-Like, Aleksandar I. Goranov, Susan J. Carter, Ann Pearson, Patrick G. Hatcher
Oxidation Camouflages Terrestrial Organic Matter To Appear Marine-Like, Aleksandar I. Goranov, Susan J. Carter, Ann Pearson, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
The export of terrestrial organic matter (TOM) to the ocean has been traditionally viewed to be minimal or only of significance in near-coastal continental margins. The broadly accepted explanation for the widespread loss of terrestrial lignin biomarkers and apparent disappearance of the <-25‰ stable carbon isotopic signature (δ¹³C) of TOM is that TOM is almost fully degraded before reaching the open ocean. Oceanic carbon (δ¹³C value ≥ -22‰) is therefore thought to be derived primarily from algae. However, an alternative explanation for the different molecular and δ¹³C signatures in terrestrial and marine environments may be that oxidative processing transforms TOM to appear marine-like. To test this hypothesis, we subjected eight TOM samples to a strong oxidation gradient. At carbon losses typical of TOM degradation during transport and sedimentation (above 60%), the differentiators of provenance disappeared, leaving a residue that was marine-like both chemically (aliphatic- and nitrogen-rich) and isotopically (δ¹³C enrichment of 4 to 9‰). This challenges the validity of conventional two-endmember mixing models, suggesting that a much larger fraction than previously estimated of the organic matter found in the ocean may originate from terrestrial sources, impacting global models of carbon cycling and sequestration.
Amphiphilic Tripodal Metalloligands: Synthesis, Coordination Chemistry And Preliminary Catalysis, Austin W. Medley, Paul D. Miller, Craig A. Bayse, Robert D. Pike, Trandon A. Bender
Amphiphilic Tripodal Metalloligands: Synthesis, Coordination Chemistry And Preliminary Catalysis, Austin W. Medley, Paul D. Miller, Craig A. Bayse, Robert D. Pike, Trandon A. Bender
Chemistry & Biochemistry Faculty Publications
Triscatecholate binding has been widely studied in the context of biological systems, supramolecular chemistry, and weak aggregate interactions. However, the utilization of the triscatecholate binding motif for the preparation of metalloligands remains unexplored. Herein, we report the synthesis, structural characterization, and functional studies of a triscatecholate ligand with an appended pyridyl residue as a candidate for such applications. Our findings reveal that the selective formation of cis-triscatecholate-based metalloligands is influenced by electronic effects on the catecholate anions, enabling the targeted synthesis of Al(III), Ga(III), and In(III) triscatecholate metalloligands capable of binding Zn(II) and Ru(II) at the appended pyridyl moiety for …
Twenty Years Of Global Stratospheric Fluorine Inventories From Atmospheric Chemistry Experiment Fourier Transform Spectrometer (Ace-Fts) Measurements, N. Raymond, P. Bernath, C. Boone, M. Chipperfield
Twenty Years Of Global Stratospheric Fluorine Inventories From Atmospheric Chemistry Experiment Fourier Transform Spectrometer (Ace-Fts) Measurements, N. Raymond, P. Bernath, C. Boone, M. Chipperfield
Chemistry & Biochemistry Faculty Publications
We present fluorine inventories calculated for twenty years (2004–2023) and five latitude bands (82°–60°N, 60°–30°N, 30°N–30°S, 30°–60°S, and 60°–82°S) at altitudes from the surface up to 55 km. The inventories were calculated using the Atmospheric Chemistry Experiment Fourier transform spectrometer (ACE‐FTS) version 5.2 retrievals of the volume mixing ratios (VMRs) of 15 fluorine‐containing species. Of these 15 species, 3 are product gases: HF, COF₂, COCIF, and 12 are source gases: SF₆, PFC-14 (CF₄), CFC-11 (CCl₃F), CFC-12 (CCl₂F₂), CFC-113 (CCIF₂CCl₂F), HCFC-22 (CHF₂CL), HCFC-141b(C₂H₃Cl₂F), HCFC-142b ( …
Artificial Intelligence In Achieving Sustainable Development: Expectations Of Undergraduate Students, Jinhee Kim
Artificial Intelligence In Achieving Sustainable Development: Expectations Of Undergraduate Students, Jinhee Kim
STEMPS Faculty Publications
While there has been ample discussion regarding Artificial Intelligence (AI)’s contributions and challenges on the development agenda at the policy level, little is known about how students translate the potential and barriers of AI in achieving Sustainable Development Goals (SDGs). Drawing upon various qualitative data, including class observation, focus group interviews, and learning activity outcomes generated by 240 students across 7 different majors, this case study explores the expected roles of AI as well as barriers to AI adoption for sustainable development perceived by undergraduate students. The study revealed that students anticipated AI to play diverse roles, including data analyst, …
The Strategic And Governance Implications Of Solar Radiation Modification: Perspectives From Delegates Of International Climate Negotiations, Todd L. Cherry, Steffen Kallbekken, David M. Mcevoy, Wai Yan Siu
The Strategic And Governance Implications Of Solar Radiation Modification: Perspectives From Delegates Of International Climate Negotiations, Todd L. Cherry, Steffen Kallbekken, David M. Mcevoy, Wai Yan Siu
ODU Articles
The lack of progress in addressing climate change has led to increased interest in solar radiation modification (SRM)—a collection of large-scale interventions that cool the planet by managing the amount of solar radiation that reaches the earth. SRM complicates climate change governance because, in addition to advancing collective action to reduce greenhouse gas emissions, governance needs to restrain unilateral SRM action while balancing diverging actor interests, ethical risks and scientific uncertainty. We survey international climate policy experts for their assessments of the potential for effective global governance of SRM and the likelihood of possible international responses to unilateral SRM scenarios. …
High-Resolution Modeling Of Extreme Heat Events With Socioeconomic Consideration: A Real-Case Wrf-Les Approach, Maryam Golbazi, Frank Liu, Yin-Hsuen Chen, Timothy W. Juliano, Heather Richter
High-Resolution Modeling Of Extreme Heat Events With Socioeconomic Consideration: A Real-Case Wrf-Les Approach, Maryam Golbazi, Frank Liu, Yin-Hsuen Chen, Timothy W. Juliano, Heather Richter
ODU Articles
The overarching goals of this work is to explore best practices for micro-scale modeling of a real case, identify relevant phenomena by using high-resolution modeling, and to explore their implications for public health, and climate resilience strategies in Hampton Roads, VA, USA. This project employs the Weather Research and Forecasting (WRF) model to conduct a comprehensive study of Hampton Roads, utilizing a coupled mesoscale to microscale modeling capable of resolving boundary layer turbulence. This study has three primary objectives: (1) to establish the optimal mesoscale to Large-Eddy Simulation (LES) configurations for complex geographical regions such as the Hampton Roads (HR) …
Analysing Nontraditional Students' Chatgpt Interaction, Engagement, Self-Efficacy And Performance: A Mixed-Methods Approach, Mohan Yang, Shiyan Jiang, Belle Li, Kristin Herman, Tian Luo, Shanan Chappell Moots, Nolan Lovett
Analysing Nontraditional Students' Chatgpt Interaction, Engagement, Self-Efficacy And Performance: A Mixed-Methods Approach, Mohan Yang, Shiyan Jiang, Belle Li, Kristin Herman, Tian Luo, Shanan Chappell Moots, Nolan Lovett
STEMPS Faculty Publications
Generative artificial intelligence brings opportunities and unique challenges to nontraditional higher education students, stemming, in part, from the experience of the digital divide. Providing access and practice is critical to bridge this divide and equip students with needed digital competencies. This mixed-methods study investigated how nontraditional higher education students interact with ChatGPT in multiple courses and examined relationships between ChatGPT interactions, engagement, self-efficacy and performance. Data were collected from 73 undergraduate and graduate students through chat logs, course reflections and artefacts, surveys and interviews. ChatGPT interactions were analysed using four metrics: prompt number, depth of knowledge (DoK), prompt relevance and …
Guiding Evolutionary Algorithms With Large Language Models To Learn Fuzzy Cognitive Maps, Ryan Schuerkamp, Philippe J. Giabbanelli
Guiding Evolutionary Algorithms With Large Language Models To Learn Fuzzy Cognitive Maps, Ryan Schuerkamp, Philippe J. Giabbanelli
VMASC Publications
Fuzzy Cognitive Maps (FCMs) are interpretable simulation models that represent causal relationships between concepts as a weighted digraph with labeled nodes. They serve to examine a system’s structure (e.g., what concepts are critical to spreading an intervention’s effects?) and long-term behavior (e.g., if we increase fruit availability, how will its consumption change?). When modelers build FCMs by leveraging participants’ knowledge, the resulting participant-built FCMs can be analyzed and interpreted since participants report perceived causality. However, engaging enough knowledgeable participants to construct an FCM can be challenging. Alternatively, machine learning algorithms derive FCMs from data by selecting relationships to maximize a …
Utilizing Artificial Intelligence As A Strategic Risk Management Tool For Public Sector Operations And Auditing Processes, Oğuz Ümit Tamer, Bruce D. Mcdonald Iii, Farouk Hemici, Georgia Kontogeorga
Utilizing Artificial Intelligence As A Strategic Risk Management Tool For Public Sector Operations And Auditing Processes, Oğuz Ümit Tamer, Bruce D. Mcdonald Iii, Farouk Hemici, Georgia Kontogeorga
School of Public Service Faculty Publications
Symbolizing a significant turning point in the historical landscape, AI is becoming an effective tool in today's public administration, not only for increasing capacity, quality, and speed in services, but also for strategic risk management. Regulators and algorithmic auditing play a central role in implementing fairness, transparency, and persistent controls against risks in AI systems. Discussing modern applications of AI, such as anomaly-based fraud detection, resource estimation, and continuous auditing, and their respective strengths and weaknesses, this study concludes that AI significantly enhances efficiency and oversight but also poses the risk of enshrining bias, opacity, and accountability gaps. By considering …
Engagement In Practice: Partnering With Communities To Address Nuisance Flooding Challenges, Carol L. Considine, Mujde Erten-Unal, Dalya Ismael, Luka Alandra Hamal-Serenity, Farzaneh Soflaei
Engagement In Practice: Partnering With Communities To Address Nuisance Flooding Challenges, Carol L. Considine, Mujde Erten-Unal, Dalya Ismael, Luka Alandra Hamal-Serenity, Farzaneh Soflaei
Engineering Technology Faculty Publications
Many communities are already experiencing the impacts of climate change that disrupt their daily lives. In Coastal Virginia, these impacts take the form of nuisance and stormwater flooding caused by sea level rise and changes in precipitation. Coastal Virginia has one of the highest relative sea level rise rates on the Atlantic Coast and the regional planning district commission recommends that Atlas 14 rainfall intensity, duration, and frequency curves be increased by 20% to account for changes in rainfall. The Coastal Community Design Collaborative (CCDC), a partnership between Hampton University Architecture and Old Dominion University Engineering & Technology, has had …
Leveraging Transformer-Based Ocr Model With Generative Data Augmentation For Engineering Document Recognition, Wael Khallouli, Mohammad Shahab Uddin, Andres Sousa-Poza, Jiang Li, Samuel Kovacic
Leveraging Transformer-Based Ocr Model With Generative Data Augmentation For Engineering Document Recognition, Wael Khallouli, Mohammad Shahab Uddin, Andres Sousa-Poza, Jiang Li, Samuel Kovacic
Engineering Management & Systems Engineering Faculty Publications
The long-standing practice of document-based engineering has resulted in the accumulation of a large number of engineering documents across various industries. Engineering documents, such as 2D drawings, continue to play a significant role in exchanging information and sharing knowledge across multiple engineering processes. However, these documents are often stored in non-digitized formats, such as paper and portable document format (PDF) files, making automation difficult. As digital engineering transforms processes in many industries, digitizing engineering documents presents a crucial challenge that requires advanced methods. This research addresses the problem of automatically extracting textual content from non-digitized legacy engineering documents. We introduced …
T3-Ciders: Train-The-Trainer And Community Building To Increase Cyberinfrastructure Adoption In Cybersecurity Research And Education, Wirawan Purwanto, Mohan Yang, Peng Jiang, Shanan Chappell Moots, Masha Sosonkina, Hongyi Wu
T3-Ciders: Train-The-Trainer And Community Building To Increase Cyberinfrastructure Adoption In Cybersecurity Research And Education, Wirawan Purwanto, Mohan Yang, Peng Jiang, Shanan Chappell Moots, Masha Sosonkina, Hongyi Wu
University Administration Publications
T³-CIDERS is a train-the-trainer program to increase the adoption of advanced cyberinfrastructure (CI) and data skills into the fabric of research and education in cybersecurity and cyber-related disciplines. T³-CIDERS trains faculty, researchers, and students as “future trainers” (FTs) with hands-on technical and instructional skills to enable more people to effectively leverage CI in cybersecurity. The program includes a series of technical pre-training modules, a weeklong summer institute, ongoing learning engagements conducted over an academic year; it culminates with the FTs conducting locally tailored CI-infused training events at their respective home institutions. Ultimately, T³-CIDERS aims to build a “CI+cybersecurity” community of …
Detecting Sars-Cov-2 In Ct Scans Using Vision Transformer And Graph Neural Network, Kamorudeen Amuda, Almustapha Wakili, Tomilade Amoo, Lukman Agbetu, Qianlong Wang, Jinjuan Feng
Detecting Sars-Cov-2 In Ct Scans Using Vision Transformer And Graph Neural Network, Kamorudeen Amuda, Almustapha Wakili, Tomilade Amoo, Lukman Agbetu, Qianlong Wang, Jinjuan Feng
Electrical & Computer Engineering Faculty Publications
The COVID-19 pandemic has presented significant challenges to global healthcare, bringing out the urgent need for reliable diagnostic tools. Computed Tomography (CT) scans have proven instrumental in detecting COVID-19-induced lung abnormalities. This study introduces Convolutional Neural Network, Graph Neural Network, and Vision Transformer (ViTGNN), an advanced hybrid model designed to enhance SARS-CoV-2 detection by combining Graph Neural Networks (GNNs) for feature extraction with Vision Transformers (ViTs) for classification. Using the strength of CNN and GNN to capture complex relational structures and the ViT capacity to classify global contexts, ViTGNN achieves a comprehensive representation of CT scan data. The model was …