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Full-Text Articles in Physical Sciences and Mathematics

Polymorphism Crystal Structure Prediction With Adaptive Space Group Diversity Control, Sadman Saadeed Omee, Lai Wei, Jianjun Hu Sep 2025

Polymorphism Crystal Structure Prediction With Adaptive Space Group Diversity Control, Sadman Saadeed Omee, Lai Wei, Jianjun Hu

Faculty Publications

Crystalline materials can form different structural arrangements (i.e., polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they are synthesized or the conditions under which they operate. For example, carbon can exist as graphite (soft, conductive) or diamond (hard, insulating). Computational methods that can predict these polymorphs are vital in materials science, which help understand stability relationships, guide synthesis efforts, and discover new materials with desired properties without extensive trial-and-error experimentation. However, effective crystal structure prediction (CSP) algorithms for inorganic polymorph structures remain limited. ParetoCSP2 is proposed, a multi-objective genetic algorithm for polymorphism CSP that incorporates …


Effects Of Climate Change On River And Groundwater Nutrient Inputs To The Coastal Ocean, Christina M. Richardson, Bernhard Peucker-Ehrenbrink, Shea Wyatt, Annie Bourbonnais, Vanessa Hatje, Claudia Frey, Tina Sanders, Diana E. Varela, Adina Paytan Sep 2025

Effects Of Climate Change On River And Groundwater Nutrient Inputs To The Coastal Ocean, Christina M. Richardson, Bernhard Peucker-Ehrenbrink, Shea Wyatt, Annie Bourbonnais, Vanessa Hatje, Claudia Frey, Tina Sanders, Diana E. Varela, Adina Paytan

Faculty Publications

Rivers and groundwater are major sources of nutrients to the global coastal ocean. Climate change is expected to impact nutrient fluxes from river basins and coastal aquifers through alterations to both hydrological and nutrient cycling processes. In this Review, we identify and summarize how climate change impacts, such as changes in precipitation, increased cryosphere melt, and sea level rise, will affect water discharge and nutrient concentrations in rivers and coastal groundwater, which ultimately control nutrient inputs to the coastal ocean. We also document key limitations in the current understanding of climate-related changes to nutrient fluxes, especially in coastal groundwater basins. …


Assessing Inclusion Within Naaee Affiliate Ee Associations And Where To Go From Here, Connor Chilton Sep 2025

Assessing Inclusion Within Naaee Affiliate Ee Associations And Where To Go From Here, Connor Chilton

Theses and Dissertations

Environmental Education (EE) has a history that has been typically defined by traditionally dominant identities (White, male, able-bodied, etc.). The North American Association for Environmental Education (NAAEE) offers a unique position as frontrunners for the field of EE and have the duty to provide an inclusive-minded education for and about the environments throughout the world. Through NAAEE’s affiliate network within the United States, this paper details a glimpse into the work towards inclusion by surveying its leadership position holders about the broad subject and several interconnections of inclusion. Upon completion of the survey, participants who opted to participate in a …


Effect Of Vitamin D Supplementation During Pregnancy And Lactation On The Development Of Infants Born To Tanzanian Women Living With Hiv: A Secondary Analysis Of A Randomised Controlled Trial, Temiwunmi Shobanke, Alfa Muhihi, Nandita Perumal Phd, Nzovu Ulenga, Fadhlun M. Alwy Al-Beity, Christopher P. Duggan, Wafaie W. Fawzi, Karim P. Manji, Christopher R. Sudfeld Sep 2025

Effect Of Vitamin D Supplementation During Pregnancy And Lactation On The Development Of Infants Born To Tanzanian Women Living With Hiv: A Secondary Analysis Of A Randomised Controlled Trial, Temiwunmi Shobanke, Alfa Muhihi, Nandita Perumal Phd, Nzovu Ulenga, Fadhlun M. Alwy Al-Beity, Christopher P. Duggan, Wafaie W. Fawzi, Karim P. Manji, Christopher R. Sudfeld

Faculty Publications

Background Infants born to pregnant women living with HIV (WLHIV) are at greater risk for morbidity and mortality and may also have poorer developmental outcomes as compared with infants who are not exposed to HIV. Nutrition interventions in pregnancy may affect developmental outcomes.

Objectives This study evaluated the effect of maternal vitamin D supplementation on infant development outcomes.

Design We conducted a secondary analysis of a randomised, triple-blind, placebo-controlled trial of maternal vitamin D supplementation from June 2015 to October 2019.

Setting Antenatal care clinics in Dar es Salaam, Tanzania.

Participants Pregnant WLHIV and their offspring.

Interventions Daily 3000 IU …


Molecular Architecture And Mechanical Response In Polymeric Materials: Thin Films, Linear-Ring Elastomers, And Lignin, Siteng Zhang Sep 2025

Molecular Architecture And Mechanical Response In Polymeric Materials: Thin Films, Linear-Ring Elastomers, And Lignin, Siteng Zhang

Theses and Dissertations

Understanding the mechanical behavior of polymeric materials is critical to advancing modern technologies, from flexible electronics to sustainable adhesives. This dissertation investigates the micromechanics of polymer thin films, dual-network elastomers, and bio-based lignin materials, with an emphasis on deformation mechanisms, network topology, and mechanical properties. The work combines principles of polymer physics with materials science to uncover structure–property relationships that inform polymer design. This dissertation primarily uses coarse-grained and atomistic molecular dynamics simulations to investigate molecular-scale behavior beyond experimental reach. Through these methods, critical insights are gained into how entanglement, topology, and chain architecture govern bulk material performance. The first …


Wave Intensity Analysis With Exercise Identifies Impairments In Pulmonary Hypertension, Christopher G. Lechuga, Farhan Raza, Mitchel J. Colebank, Claudia E. Korcarz, Jens C. Eickhoff, Naomi C. Chesler Sep 2025

Wave Intensity Analysis With Exercise Identifies Impairments In Pulmonary Hypertension, Christopher G. Lechuga, Farhan Raza, Mitchel J. Colebank, Claudia E. Korcarz, Jens C. Eickhoff, Naomi C. Chesler

Faculty Publications

Wave intensity analysis provides a novel approach to understanding the dynamic interactions between the right ventricle and pulmonary vasculature, particularly in pulmonary hypertension, a condition characterized by elevated pulmonary arterial pressures and vascular remodeling. This prospective study used wave intensity analysis to evaluate right ventricular and pulmonary vascular mechanics in 22 participants with pulmonary hypertension (including precapillary, isolated postcapillary, and combined pre/postcapillary pulmonary hypertension), and three without pulmonary hypertension. Forward and backward compression and decompression waves were quantified at rest and during incremental exercise (25, 50, and 75 W). Relationships between metrics of wave intensity analysis, hemodynamics, right ventricular function, …


Root Exudates: The Rhizospheric Frontier For Advancing Sustainable Plant Protection, Muhammad Rahil Afzal, Misbah Naz, Youbo Yu, Lisha Yan, Peiyi Wang, Janaki Mohotti, Gefei Hao, Jing-Jiang Zhou, Zhou Chen, Libo Zhang, Qian Wang Sep 2025

Root Exudates: The Rhizospheric Frontier For Advancing Sustainable Plant Protection, Muhammad Rahil Afzal, Misbah Naz, Youbo Yu, Lisha Yan, Peiyi Wang, Janaki Mohotti, Gefei Hao, Jing-Jiang Zhou, Zhou Chen, Libo Zhang, Qian Wang

Faculty Publications

Root exudates (REs), a diverse array of bioactive metabolites secreted by plant roots in response to environmental stimuli, serve as key mediators of rhizosphere ecology and plant defense responses, offering a promising avenue for sustainable pest management and eco-friendly plant protection. While earlier reviews primarily focus on root exudates in the context of general rhizosphere dynamics and plant-microbial interactions, critical knowledge gaps persist in REs-plant-pest tripartite interactions, the mechanistic basis of REs-mediated plant defense, and their practical integration with integrated pest management (IPM) frameworks. This review provides a synthesis of the latest literature on the biochemical diversity and functions of …


Decreasing Foraminiferal Flux In Response To Ongoing Climate Change In The Santa Barbara Basin, California, Emily Harvard, Katherine Cherry, Claudia R. Benitez-Nelson, Eric Tappa, Catherine V. Davis Aug 2025

Decreasing Foraminiferal Flux In Response To Ongoing Climate Change In The Santa Barbara Basin, California, Emily Harvard, Katherine Cherry, Claudia R. Benitez-Nelson, Eric Tappa, Catherine V. Davis

Faculty Publications

The rapid response of foraminiferal assemblages to changing climate makes their shells an invaluable geological record of the past. However, the time frame over which foraminifera respond to climatic signals and the specific drivers influencing assemblage composition and abundance remain obscure. We focus on the impact of ongoing, anthropogenic climate change on planktic foraminifera in the California Current ecosystem, which would appear as a nearly instantaneous event in the sediment record. The Santa Barbara Basin sediment trap, located off the coast of California, USA since 1993, provides a record of more than 30 years of particulate and foraminiferal flux in …


Satellite-Based Identification Of Mesoscale And Submesoscale Eddies And Fronts In The Gulf Of Mexico, Ethan Cruz Aug 2025

Satellite-Based Identification Of Mesoscale And Submesoscale Eddies And Fronts In The Gulf Of Mexico, Ethan Cruz

Theses and Dissertations

Mesoscale and submesoscale processes in the Gulf of Mexico (GoM) are fundamental in shaping the region’s physical and biogeochemical ocean dynamics. Advances in high-resolution satellite observations now allow detailed detection of submesoscale (< 25 km radius) and mesoscale eddies and ocean fronts, which drive heat, nutrient, and carbon fluxes. This dissertation integrates two complementary investigations: (1) a comparison of eddy-tracking algorithms: Contour Tracing (CT) and Temperature Thresholding (TT), applied to Optimum Interpolation Sea Surface Temperature (OISST, 1/4°) and Operational Sea Surface Temperature and Ice Analysis (OSTIA, 1/20°) products; and (2) a comparative evaluation of three ocean front detection algorithms: Canny Edge Detection (Canny), the Cayula–Cornillon Algorithm (CCA), and the Belkin–O’Reilly Algorithm (BOA), across multiple satellite-derived parameters, including sea surface temperature (SST), sea surface salinity (SSS), chlorophyll-a (Chl-a), and altimetry-derived absolute dynamic topography (ADT). The eddy-tracking analysis shows that the higher-resolution OSTIA consistently detected more eddies than OISST, with TT performing best during winter when SST gradients were strongest. The front detection analysis, incorporating datasets from the Surface Water and Ocean Topography (SWOT) and Plankton, Aerosol, Cloud, Ocean Ecosystem (PACE) missions, was evaluated under diverse conditions, including flood and drought periods, Loop Current phase changes, and extreme weather events. A machine learning–based Gaussian Mixture Modeling (GMM) approach was also developed, providing a novel framework for dynamic front detection. By benchmarking traditional and machine learning methods, this integrated study identifies optimal algorithm–dataset combinations for resolving submesoscale and mesoscale features in the GoM, with applicability to other regions.


Nitrogen Fertilizer Equivalence Of Red Clover When Inter-Seeded Into Corn, Hannah R. Francis, Ting Fung Ma, Rodrigo Werle, Chelsea H. Zegler, Daniel H. Smith, Douglas J. Soldat, Erika Marin-Spiotta, Matthew D. Ruark Aug 2025

Nitrogen Fertilizer Equivalence Of Red Clover When Inter-Seeded Into Corn, Hannah R. Francis, Ting Fung Ma, Rodrigo Werle, Chelsea H. Zegler, Daniel H. Smith, Douglas J. Soldat, Erika Marin-Spiotta, Matthew D. Ruark

Faculty Publications

Inter-seeding red clover (Trifolium pratense L.) provides an alternative method toincorporate cover crops into continuous corn (Zea mays L.) in the Upper US Midwest. Red clover is a leguminous cover crop that can grow in low-radiation environments and is winter hardy. Systems with red clover have demonstrated improved corn yield and a fertilizer N equivalence but understanding these effects with inter-seeding war-rants further investigation. The objectives of this study were to determine the effect of inter-seeding red clover on (i) plant-available N during and after red clover decomposition, (ii) optimum N rates for corn, and (iii) corn yields. The …


Nitrogen Fertilizer Equivalence Of Red Clover When Inter-Seeded Into Corn, Hannah R. Francis, Ting Fung Ma, Rodrigo Werle, Chelsea H. Zegler, Daniel H. Smith, Douglas J. Soldat, Erika Marin-Spiotta, Matthew D. Ruark Aug 2025

Nitrogen Fertilizer Equivalence Of Red Clover When Inter-Seeded Into Corn, Hannah R. Francis, Ting Fung Ma, Rodrigo Werle, Chelsea H. Zegler, Daniel H. Smith, Douglas J. Soldat, Erika Marin-Spiotta, Matthew D. Ruark

Faculty Publications

Inter-seeding red clover (Trifolium pratense L.) provides an alternative method to incorporate cover crops into continuous corn (Zea mays L.) in the Upper US Midwest. Red clover is a leguminous cover crop that can grow in low-radiation environments and is winter hardy. Systems with red clover have demonstrated improved corn yield and a fertilizer N equivalence but understanding these effects with inter-seeding warrants further investigation. The objectives of this study were to determine the effect of inter-seeding red clover on (i) plant-available N during and after red clover decomposition, (ii) optimum N rates for corn, and (iii) corn …


An Evidence-Based Intervention To Increase Trypanosoma Cruzi, A Neglected Parasitic Infection, Diagnosis In Rural And Moderate-Size-City Us Clinics, M K. Lynn, Hunter M. Boehme, Jeffrey Hall, Patrick Kent, Alain H. Litwin, Quang H. Pham, Melissa Nolan Ph.D., Mph, Prisma Chagas Team Aug 2025

An Evidence-Based Intervention To Increase Trypanosoma Cruzi, A Neglected Parasitic Infection, Diagnosis In Rural And Moderate-Size-City Us Clinics, M K. Lynn, Hunter M. Boehme, Jeffrey Hall, Patrick Kent, Alain H. Litwin, Quang H. Pham, Melissa Nolan Ph.D., Mph, Prisma Chagas Team

Faculty Publications

Background

Chagas disease is a chronic, insidious parasitic infection (Trypanosoma cruzi) that slowly develops to irreversible organomegaly over several decades. The disease is traditionally acquired in endemic Latin American countries during childhood; < 1% of foreign-born adult residents in the United States have been diagnosed or treated with this potentially fatal disease. Low physician knowledge is a primary factor leading to misdiagnosis.

Methods

Starting in April 2022, a 4-part T cruzi clinical education intervention began, which included (i) 2 grand rounds presentations to >100 internal medicine providers; (ii) implementation of a “clinical Chagas champions program” incorporating 14 key clinical staff at varying departments and administrative levels educated on their specific role related to T cruzi screening, diagnosis confirmation, clinical management, and medical billing; ( …


Integrated Algorithm And Hardware Design For Hybrid Neuromorphic Systems, James Seekings, Mahsa Ardakani, Peyton Chandarana, Arshia Eslami, Mohammadreza Mohammadi, Ramtin Zand Aug 2025

Integrated Algorithm And Hardware Design For Hybrid Neuromorphic Systems, James Seekings, Mahsa Ardakani, Peyton Chandarana, Arshia Eslami, Mohammadreza Mohammadi, Ramtin Zand

Faculty Publications

This paper investigates the combined potential of neuromorphic and edge computing to develop a flexible machine learning (ML) system designed for processing data from dynamic vision sensors. We build and train hybrid models that integrate spiking neural networks (SNNs) and artificial neural networks (ANNs) using the PyTorch and Lava frameworks. We explore the effects of quantization on ANN models to assess its impact on both accuracy and energy efficiency. Additionally, we address the challenges of deploying hybrid models on hardware by implementing individual components on specific edge platforms. We also propose an accumulator circuit to bridge the spiking and non-spiking …


Growth Of Cylindrical Micelles And Their Use To Prepare Porous Materials With Tailored Dimensions And Alignment, Mengxue Zhang, Xiaomeng Li, Chuanbing Tang, Morgan Stefik Aug 2025

Growth Of Cylindrical Micelles And Their Use To Prepare Porous Materials With Tailored Dimensions And Alignment, Mengxue Zhang, Xiaomeng Li, Chuanbing Tang, Morgan Stefik

Faculty Publications

Materials with cylindrical pores are optimal for electrochemical devices and filtration due to their straight paths with minimal tortuosity when aligned. Polymer templates have led to many individual cylindrical architectures however the independent tailoring of pore and wall dimensions has remained elusive. Here short cylindrical micelle templates (PEO-b-PS) with glassy cores enabled the fabrication of sample series with constant cylindrical pore diameter (∼63 nm) and tailored wall thickness (TiO2, ∼45–100 nm). This ShortCyl series (aspect ratio 4.25) had modest alignment that was attributed to the low free-energy cost for misalignment. Though the plasticized micelles (DCM present) …


Changes In Mental Health Care Utilisation Before And During The Covid-19 Pandemic Among People Living With Hiv In The Usa: A Retrospective Cohort Study Using The All Of Us Dataset, Atena Pasha, Shan Qiao, Jiajia Zhang Ph.D., Ruilie Cai, Buwei He, Xueying Yang, Chen Liang Ph.D., Sharon Weissman, Xiaoming Li Ph.D. Aug 2025

Changes In Mental Health Care Utilisation Before And During The Covid-19 Pandemic Among People Living With Hiv In The Usa: A Retrospective Cohort Study Using The All Of Us Dataset, Atena Pasha, Shan Qiao, Jiajia Zhang Ph.D., Ruilie Cai, Buwei He, Xueying Yang, Chen Liang Ph.D., Sharon Weissman, Xiaoming Li Ph.D.

Faculty Publications

Introduction Despite the profound impact of the COVID-19 pandemic on people living with HIV (PLWH) mental health, large-scale, real-world data on mental healthcare utilisation and associated factors among PLWH remain limited. This study explores mental healthcare utilisation and associated factors among PLWH during the COVID-19 pandemic.

Methods Using a retrospective cohort design, we identified and included 4575 PLWH through computational phenotyping based on relevant Observational Medical Outcomes Partnership Common Data Model concept sets from the All of Us programme between March 2018 and March 2022. Mental healthcare utilisation was measured using the yearly count of mental healthcare visits and compared …


Neighborhood Socioeconomic Status And Overall Survival Among Children With Acute Lymphoblastic Leukemia, Anna Hoppmann, Debroah M. Hurley, Stuart Cramer, Monique J. Brown Ph.D., Mph Aug 2025

Neighborhood Socioeconomic Status And Overall Survival Among Children With Acute Lymphoblastic Leukemia, Anna Hoppmann, Debroah M. Hurley, Stuart Cramer, Monique J. Brown Ph.D., Mph

Faculty Publications

A disadvantaged neighborhood, as represented by area-level socioeconomic status (SES) has been associated with adverse outcomes among children with acute lymphoblastic leukemia (ALL) in the US, but the duration of impact after ALL diagnosis is not well understood. This retrospective cohort study utilized the National Cancer Database (NCDB) to examine the impact of area-level SES on overall survival among children with ALL. Median income and education quartiles based on residential zip code were used to create a composite area-level SES variable. Individual-level variables included age, sex, race, year of diagnosis, primary payer, distance to care, rurality, time to treatment, and …


Assessing The Costs Of Constructed Floating Wetlands For The Treatment Of Surface Waters And Wastewater, John Awad, Christopher Walker, Declan Page, Muhammad Arslan, Sarah A. White, Terry Lucke, Simon Beecham, Ryan J. Winston, William H.J. Stonsnider, Phil Nicodemus, Chris Streb, John Van Leeuwen Aug 2025

Assessing The Costs Of Constructed Floating Wetlands For The Treatment Of Surface Waters And Wastewater, John Awad, Christopher Walker, Declan Page, Muhammad Arslan, Sarah A. White, Terry Lucke, Simon Beecham, Ryan J. Winston, William H.J. Stonsnider, Phil Nicodemus, Chris Streb, John Van Leeuwen

Faculty Publications

The development of constructed floating wetlands (CFWs) as a nature-based solution for water treatment has progressed over the last 25 years. However, full-scale CFW adoption remains relatively limited due in part to the uncertainty regarding the costs of CFWs in terms of capital and operational expenditure (CAPEX and OPEX) and treatment capacity. This study reports on the costs of 11 international CFW schemes including the factors affecting CAPEX and OPEX and levelized costs of nitrogen and phosphorus removal. The estimated levelized CAPEX and OPEX ranged from US$15/m² to $2537/m² and from $0.5/m² y⁻¹ to $181/m² y⁻¹, respectively, for CFW schemes …


A 12,800-Year-Old Layer With Cometary Dust, Microspherules, And Platinum Anomaly Recorded In Multiple Cores From Baffin Bay, Christopher R. Moore, Vladimir A. Tselmovich, Malcolm A. Lecompte, Allen West, Stephen J. Culver, David J. Mallinson, Mohammed Baalousha M.Sc, Ph.D., James P. Kennett, William M. Napier, Michael Bizimis, Victor Adedeji, Seth R. Sutton, Gunther Kleteschka, Kurt A. Langworthy, Jesus P. Perez, Timothy Witwer, Marc D. Young, Jordan Jeffreys, Richard C. Greenwood, James A. Malley Aug 2025

A 12,800-Year-Old Layer With Cometary Dust, Microspherules, And Platinum Anomaly Recorded In Multiple Cores From Baffin Bay, Christopher R. Moore, Vladimir A. Tselmovich, Malcolm A. Lecompte, Allen West, Stephen J. Culver, David J. Mallinson, Mohammed Baalousha M.Sc, Ph.D., James P. Kennett, William M. Napier, Michael Bizimis, Victor Adedeji, Seth R. Sutton, Gunther Kleteschka, Kurt A. Langworthy, Jesus P. Perez, Timothy Witwer, Marc D. Young, Jordan Jeffreys, Richard C. Greenwood, James A. Malley

Faculty Publications

The Younger Dryas Impact Hypothesis (YDIH) posits that ~12,800 years ago Earth encountered the debris stream of a disintegrating comet, triggering hemisphere-wide airbursts, atmospheric dust loading, and the deposition of a distinctive suite of extraterrestrial (ET) impact proxies at the Younger Dryas Boundary (YDB). Until now, evidence supporting this hypothesis has come only from terrestrial sediment and ice-core records. Here we report the first discovery of similar impact-related proxies in ocean sediments from four marine cores in Baffin Bay that span the YDB layer at water depths of 0.5–2.4 km, minimizing the potential for modern contamination. Using scanning electron microscopy …


Absence Of Phonon Softening Across A Charge Density Wave Transition Due To Quantum Fluctuations, Yubi Chen, Terawit Kongruengkit, Andrea Capa Salinas, Runqing Yang, Yujie Quan, Fanghao Zhang, Ganesh Pokharel, Linus Kautzsch, Stephen D. Wilson, Sai Mu Aug 2025

Absence Of Phonon Softening Across A Charge Density Wave Transition Due To Quantum Fluctuations, Yubi Chen, Terawit Kongruengkit, Andrea Capa Salinas, Runqing Yang, Yujie Quan, Fanghao Zhang, Ganesh Pokharel, Linus Kautzsch, Stephen D. Wilson, Sai Mu

Faculty Publications

Kagome metals have emerged as a frontier in condensed matter physics due to their potential to host exotic quantum states. Among these, CsV3Sb5 has attracted significant attention for the unusual coexistence of charge density wave (CDW) order and unconventional superconductivity, presenting an ideal system for exploring the emergent phenomena from the interplay of phonons, electronic fluctuations, and topological effects. The nature of CDW formation in CsV3Sb5 is unconventional and has sparked considerable debate. In this study, we examine the origin of the CDW state via ab initio finite-temperature simulations of the lattice dynamics. Through a comparative study …


Expanded Genetic And Functional Diversity Of Oceanic Fungi, Xuefeng Peng, David L. Valentine Aug 2025

Expanded Genetic And Functional Diversity Of Oceanic Fungi, Xuefeng Peng, David L. Valentine

Faculty Publications

Background

Fungi are known members of marine microbiomes that can act as saprotrophs, parasites, and pathogens. Although a few studies utilizing cultivation-based methods and metabarcoding have been conducted, the diversity, ecological roles, and functional activities of fungi in the open ocean remain vastly underexplored. This gap in knowledge is particularly notable in oxygen minimum zones (OMZ) of the ocean, which have expanded over the past 50 years, affecting marine ecosystems and biogeochemical cycles. The eastern tropical North Pacific Ocean (ETNP) is the largest oxygen minimum zone where fungi have been implicated in the production of the potent greenhouse gas nitrous …


Sccosmix: A Mixed-Effects Framework For Differential Coexpression And Transcriptional Interactions Modeling In Single-Cell Rna-Seq, Anderson Bussing, Giampiero Marra, Daping Fan, Russell Shinohara, Danni Tu, Yen-Yi Ho Aug 2025

Sccosmix: A Mixed-Effects Framework For Differential Coexpression And Transcriptional Interactions Modeling In Single-Cell Rna-Seq, Anderson Bussing, Giampiero Marra, Daping Fan, Russell Shinohara, Danni Tu, Yen-Yi Ho

Faculty Publications

Advancements in single-cell RNA-sequencing (scRNA-seq) technologies generate a wealth of gene expression data that provide exciting opportunities for studying gene-gene interactions systematically at individual cell resolution. Genetic interactions within a cell are tightly regulated and often highly dynamic in response to internal cellular signals and external stimuli. Evidence of these dynamic interactions can often be observed in scRNA-seq data by examining conditional co-expression changes. Existing approaches for studying these dynamic interaction changes in scRNA-seq data do not address the multi-subject hierarchical design commonly considered in single-cell experiments. In this paper, we propose a Mixed-effects framework for differential Coexpression and transcriptional …


Non-Spectator Behavior Of A Neutral Phosphine Ligand Driven By A Redox-Active Boron Cluster, Jared R. Riffle, Cash L. Jowers, Sarah Luna, Mark D. Smith, Dmitry V. Peryshkov Jul 2025

Non-Spectator Behavior Of A Neutral Phosphine Ligand Driven By A Redox-Active Boron Cluster, Jared R. Riffle, Cash L. Jowers, Sarah Luna, Mark D. Smith, Dmitry V. Peryshkov

Faculty Publications

A new concept of ligand ambiphilicity that relies on the redox behavior of the indirectly coordinated boron cluster scaffold instead of the direct involvement of a single center in a ligand is introduced. A copper(I) complex of a carboranyl-based triphosphine, [tBuP-closo-{C2B10}-PhP-closo-{C2B10}-tBuP]CuPF6, in acetonitrile solution coordinates an exogenous X− anion (X− = Cl− or N3−) at the phosphorus center of the ligand and not at the cationic metal site to form [tBuP(X)-nido-{C2B …


Table Of Contents Jul 2025

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


A Study Of The Sequence Xn+2 = Xn + Imxn+1 Where X1 And X2 Are Orthogonal In C, Ryan Avallone, David Duncan, Ogul Duncan, Prashant Sansgiry Jul 2025

A Study Of The Sequence Xn+2 = Xn + Imxn+1 Where X1 And X2 Are Orthogonal In C, Ryan Avallone, David Duncan, Ogul Duncan, Prashant Sansgiry

Journal of the South Carolina Academy of Science

No abstract provided.


An Experimental Investigation Of Federal Messaging On Public Support For Enforcement- And Treatment-Based Approaches For Opioid Overdose Prevention In South Carolina, Lídia Gual-Gonzalez, Hunter M. Boehme, Peter Baker, Melissa Nolan Ph.D., Mph Jul 2025

An Experimental Investigation Of Federal Messaging On Public Support For Enforcement- And Treatment-Based Approaches For Opioid Overdose Prevention In South Carolina, Lídia Gual-Gonzalez, Hunter M. Boehme, Peter Baker, Melissa Nolan Ph.D., Mph

Faculty Publications

Background

As the opioid overdose crisis continues to produce excessive morbidity and mortality in the United States, government agencies have applied various approaches to prevent overdoses, including law-enforcement efforts (e.g., arresting people who use drugs, interrupting drug traffickers, etc.) and treatment-based approaches (e.g., naloxone, medications for opioid use disorder, etc.). Public perception and support of these approaches are relevant for informing policy, allocating resources, and effectively implementing community interventions to prevent drug-related harms.

Methods

Using an embedded informational survey design, we experimentally assessed whether public support for strategies to prevent overdose in South Carolina is influenced by language from federal …


Predicting Sleep And Sleep Stage In Children Using Actigraphy And Heartrate Via A Long Short-Term Memory Deep Learning Algorithm: A Performance Evaluation, Robert Weaver Med, Phd, James White, Olivia Finnegan, Hongpeng Yang, Zifei Zhong, Keagan Kiely, Catherine Jones, Yan Tong, Srihari Nelakuditi, Rahul Ghosal, David E. Brown, Russell R. Pate Ph.D., Gregory J. Welk, Massimiliano De Zambotti, Yuan Wang, Sarah Burkart, Elizabeth L. Adams Phd, Bridget Armstrong, Michael Beets Med, Mph, Phd Jul 2025

Predicting Sleep And Sleep Stage In Children Using Actigraphy And Heartrate Via A Long Short-Term Memory Deep Learning Algorithm: A Performance Evaluation, Robert Weaver Med, Phd, James White, Olivia Finnegan, Hongpeng Yang, Zifei Zhong, Keagan Kiely, Catherine Jones, Yan Tong, Srihari Nelakuditi, Rahul Ghosal, David E. Brown, Russell R. Pate Ph.D., Gregory J. Welk, Massimiliano De Zambotti, Yuan Wang, Sarah Burkart, Elizabeth L. Adams Phd, Bridget Armstrong, Michael Beets Med, Mph, Phd

Faculty Publications

Children's ambulatory sleep is commonly measured via actigraphy. However, traditional actigraphy measured sleep (e.g., Sadeh algorithm) struggles to predict wake (i.e., specificity, values typically < 70) and cannot predict sleep stages. Long short-term memory (LSTM) is a machine learning algorithm that may address these deficiencies. This study evaluated the agreement of LSTM sleep estimates from actigraphy and heartrate (HR) data with polysomnography (PSG). Children (N = 238, 5–12 years,52.8% male, 50% Black 31.9% White) participated in an overnight laboratory polysomnography. Participants were referred be-cause of suspected sleep disruptions. Children wore an ActiGraph GT9X accelerometer and two of three consumer wearables(i.e., Apple Watch Series 7, Fitbit Sense, Garmin Vivoactive 4) on their non-dominant wrist during the polysomnogram. LSTM estimated sleep versus wake and sleep stage (wake, not-REM, REM) using raw actigraphy and HR data for each 30-s epoch. Logistic regression and random forest were also estimated as a benchmark for performance with which to compare the LSTM results. A 10-fold cross-validation technique was employed, and confusion matrices were constructed. Sensitivity and specificity were calculated to assess the agreement between research-grade and consumer wearables with the criterion polysomnography. For sleep versus wake classification, LSTM outperformed logistic regression and random forest with accuracy ranging from 94.1to 95.1, sensitivity ranging from 94.9 to 95.9 across different devices, and specificity ranging from 84.5 to 89.6. The addition of HR improved the prediction of sleep stages but not binary sleep versus wake. LSTM is promising for predicting sleep and sleep staging from actigraphy data, and HR may improve sleep stage prediction.


How Multi-Scale Modeling Can Help Examine Social Determinants Of Health And Resulting Disparities, Kyoko Yoshida, Elsje Pienaar, Shalanda A. Bynum, Naomi Chesler, Mitchel J. Colebank, Jessie Heneghan, Nadra Tyus, Jasmine Miller-Kleinhenz, Bruce Y. Lee Jul 2025

How Multi-Scale Modeling Can Help Examine Social Determinants Of Health And Resulting Disparities, Kyoko Yoshida, Elsje Pienaar, Shalanda A. Bynum, Naomi Chesler, Mitchel J. Colebank, Jessie Heneghan, Nadra Tyus, Jasmine Miller-Kleinhenz, Bruce Y. Lee

Faculty Publications

Social determinants of health (SDOH) are the conditions in which people live, work, and play, and the wider set of factors (e.g., social and economic systems and policies) that shape a person’s daily life. SDOH can differ significantly across communities and populations, having positive impacts for some and negative impacts for others. Ultimately, this results in differences in health and disease distribution, that are known as health disparities. Despite the known impacts of SDOH and calls to characterize, address, reduce, and eliminate health disparities, they persist and, in some cases, have worsened. To address this challenge, a session at the …


Recent Insights Into Electrochemical Sensing Of Per- And Polyfluoroalkyl Substances, Christopher T. Lebarron, Pavithra Hosseini, Seyyedamirhossein Hosseini Jul 2025

Recent Insights Into Electrochemical Sensing Of Per- And Polyfluoroalkyl Substances, Christopher T. Lebarron, Pavithra Hosseini, Seyyedamirhossein Hosseini

Faculty Publications

Per- and polyfluoroalkyl substances (PFAS) are widely studied due to their persistence, prevalence, and harmful effects on human and environmental health. Key challenges include improving detection methodologies, such as lowering detection limits, and developing more sensitive and selective approaches. Given the ubiquity of PFAS, effective sensing must be paired with remediation strategies that transform these pollutants into value-added or less toxic products. This perspective explores recent advances in electrochemical PFAS detection, highlighting challenges and future opportunities.

 


Recent Insights Into Electrochemical Sensing Of Per- And Polyfluoroalkyl Substances, Christopher T. Lebarron, Pavithra Hosseini, Seyyedamirhossein Hosseini Jul 2025

Recent Insights Into Electrochemical Sensing Of Per- And Polyfluoroalkyl Substances, Christopher T. Lebarron, Pavithra Hosseini, Seyyedamirhossein Hosseini

Faculty Publications

Per- and polyfluoroalkyl substances (PFAS) are widely studied due to their persistence, prevalence, and harmful effects on human and environmental health. Key challenges include improving detection methodologies, such as lowering detection limits, and developing more sensitive and selective approaches. Given the ubiquity of PFAS, effective sensing must be paired with remediation strategies that transform these pollutants into value-added or less toxic products. This perspective explores recent advances in electrochemical PFAS detection, highlighting challenges and future opportunities.


Large Bandgap Observed On The Surfaces Of Euzn2As2 Single Crystals, Dejia Kong, Siavash Karbasizadeh, Ganesh Narasimha, Paras Regmi, Chenggang Tao, Chenggang Tao, Sai Mu, Rama Vasudevan, Ian Harrison, Rongying Jin, Zheng Gai Jul 2025

Large Bandgap Observed On The Surfaces Of Euzn2As2 Single Crystals, Dejia Kong, Siavash Karbasizadeh, Ganesh Narasimha, Paras Regmi, Chenggang Tao, Chenggang Tao, Sai Mu, Rama Vasudevan, Ian Harrison, Rongying Jin, Zheng Gai

Faculty Publications

EuZn2As2 (M = Zn, Cd, In, Sn etc.) is an excellent material system for studying magnetism-tuned topological properties. However, discrepancies exist between experimental data and theoretical calculations regarding the bulk and surface bandgaps. In this work, cleaved EuZn2As2 crystals are studied using scanning tunneling microscopy/spectroscopy and density functional theory calculations. Triangular-shaped defect-induced modifications in the local density of states help distinguish between Eu-terminated and AsZn-terminated surfaces. While large bandgaps ( ~1.5 eV at 77 K) are observed on both pristine surfaces, the bandgap size is found to be highly sensitive to local heterogeneity, tending …