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Using Vizient Database For Benchmarking Pulmonary Resection Outcomes, Anuj Shah, Duc T Nguyen, Swetha Mulpur, Sayali Kelkar, Ray K Chihara, Warren Naselsky, Edward A Graviss, Min P Kim Jul 2025

Using Vizient Database For Benchmarking Pulmonary Resection Outcomes, Anuj Shah, Duc T Nguyen, Swetha Mulpur, Sayali Kelkar, Ray K Chihara, Warren Naselsky, Edward A Graviss, Min P Kim

Faculty, Staff and Students Publications

Background: Benchmarking pulmonary resection outcomes is critical for the evaluation of hospital performance and enhancing the quality of patient care. Both the American College of Surgeons National Surgical Quality Improvement Program (NSQIP) and Society of Thoracic Surgeons General Thoracic Surgical Database (GTSD) provide outcomes after lung resection, but each database had its own limitations. We aimed to determine whether the Vizient database can be used to benchmark lung resection outcomes.

Methods: We performed a retrospective cohort analysis of pulmonary resection cases at a single institution using the Vizient dashboard and GTSD. We examined whether all pulmonary resections were captured and …


Total Aortic Arch Replacement Using The Thoraflex Hybrid Device: Evolution From Investigational To Federally Approved Use In The United States, Vicente Orozco-Sevilla, Joseph S Coselli, Susan Y Green, Veronica A Glover, Ricardo De Jesus Avendaño Garnica, Anna H Xue, Lauren K Barron, Marc R Moon Jul 2025

Total Aortic Arch Replacement Using The Thoraflex Hybrid Device: Evolution From Investigational To Federally Approved Use In The United States, Vicente Orozco-Sevilla, Joseph S Coselli, Susan Y Green, Veronica A Glover, Ricardo De Jesus Avendaño Garnica, Anna H Xue, Lauren K Barron, Marc R Moon

Faculty, Staff and Students Publications

Background: After the US Food and Drug Administration (FDA) approved the Thoraflex Hybrid device in April 2022, hybrid devices to facilitate total arch replacement (TAR) became commercially available in the United States. However, little is known about how the Thoraflex device has been used since then. We present our experience (2016-2025) with this device.

Methods: At our practice, 62 patients [median age, 65 (54-73) years] underwent frozen elephant trunk (FET) TAR with the Thoraflex device: 14 under an investigational device exemption (IDE) (2016-2018) and 48 after FDA approval (2022-2025). Both Ante-Flo (straight) and Plexus (branched) models were used.

Results: Patients …


Biotechnology Research Incubator For Teachers (Brite) Pilot Program: Advancing Technology Research Education For Secondary School Teachers, Zhongcheng Shi, Katherine A Harris, Alana D Newell, Michael Nguyen, Yuan Yao, Joel Sederstrom, Cynthia C Hallmark, Sherita Love, Fred A Pereira, Shixia Huang Jul 2025

Biotechnology Research Incubator For Teachers (Brite) Pilot Program: Advancing Technology Research Education For Secondary School Teachers, Zhongcheng Shi, Katherine A Harris, Alana D Newell, Michael Nguyen, Yuan Yao, Joel Sederstrom, Cynthia C Hallmark, Sherita Love, Fred A Pereira, Shixia Huang

Faculty, Staff and Students Publications

Introduction: Advanced technologies have transformed diagnostics and therapeutics, improving disease management. Secondary school educators play a vital role in fostering critical thinking, problem-solving, and inspiring students in science, technology, engineering, math, and medicine (STEMM) innovations. Comprehensive teacher training enhances education delivery and ensures long-term advancements in science education, empowering future generations.

Materials and methods: We launched the Biotechnology Research Incubator for Teachers (BRITE) pilot program to train secondary school teachers. This 3-week program immerses teachers in Advanced Technology Core facilities, providing hands-on experience with cutting-edge technologies, such as protein array technology, next-generation sequencing, and flow cytometry. It also offers collaborative …


The Eleventh Annual Meeting Of The Southeastern Association Of Shared Resources (Seasr) Nashville, Tn, Usa June 12-14, 2024, Jenny C Schafer, Lyra M Griffiths, Tania E Mesa, Deidre Daria, Daniel Kraushaar, Kristen V Massey, Edith M Sampson, Laura Fox-Goharioon, Laxminarayanan Krishnan, Stacie Woolard, Aaron Pitre Jul 2025

The Eleventh Annual Meeting Of The Southeastern Association Of Shared Resources (Seasr) Nashville, Tn, Usa June 12-14, 2024, Jenny C Schafer, Lyra M Griffiths, Tania E Mesa, Deidre Daria, Daniel Kraushaar, Kristen V Massey, Edith M Sampson, Laura Fox-Goharioon, Laxminarayanan Krishnan, Stacie Woolard, Aaron Pitre

Faculty, Staff and Students Publications

No abstract provided.


Single-Cell Transcriptomics Reveals Biomarker Heterogeneity Linked To Cdk4/6 Inhibitor Resistance In Breast Cancer Cell Lines, Ilenia Migliaccio, Martina Bonechi, Dario Romagnoli, Giulia Boccalini, Francesca Galardi, Cristina Guarducci, Agostina Nardone, Rachel Schiff, Laura Biganzoli, Luca Malorni, Matteo Benelli Jul 2025

Single-Cell Transcriptomics Reveals Biomarker Heterogeneity Linked To Cdk4/6 Inhibitor Resistance In Breast Cancer Cell Lines, Ilenia Migliaccio, Martina Bonechi, Dario Romagnoli, Giulia Boccalini, Francesca Galardi, Cristina Guarducci, Agostina Nardone, Rachel Schiff, Laura Biganzoli, Luca Malorni, Matteo Benelli

Faculty, Staff and Students Publications

Cyclin dependent kinases 4 and 6 inhibitors have brought great improvements in the treatment of luminal breast cancer, but resistance is a major clinical hurdle. Multiple biomarkers of resistance have been proposed, but none is currently utilized in clinical practice. By performing single-cell RNA sequencing of seven palbociclib-naïve luminal breast cancer cell lines and palbociclib-resistant derivatives, we show that established biomarkers and pathways related to CDK4/6i resistance present marked intra- and inter- cell-line heterogeneity. Transcriptional features of resistance could be already observed in naïve cells correlating with levels of sensitivity (IC50) to palbociclib. Resistant derivatives showed transcriptional clusters that significantly …


Community-Driven Stakeholder Engagement Strategies In Public Health Projects, Kelia N. Olughu Jul 2025

Community-Driven Stakeholder Engagement Strategies In Public Health Projects, Kelia N. Olughu

Harrisburg University Dissertations and Theses

Community-driven stakeholder engagement is vital for the success and sustainability of public health initiatives, yet its implementation is often hindered by significant challenges. This qualitative study explored the strategies, barriers, and lessons learned in stakeholder engagement within public health projects. Guided by Project Stakeholder Management from the PMBOK Guide and the Social-Ecological Model (SEM), this research conducted a thematic analysis of in-depth, semi-structured interviews with eleven public health professionals. The findings reveal that effective engagement strategies include early and continuous involvement, co-creation of solutions, and building on existing community trust. Key challenges identified were overcoming deep-seated community mistrust, navigating complex …


Women’S Empowerment And Household Decision-Making: The Role Of Socioeconomic Status In Indonesia, Irvel Christa Fabian, Rafa Fayza Afrizal Jul 2025

Women’S Empowerment And Household Decision-Making: The Role Of Socioeconomic Status In Indonesia, Irvel Christa Fabian, Rafa Fayza Afrizal

Jurnal Ekonomi Kependudukan dan Keluarga

Understanding how women's economic, educational, and social positions influence their roles and choices within households is crucial for promoting gender equality and sustainable development. Despite significant advancements in women's rights and gender equality globally, women in Indonesia continue to face substantial barriers in achieving true empowerment. These barriers are particularly evident in domestic settings, where traditional gender roles often persist, limiting women's influence in household decisions. This research aims to investigate the relationship between women's socioeconomic status and their empowerment in domestic decision-making, examining how various factors such as income, education, and employment status contribute to or hinder their ability …


Determinan Kesejahteraan Anak Usia Dini Dalam Keluarga Dengan Kepala Rumah Tangga Perempuan Di Indonesia, Axellina M. Setyanti, Wildan Syafitri Jul 2025

Determinan Kesejahteraan Anak Usia Dini Dalam Keluarga Dengan Kepala Rumah Tangga Perempuan Di Indonesia, Axellina M. Setyanti, Wildan Syafitri

Jurnal Ekonomi Kependudukan dan Keluarga

This study analyzes the determinants of early childhood well-being in female-headed households in Indonesia using data from the 2022 National Socioeconomic Survey (SUSENAS), covering 85,074 households with children aged 0–5 years. Using binary logistic regression, the analysis focuses on four key indicators: complete immunization, food adequacy, access to improved sanitation, and access to safe drinking water. The results show that children in female-headed households are significantly less likely to receive adequate and diverse food as well as complete immunization, compared to those in male-headed households. However, these households are more likely to provide access to improved sanitation and safe drinking …


Kemiskinan Multidimensi Dan Ketahanan Pangan: Analisis Multilevel Di Kalimantan, Lina Agustina Pujiwati, Afriyanni Afriyanni, Dewi Harfina, Zainal Fatoni Jul 2025

Kemiskinan Multidimensi Dan Ketahanan Pangan: Analisis Multilevel Di Kalimantan, Lina Agustina Pujiwati, Afriyanni Afriyanni, Dewi Harfina, Zainal Fatoni

Jurnal Ekonomi Kependudukan dan Keluarga

Food security is a crucial issue for sustainable development and is highly influenced by multidimensional poverty. This study measures food security and multidimensional poverty in Kalimantan Island, analyzes the determinants of household food security through a multilevel approach, and explores the influence of multidimensional poverty and regional context on food security. Data were obtained from the March 2022 National Socio-Economic Survey, comprising 33,201 households and integrated with district-level characteristics. Multidimensional poverty was measured using the Alkire-Foster method, while food security was measured based on energy consumption and the proportion of food expenditure. A multilevel ordinal logistic regression was employed to …


Side-Hustle Dalam Dinamika Kemiskinan Pekerja: Tinjauan Empiris Di Indonesia, Christiayu Natalia, Fx Gugus Febri Putranto Jul 2025

Side-Hustle Dalam Dinamika Kemiskinan Pekerja: Tinjauan Empiris Di Indonesia, Christiayu Natalia, Fx Gugus Febri Putranto

Jurnal Ekonomi Kependudukan dan Keluarga

Working poverty remains a persistent issue in Indonesia. The high prevalence of working poor underscores the urgent need for effective poverty alleviation efforts. This study analyzes the relationship between side hustles, excessive working hours, and working poverty in Indonesia. Utilizing microdata from the March 2023 Susenas and applying binary logistic regression, the study assesses the effect of side hustle status and excessive working hours on the likelihood of being categorized as working poor, based on the international working poverty line. The results indicate that engaging in a side hustle without excessive hours actually increases the risk of working poverty, while …


Unpaid Parental Caregiving And Employment Status In Indonesia, Christopher Willy, Rafa Fayza Afrizal, Irvel Christa Fabian, Muhammad Farras Samith Jul 2025

Unpaid Parental Caregiving And Employment Status In Indonesia, Christopher Willy, Rafa Fayza Afrizal, Irvel Christa Fabian, Muhammad Farras Samith

Jurnal Ekonomi Kependudukan dan Keluarga

This study examines the impact of unpaid parental caregiving on employment status and formal sector employment opportunities in Indonesia, using panel data from the 2007 and 2014 waves of the Indonesia Family Life Survey (IFLS). Propensity Score Matching (PSM) was applied to mitigate selection bias and estimate the Average Treatment effect on the Treated (ATT) for three caregiver categories: temporary, recent, and continuous. Results indicate that, after controlling for baseline characteristics, none of the caregiver categories significantly affected the probability of being employed or employed in the formal sector in 2014. The findings suggest that caregiving practices in Indonesia generally …


Burnout Of Physical Therapist: Impact Of Agitated Behaviors In The Traumatic Brain Injury Population, Francine Sage-King Jul 2025

Burnout Of Physical Therapist: Impact Of Agitated Behaviors In The Traumatic Brain Injury Population, Francine Sage-King

Seton Hall University Dissertations and Theses (ETDs)

The purpose of this study was to investigate the impact patient agitation post traumatic brain injury (TBI) has on physical therapist burnout and the factors that contribute to its presence. Therefore, the following research questions were posed: 1) What is the prevalence of burnout among physical therapists (PTs) providing direct patient care for patients with post-TBI agitation? 2) Is there a relationship between clinical setting and 3) percentage of direct patient care and PT burnout? 4) How do scores of resilience differ between those that do and do not have burnout? And 5) What work system factors do PTs working …


The Day I Unlearned Everything I Thought I Knew About Yoga, Essraa Nawar Jul 2025

The Day I Unlearned Everything I Thought I Knew About Yoga, Essraa Nawar

Library Articles and Research

"For years, I thought yoga wasn’t meant for someone like me. I believed it belonged to a certain body type, a certain lifestyle, a certain image that didn’t reflect my own. As a visibly Muslim woman, I rarely saw anyone who looked like me in yoga spaces — let alone leading or being celebrated in them. That first class at Shaanti changed everything. It was inclusive. Grounding. Free of mirrors, expectations, and ego. I finally saw that yoga wasn’t about bending into shapes — it was about returning to myself."


Analyzing High-Risk Fertility Behavior For Sustainable Maternal-Child Health: A 2017 Sociodemographic Study In Urban And Rural Indonesia, Asti Annisa Utami, Fadhaa Aditya Kautsar Murti, Popy Yuniar, Milla Herdayati Jul 2025

Analyzing High-Risk Fertility Behavior For Sustainable Maternal-Child Health: A 2017 Sociodemographic Study In Urban And Rural Indonesia, Asti Annisa Utami, Fadhaa Aditya Kautsar Murti, Popy Yuniar, Milla Herdayati

Kesmas

Indonesia's goal of achieving Indonesia Emas 2045 hinges on improving Maternal-Child Health (MCH), essential for building a healthy and competitive population. Despite some advancements, the Maternal Mortality Rate (MMR) and Under-five Mortality Rate (U5MR) remain high, particularly because of High-Risk Fertility Behavior (HRFB). The HRFB poses significant risks to MCH, affecting both urban and rural women. This study aimed to identify the factors associated with HRFB in these areas to enhance MCH outcomes and support Indonesia's sustainable health goals. This cross-sectional study used a secondary dataset from the 2017 Indonesian Demographic Health Survey. A total of 20,530 women of reproductive …


Associated Factors In Willingness To Shift Tobacco Expenditure Into National Health Insurance Premium Among Subsidized Members, Mugi Wahidin, Muhammad Agus Mikrajab, Rozana Ika Agustiya, Veza Azteria Jul 2025

Associated Factors In Willingness To Shift Tobacco Expenditure Into National Health Insurance Premium Among Subsidized Members, Mugi Wahidin, Muhammad Agus Mikrajab, Rozana Ika Agustiya, Veza Azteria

Kesmas

In Indonesia, subsidized members are the largest group in the National Health Insurance program. Hence, it is essential to understand their ability to pay (ATP) based on tobacco expenditure. This study aimed to determine the ATP of subsidized members based on tobacco expenditure and factors associated with their willingness to pay (WTP). This cross-sectional study used secondary data from the National Institute of Health Research and Development. The population included all subsidized members; 19,918 were sampled for ATP, and 14,560 were WTP. The independent t-test, ANOVA, and logistic regression were performed. Results showed that ATP from tobacco expenditure ranged from …


Determinants Of School Health Unit Program Implementation In Junior High Schools Of Boyolali District, Indonesia, Ayu Khoirotul Umaroh, Noor Alis Setiyadi, Kusuma Estu Werdani, Tanjung Anitasari Indah Kusumaningrum, Purwo Setiyo Nugroho Jul 2025

Determinants Of School Health Unit Program Implementation In Junior High Schools Of Boyolali District, Indonesia, Ayu Khoirotul Umaroh, Noor Alis Setiyadi, Kusuma Estu Werdani, Tanjung Anitasari Indah Kusumaningrum, Purwo Setiyo Nugroho

Kesmas

Adolescent health problems such as stunting, attempted suicide, and tobacco use in Indonesia require attention. To address these challenges, the School Health Unit Program, a school-based health initiative, aims to improve student health and academic achievement. This study examined the relationship between human resources, teachers’ knowledge, facilities and infrastructure, financial resources, and the planning process for implementing the School Health Unit Program in junior high schools in Boyolali District, Indonesia. A cross-sectional design was utilized, involving 50 junior high school teachers responsible for the School Health Unit as respondents, with data collected through structured questionnaires. Multivariate logistic regression analysis revealed …


Google Review Analysis Of “Duta We Care” Excellent Service As A Featured Service At A Central General Hospital In Padang, Alfitri Alfitri, Ricvan Dana Nindrea, Adek Setiawan, Elsa Yuniarti Jul 2025

Google Review Analysis Of “Duta We Care” Excellent Service As A Featured Service At A Central General Hospital In Padang, Alfitri Alfitri, Ricvan Dana Nindrea, Adek Setiawan, Elsa Yuniarti

Kesmas

Improving healthcare service quality required both technical and interpersonal enhancements through a personalized approach, as demonstrated by the “Duta We Care” program at a Central General Hospital in Padang. This study aimed to evaluate the program’s effectiveness by analyzing patient feedback from Google Reviews. A descriptive quantitative design examined 2,035 patient reviews from March 2013 to June 2024. Using NVivo 12 software, the data analysis generated word clouds. The results showed that 68.20% of reviews received a 5-star rating, 9.48% a 4-star rating, 4.35% a 3-star rating, 2.27% a 2-star rating, and 15.70% a 1-star rating. Words like “friendly,” “professional,” …


Socioeconomic Status, Environmental Health Knowledge, And Housewives’ Behavior In Maintaining Healthy Housing At Subsidized Flats In East Jakarta, Indonesia, Alfitra Firizkia Luthfiana Dewi, Laila Fitria Jul 2025

Socioeconomic Status, Environmental Health Knowledge, And Housewives’ Behavior In Maintaining Healthy Housing At Subsidized Flats In East Jakarta, Indonesia, Alfitra Firizkia Luthfiana Dewi, Laila Fitria

Kesmas

Healthy behavior among housewives is a crucial aspect of efforts to maintain healthy housing. This study aimed to analyze the relationship of socioeconomic status (e.g., household income, level of education of family head and housewives, and family head’s occupation) and environmental health knowledge with housewives’ behavior (e.g., vector control, waste management, home ventilation, cigarette smoking, and hand sanitation hygiene) in maintaining healthy housing in the subsidized flats in East Jakarta, Indonesia. This cross-sectional study employed the two-proportion hypothesis test formula and a simple random sampling method, recruiting 137 housewives for interviews. Data were analyzed via logistic regression to determine factors …


Community-Based Intervention For Type 2 Diabetes Management In Developing Countries: A Systematic Review, Lutfian Lutfian, Izdihar Javier Wardika, Aufa Azizah, Fahmi Wildana, Yusti Muzdalifa Taplo, Riki Wartakusumah Jul 2025

Community-Based Intervention For Type 2 Diabetes Management In Developing Countries: A Systematic Review, Lutfian Lutfian, Izdihar Javier Wardika, Aufa Azizah, Fahmi Wildana, Yusti Muzdalifa Taplo, Riki Wartakusumah

Jurnal Keperawatan Indonesia

Type 2 Diabetes Mellitus (T2DM) poses a significant public health challenge, especially in developing countries with limited healthcare resources. There is a critical need for community-based interventions (CBIs) to promote healthy lifestyles for individuals with T2DM. This study explores CBIs to improve health behavior among T2DM patients in developing countries. It systematically reviews articles from PubMed, Scopus, CENTRAL, and CINAHL databases. The search strategy employed specific keywords following the PRISMA Extension for Systematic Reviews. The quality of the included articles was appraised using the Joanna Briggs Institute (JBI). A narrative synthesis summarized the key findings across the selected articles. The …


From Disappointment To Predominance: Medicare Advantage's Ascendancy And Transformation Of Medicare, Rick Mayes, Micah Johnson Jul 2025

From Disappointment To Predominance: Medicare Advantage's Ascendancy And Transformation Of Medicare, Rick Mayes, Micah Johnson

Health Studies Faculty Publications

From 2004 to 2024, Medicare Advantage (MA) went from being a “policy disappointment,” covering 12% of all Medicare beneficiaries, to predominance, covering more than one-half (52%), with more growth predicted in the future. Drawing on an extensive review and synthesis of the literature, Medicare Payment Advisory Commission (MedPAC) reports, congressional committee hearings, and Centers for Medicare and Medicaid Services (CMS) data, this paper analyzes the evolution of Medicare and managed care in three parts. First, it briefly traces the early efforts to build an integrated managed care option to the traditional, fragmented fee-for-service Medicare program and highlights four key changes …


Tribology Of Textured Surfaces, Min Zou, Mahyar Afshar-Mohajer, Robert A. Fleming Jul 2025

Tribology Of Textured Surfaces, Min Zou, Mahyar Afshar-Mohajer, Robert A. Fleming

Mechanical Engineering Faculty Publications and Presentations

Surface texturing has emerged as a transformative approach to improving friction, lubrication, and wear across a wide range of mechanical components. From bio-inspired micro-dimples to engineered macro-grooves, texture designs are increasingly applied in biomedical implants, bearings, seals, and automotive systems. This Special Issue, “Tribology of Textured Surfaces,” compiles 14 papers that collectively cover fabrication techniques, multi-scale optimization, predictive modeling, and diverse application areas.   The following sections summarize the major themes of this Special Issue. Section 2 reviews the fabrication techniques and texture scales addressed by the authors. Section 3 examines modeling and numerical studies, while Section 4 categorizes the work …


The Influence Of Rhodolith Algae On Life History Of The Painted Urchin, Lytechinus Pictus, Celine X. De Jong Jul 2025

The Influence Of Rhodolith Algae On Life History Of The Painted Urchin, Lytechinus Pictus, Celine X. De Jong

Master's Theses

Rhodolith beds are globally distributed hotspots of diversity and productivity and serve as nursery habitats for some marine invertebrates. Poorly understood is whether rhodolith beds are nurseries because invertebrate larvae actively select them for settlement or migrate to them at later life stages. We studied the nursery role of rhodolith beds for the painted urchin, Lytechinus pictus at Santa Catalina Island, CA, USA. Subtidal surveys showed that in areas with greater live rhodolith cover, urchin density increased as well as mean urchin size. In caged substrate choice experiments, urchins selected rhodolith substrate relative to carbonate sand, supporting the notion that …


Developing A Computational Pipeline For Microstructure-Based Modelling With Exaca And Evpfft, Lizzy Beall, Eric Collins, Jacob Moore Jul 2025

Developing A Computational Pipeline For Microstructure-Based Modelling With Exaca And Evpfft, Lizzy Beall, Eric Collins, Jacob Moore

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

The microstructure of a metal determines its properties and by understanding the grains that make up that structure, we can predict the behavior of that material. However, it can be difficult and costly to view the microstructure of a metal, especially since the microstructure is highly dependent on the manufacturing history of the part. By computer generating the microstructure of a material, we can better understand its properties. Exascale Cellular Automata (ExaCA) can generate a microstructure for a metal sample given its thermal history and Elasto-Visco Plastic Fast Fourier Transforms (EVPFFT) can model the response of the crystals in a …


Virtual Screening Of Peptides That Can Prevent Insulin Aggregation, Thanh Tien Dao, Bidisha Sengupta, Steven Gwaltney Jul 2025

Virtual Screening Of Peptides That Can Prevent Insulin Aggregation, Thanh Tien Dao, Bidisha Sengupta, Steven Gwaltney

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

Diabetes is a growing health concern, with almost 3% of the population of the United States using insulin injections to control blood sugar levels. Insulin is prone to aggregation during storage and injection. The toxic products of aggregation can cause an increase in the required dosage to achieve the desired therapeutic effect. The driving intermediate of aggregation is believed to be a partially folded insulin, derived from the insulin monomer. We hypothesize that stabilizing the insulin monomer with a peptide may prevent this unfolding process and subsequent aggregation. However, the space of all possible peptides is impossibly large to study …


Developing A Neural Network For Prediction Of Interatomic Energies In Iron-Manganese Alloys, Robert D. H. Race, Doyl Dickel, Hala Ben Messaoud Jul 2025

Developing A Neural Network For Prediction Of Interatomic Energies In Iron-Manganese Alloys, Robert D. H. Race, Doyl Dickel, Hala Ben Messaoud

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

Machine-learned interatomic potentials (ML IAP) for alloy systems have been sought after due to their ability to reduce experimentation costs and time, accelerating alloy development and discovery. However, the explicit inclusion of magnetism in these potentials has been both a difficult and important problem to solve, due to the complexity of spin-lattice dynamics and its significance in the properties of magnetic alloys. We present here the development of an explicitly magnetic Fe-Mn ML IAP using a physics informed neural network (PINN) extension of the rapid artificial neural network (RANN) formalism. It is shown that the potential is capable of reproducing …


Computational Investigation Of Substituent Effects On Zirconium Pincer Complexes Via Density Functional Theory Methods, Anna Constable, Garrett M. Wells, Samuel D. Juarez Escamilla, Thedford K. Hollis, Charles Edwin Webster Jul 2025

Computational Investigation Of Substituent Effects On Zirconium Pincer Complexes Via Density Functional Theory Methods, Anna Constable, Garrett M. Wells, Samuel D. Juarez Escamilla, Thedford K. Hollis, Charles Edwin Webster

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

Organic light-emitting diodes (OLEDs) have emerged as a promising technology for displays due to their high efficiency and superior color performance. The primary objective of this study was to investigate the tunability of zirconium carbene "pincer" complexes for potential use in OLED applications. Specifically, we aim to understand how changes in coordinated ligands and their substituents influence the electronic structure and spectral properties. A series of computational tests were conducted using density functional theory (DFT) to optimize the ground-state geometries and time-dependent density functional theory (TD-DFT) to optimize the excited-state geometries. TD-DFT calculations are also used to predict absorption and …


Investigating The Defect Behavior And Electronic Properties Of Formamidinium Lead Bromide Perovskite Through Machine Learned Interatomic Potentials, Rachel Lee, John Michael Lane, Woodrow Wilson, Neeraj Rai Jul 2025

Investigating The Defect Behavior And Electronic Properties Of Formamidinium Lead Bromide Perovskite Through Machine Learned Interatomic Potentials, Rachel Lee, John Michael Lane, Woodrow Wilson, Neeraj Rai

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

Formamidinium lead bromide (FAPbBr3) perovskite crystals display promising optoelectronic properties, making them attractive materials for solar cells, light-emitting diodes, and photoelectrochemical devices. In this study, computational methods are applied to investigate the effects of point defects—vacancies, interstitials, Frenkel, and Schottky—on the electronic structure of FAPbBr3 bulk and nanoplatelet crystals. Traditional computational methods, such as density functional theory (DFT), are computationally expensive and thus limited to small systems and short time scales. To characterize and simulate larger systems over longer time periods at reduced computational costs, machine learned interatomic potentials (MLIPs) are developed with MACE, a message passing neural network. The …


Anomaly Detection In Material Images Using Scan Statistics, Kaitlyn Anderson, Asanka Duwage, Tung-Lung Wu Jul 2025

Anomaly Detection In Material Images Using Scan Statistics, Kaitlyn Anderson, Asanka Duwage, Tung-Lung Wu

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

Nanoproducts are a growing sector due to their unique properties and wide range of applications across industries.  However, nanomaterial production is a complex process that requires a high degree of precision, making it challenging to ensure consistent quality at a large scale. Minor defects can significantly alter their functional properties and overall performance, making accurate detection of defects crucial for maintaining and controlling nanomaterial properties. To address these challenges, this project applies scan statistics to detect localized defects in scanning election microscope images of nanofibrous materials. We implemented both square and circular scanning windows of varying sizes to identify clusters …


Finite Element Methods With Anderson Acceleration And Its Application To Image Denoising, Amanda E. Diegel, Spence Hanegan, Hyeona Lim, Hoang Tran Jul 2025

Finite Element Methods With Anderson Acceleration And Its Application To Image Denoising, Amanda E. Diegel, Spence Hanegan, Hyeona Lim, Hoang Tran

Research Experiences for Undergraduates in Computational Methods with Applications in Materials Science

Image denoising is an important computational tool with applications in the medical, material science, and defense fields where CT-scans have a lot of noise that degrades quality and clearness. While there are several methods of solving image denoising problems, the one we focused on is total variation where we solve a difficult nonlinear partial differential equation that minimizes noise. There are also many numerical methods to find an approximate solution to this nonlinear partial differential equation, but the one we focus on is the finite element method. In addition, we used a fixed-point iteration method to handle the nonlinearity and …


Genome Sequences For Nine Streptococcus Anginosus Strains Isolated From Female Urogenital Samples, Helen Appleberry, Olive Kolar, Saad Ahmed, Omar Al Khalili, Inga Astrauskas, Adel Choubkha, Abraham Dulli, Anna Gamal, Elina Greljo, Samiah Iqbal, Neelesh Kanduri, Adam Kawamleh, Emma Kress, Walter Mccain, Sophia Meza, Madison Mikolaitis, Amal Naqvi, Emily Ngo, Jackie Ostiguin, Vedant Patel, Alan J. Wolfe, Catherine Putonti, Alex Kula Jul 2025

Genome Sequences For Nine Streptococcus Anginosus Strains Isolated From Female Urogenital Samples, Helen Appleberry, Olive Kolar, Saad Ahmed, Omar Al Khalili, Inga Astrauskas, Adel Choubkha, Abraham Dulli, Anna Gamal, Elina Greljo, Samiah Iqbal, Neelesh Kanduri, Adam Kawamleh, Emma Kress, Walter Mccain, Sophia Meza, Madison Mikolaitis, Amal Naqvi, Emily Ngo, Jackie Ostiguin, Vedant Patel, Alan J. Wolfe, Catherine Putonti, Alex Kula

Biology: Faculty Publications and Other Works

Streptococcus anginosus is a common inhabitant of the female urinary tract. Comparative genomics suggests that strains from female urogenital samples are distinct from S. anginosus strains isolated from other anatomical sites. Here, we present three complete and six draft genome assemblies of S. anginosus isolated from urine, vaginal swabs, and a perineal swab.