Digital Commons Network^™

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 …

M Star Opacities: The B³Π–X³Δ Band System Of Tio, Peter F. Bernath, Manish Bhusal, Mirek R. Schmidt

Chemistry & Biochemistry Faculty Publications

The spectra of titanium monoxide (TiO) are used to classify M stars. TiO experimental cross sections based on a high-resolution emission spectrum recorded with a Fourier transform spectrometer at the National Solar Observatory are used for the analysis of the TiO B³Π–X³Δ transition (𝛾' system). The 3–2 and 4–3 vibrational bands are analyzed for the first time, and the analysis of the 2–1 band is revised. The transition dipole moment function from an ab initio calculation is used to calculate the band strengths. These band strengths are used to produce a B³Π–X³Δ line list for the vibrational levels v' ⩽ …

Phytochemical Analysis, Antioxidant, And Antibacterial Properties Of Partition Fractions Of Adansonia Digitata And Annona Muricata Extracts Using Chloroform, Ethyl Acetate, Ethanol, And Aqueous Solvent Systems, Fagbohun Oyenike Bushirat, Hassan Abdusalam Adewuyi, Sakariyau Adio Waheed, Maryam Nana Musa, Timothy God-Giveth Olusegun, Ayomide Babatunde Ishola, Agumage Idoko, Adeola Victor Kolawole, Adesanmi Adefunmilayo Oluwatuyi, Sarah Ngozi Agwasim

Chemistry & Biochemistry Faculty Publications

Adansonia digitata and Annona muricata are traditionally used medicinal plants with reported pharmacological properties. In this study, we aimed to elucidate the phytochemical composition, antioxidant activity, and antibacterial properties of partition fractions of Adansonia digitata and Annona muricata extracts obtained using chloroform, ethyl acetate, ethanol, and aqueous solvent systems. The plant extracts were successively partitioned using chloroform, ethyl acetate, ethanol, and aqueous solvent systems. Phytochemical analysis was performed using standard methods. Antioxidant activity was evaluated using FRAP and DPPH assays. Antibacterial activity was assessed using agar well diffusion and MIC determination. Phytochemical analysis revealed the presence of alkaloids (10.2-15.6%), flavonoids …

Evaluating The Chemical Reactivity Of Wildfire-Derived Dissolved Organic Molecules: Glutathione Binding Through Kendrick Mass Defect Analysis, Hannah M. Hamontree, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

The emerging risks to organisms of pyrogenic-derived dissolved organic matter (PyDOM) from forest fires are of concern due to its toxic and mutagenic potential (e.g., pro-oxidative responses in fauna through the depletion of glutathione, a nitrogen- and sulfur-containing tripeptide found in cells). This study simulates this phenomenon in a laboratory setting by identifying bonding between reduced l-glutathione and organic molecules in leachates from environmentally weathered biomass samples (charred and uncharred) using Kendrick Mass Defect (KMD) analysis from formula lists obtained from negative-mode electrospray ionization-Fourier transform-ion cyclotron resonance-mass spectrometry ((-)ESI-FT-ICR-MS). These formula lists reveal a 10-fold increase in nitrogen- and sulfur-containing …

The Importance Of Atomic Charges For Predicting Site-Selective Ir-, Ru-, And Rh-Catalyzed C-H Borylations, Shannon M. Stephens, Kyle M. Lambert

Chemistry & Biochemistry Faculty Publications

A supervised machine learning model has been developed that allows for the prediction of site selectivity in late-stage C-H borylations. Model development was accomplished using literature data for the site-selective (≥95%) C-H borylation of 189 unique arene, heteroarene, and aliphatic substrates that feature a total of 971 possible sp² or sp³ C-H borylation sites. The reported experimental data was supplemented with additional chemoinformatic descriptors, computed atomic charges at the C-H borylation sites, and data from parameterization of catalytically active tris-boryl complexes resulting from the combination of seven different Ir-, Ru-, and Rh-based precatalysts with eight different ligands. Of the over …

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 ( …

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 …

The Importance Of Solution Studies For The Structural Characterization Of The Enterovirus 5' Cloverleaf, Morgan G. Daniels, Meagan E. Werner, Xiaobing Zuo, Steven M. Pascal

Chemistry & Biochemistry Faculty Publications

Enteroviruses initiate genomic replication via a highly conserved mechanism that is controlled by an RNA platform, also known as the 5' cloverleaf (5'CL). Here, we present a biophysical analysis of the 5'CL conformation of three enterovirus serotypes under various ionic conditions, utilizing CD spectroscopy, size-exclusion chromatography, and small-angle X-ray scattering. In general, a tendency toward a smaller monomeric hydrodynamic radius in the presence of salts was observed, but the exact structural signature of each 5'CL varied depending upon the serotype. Rhinovirus B14 (RVB14) exhibited at least two monomeric conformations and a low propensity for dimerization, while poliovirus 1 (PV1) showed …

Nucleotide-Derived Bacterial Alarmones Attenuate The Induction Of Type-I Interferon Responses In A Murine Macrophage Reporter Cell Line, Ryan P. Kilduff, Erin B. Purcell, Lisa M. Shollenberger

Chemistry & Biochemistry Faculty Publications

The stringent response is a well-studied phenomenon in many bacterial systems and regulates resource-consuming activities such as transcription, translation, and replication. The stringent response is a well-conserved signaling framework, as are the nucleotide-derived signaling mediators, collectively referred to as (p)ppGpp or as alarmones. There is a wealth of research evaluating nucleotide-derived alarmone signaling in bacterial models, however, their potential to modulate innate immune signaling has not yet been evaluated. Several common pathogen-synthesized molecules, such as lipopolysaccharide (LPS) and cyclic-di-AMP (c-di-AMP), act as pathogen-associated molecular patterns (PAMPs), which are common patterns that alert the innate immune system of bacterial infection. The …

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 …

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. …

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 …

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 …

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 …

Preliminary Validity Of A Daily Functional Status Pain Assessment Tool, Wally R. Smith, Rehan Qayyum, Alexandra Ulbing, Margaret S. Guy, Daniel M. Sop, Yue May Zhang

Department of Medicine Faculty Publications

Objectives: Readiness for discharge for a sickle cell disease vaso-occlusive crisis is dictated by factors far beyond pain control, including physical function/activity. We therefore designed and tested a functional status-based pain assessment questionnaire in SCD patients hospitalized with vaso-occlusive crises.

Methods: Sickle cell disease patients on a preselected nursing unit rated 10 draft Functional status-Based Pain Assessment items of activities of daily living on a 5 point Likert scale (0-5) from “very easy” to “very difficult” daily on each day of their admission until discharge, at approximately the same time. Concurrently, they reported Numeric Rating Scale (0-10) pain intensity. …

Group Antenatal Care Positively Transforms The Care Experience: Results Of An Effectiveness Trial In Malawi, Crystal L. Patil, Kathleen F. Noor, Esnath Kapito, Li C. Liu, Xiaohan Mei, Elizabeth Chodzaza, Genesis Chorwe-Sungani, Ursula Kafuulafula, Elizabeth T. Abrams, Allissa Desloge, Ashley Gresh, Rohan D. Jeremiah, Dhruvi R. Patel, Anne Batchelder, Heidy Wang, Jocelyn Faydenko, Sharon S. Rising, Ellen Chirwa

Department of Medicine Faculty Publications

Background

We developed and tested a Centering-based group antenatal (ANC) model in Malawi, integrating health promotion for HIV prevention and mental health. We present effectiveness data and examine congruence with only the Group ANC theory of change model, which identifies key processes as supportive relationships, empowered partners in learning and care, and meaningful services, leading to better ANC experiences and outcomes.

Methods

We conducted a hybrid effectiveness-implementation trial at seven clinics in Blantyre District, Malawi, comparing outcomes for 1887 pregnant women randomly assigned to Group ANC or Individual ANC. Group effects on outcomes were summarized and evaluated using t-tests, Mann-Whitney, …

The Reliability Gap: How Traditional Search Engines Outperform Artificial Intelligence (Ai) Chatbots In Rosacea Public Health Information Quality, Houston C. Nelson, Morgan T. Beauchamp, April A. Pace

Department of Medicine Faculty Publications

Background: The internet has become a primary source of health information for the public, with important implications for patient decision-making and public health outcomes. However, the quality and readability of this content vary widely. With the rise of generative artificial intelligence (AI) tools such as ChatGPT and Gemini, new challenges and opportunities have emerged in how patients access and interpret medical information.

Objective: To evaluate and compare the quality, credibility, and readability of consumer health information provided by traditional search engines (Google, Bing) and generative AI platforms (ChatGPT, Gemini) using three validated instruments: DISCERN, JAMA Benchmark Criteria, and Flesch-Kincaid Readability …

Oral Microbiome And Inflammatory Bowel Disease: New Understanding And Call To Action, Michael Saadeh, Sydney Donohue, Shaina Ailawadi, Gordon Hong, David A. Johnson

Department of Medicine Faculty Publications

The oral microbiome is the second largest microbial community in the human body after the gut microbiome. It includes an array of fungi, bacteria, amoebae, flagellates, archaea, and viruses, all of which are potential pathogens. This microbiome can act as a facilitator not only for protection but also for aggravation when dysbiosis occurs. Although conventional thought is this is primarily in terms of oral health issues, such as dental caries and gingival disease. The systemic effects of the oral microbiome however, are relevant to both gastrointestinal (GI) disease and non-GI disease. These systemic risks occur for several reasons, including upregulation …

Medical Students' Attitudes Towards Research Participation After The United States Medical Licensing Examination Step 1 Scoring Change, Danxun Li, Nina Li, Curt Bay, Uzoma Ikonne

Department of Medicine Faculty Publications

Background

The recent transition of scoring for the United States Medical Licensing Examination (USMLE) Step 1 exam from a numerical grading system to pass/fail system has significant implications for residency applicants. It is anticipated that research productivity will gain greater importance in the evaluation process. To understand how medical institutions can best support students, we seek to understand medical students' motivations and experience conducting research in medical school after the USMLE Step 1 scoring change.

Methods

This is a mixed-methods, cross-sectional study that examines the motivations and barriers that medical students face in conducting academic or clinical research. A survey …

Blunt Trauma Causing Thrombotic Occlusive Myocardial Infarction, Jace Bradshaw, Alleabelle Bradshaw, Rishab Agarwal, P. Logan Weygandt

Department of Medicine Faculty Publications

Introduction: Traumatic myocardial infarction (TMI) is a rare but serious complication of blunt chest trauma, typically arising from coronary artery dissection, intramural hematoma, or myocardial contusion. Early recognition and intervention are critical, but diagnosis can be challenging given the broad differential for chest pain in trauma patients.

Case presentation: A 66-year-old female presented to a quaternary academic emergency department after a motor vehicle collision with progressive chest pain. Initial electrocardiogram (ECG) showed hyperacute T-waves in lead III, ST depression with T-wave inversion in aVL, and ST depression in V2, with posterior leads revealing ST elevation in V7–V9. Trauma imaging ruled …

Insights From Father-Toddler Communication Via Tiktok, Joy Lee Hernandez, Abha Gupta

Teaching & Learning Faculty Publications

This qualitative study investigates the characteristics of interactions between fathers and toddlers, as well as their influence on language development. By utilizing video clips from the social media platform TikTok, this research observes and analyses fathers' responses and interactions with their toddlers. The findings indicate that fathers play a crucial role in supporting language development by engaging in conversations, expanding vocabulary, and providing emotional support. The study underscores the significance of fathers' involvement in nurturing language skills during early childhood. However, further longitudinal research is necessary to establish a definitive link between fathers' language input and toddlers' language development. Overall, …

Tikking The Tok And Leading The Way: Teacherpreneurs Leading On Tiktok, Jori S. Beck, Derrick Riddle

Teaching & Learning Faculty Publications

Teacher shortages in the United States have increased the need for resources for teachers just learning to teach. The purpose of this study was to explore how teacherpreneurs, a type of teacher leader, are leading on TikTok. We grounded this study in the research on teacher leadership, including the five waves of teacher leadership and the most recent development of teacherpreneurship, as well as social media influencers. We qualitatively analyzed 300 videos from 30 different teacherpreneuers to determine the following themes: diverse narratives, entertainment, instructional resources, and advocacy. We describe implications for practice, including teacher preparation, as well as future …

Digital Humanities: Using Computational Methods On Literature To Understand Human-Water Relations, Ariel Yang

Cybersecurity Undergraduate Research Showcase

By using computational techniques to analyze literature, deeper insights can be gained into human-water relationships across different historical and cultural contexts. Natural Language Processing (NLP) and other data science methods can explore applications of traditional ecological knowledge (TEK) and underlying emotions or beliefs in literature to help understand sustainability. Protecting this sensitive cultural data through ethical applications can further secure future implementations of policies, urban planning, and environmental relationships.

Security Vulnerabilities In Mobile Operating Systems Used In Iot Devices: An Examination Of Current Challenges And Countermeasures, Isain Cortes Jr.

Cybersecurity Undergraduate Research Showcase

No abstract provided.

Drone Vs. Drone, Mariah Smith

Cybersecurity Undergraduate Research Showcase

This paper focuses on the problems that drones pose to digital and physical infrastructure, as well as potential solutions to combat these issues. One solution is incorporating drone usage into ethical hacking. These drone-based attacks are affecting not only economic spaces but also seemingly high-security areas such as prison systems. It is only a matter of time before critical infrastructure is targeted. Conversely, by simulating drone attacks, drones equipped with complex hacking tools and sensors can detect unauthorized pathways and infiltrate networks for the greater good. Incorporating these new practices would enhance digital and physical protection. "Drone vs. Drone" highlights …

A Dynamical Systems Approach For Modeling Malware Propagating Through A Network And Potential Solutions Towards Mitigating Spread, James Johnson

Cybersecurity Undergraduate Research Showcase

Many people draw close parallels between malware propagating through a network and an epidemic spreading through a population. Epidemics are often modeled by a Susceptible-Infected-Recovered (SIR) model, in which a similar system of equations can model the spread of a virus through a computer network, and can be simplified when making assumptions about the network itself and its fixed number of nodes and edges. In this instance, malware propagating in a network also should reflect the network it is propagating through, in which the dynamical system will factor in the nodes of the network and their properties. The system itself …

Enhancing 3d Knowledge-Based Authentication In Vr By Having Fun, William James Doyle V, Christopher Kreider

Cybersecurity Undergraduate Research Showcase

In the modern era of cyber attacks, and an ever-changing online world, safety and security must constantly evolve to fit the current standards. In virtual reality (VR) simple keyboard-typed passwords are a thing of the past. These passwords are complicated and frustrating to input. Along with the creation of VR, it also opened the door to a new era of password-based authentication. Using these systems' technology, password inputting can be a fun experience. These passwords are not only easier, and less frustrating to input, but as shown in previous studies, they can also be faster while still being secure. In …

First Amendment Roadblock? Regulating The Misuse Of Generative Ai Technologies: Impersonation And Appropriation Of Likeness Without Permission, Muhammad Rabiu

Cybersecurity Undergraduate Research Showcase

This paper initially explores the misuse of generative AI technologies, particularly their role in impersonating or appropriating individuals' likeness without consent. It will then analyze technical and legal mitigation strategies and propose recommendations to address this issue in light of the First Amendment’s constitutional Freedom of Speech provision.

From Classroom To Cloud: Why Cybersecurity Education Is Crucial For Tomorrow's Learners, Kiori Edwards

Cybersecurity Undergraduate Research Showcase

This paper examines the transformative impact of cloud computing on education, highlighting how cloud technologies are reshaping teaching and learning environments, making education more accessible, flexible, and collaborative. It also explores the critical importance of incorporating cybersecurity education into school curricula. As digital devices and cloud-based platforms become integral to students' daily lives, they are increasingly vulnerable to cyber threats. This paper argues that early cybersecurity education, starting at the elementary level, is essential for equipping future generations with the knowledge and skills needed to navigate the digital world safely, protect their personal information, and avoid cybercrime.

Phishing Emails: An Evolving Cyberattack, Brooke Waltz

Cybersecurity Undergraduate Research Showcase

This paper describes the history of phishing attacks and how they turned into cyberattacks, focusing on companies. Over the course of 34 years, phishing has been evolving at an alarming rate, especially with AI now coming into play. As phishing attacks have become more prominent towards companies, there has been an increase in financial loss and data breaches, resulting in a loss of trust in companies. With this loss, companies are trying to find solutions to this problem. Some notable attacks were the RSA breach in 2011, the Texas Energy Company in 2014, and the ILOVEYOU virus in 2000. They …