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Full-Text Articles in Physical Sciences and Mathematics

Mean Flow And Dispersion In The Western Mediterranean Sea From Drifter Observations, Helga Huntley, James Turbett, A.D. Kirwan, Jr., Pierre-Marie Poulain Apr 2024

Mean Flow And Dispersion In The Western Mediterranean Sea From Drifter Observations, Helga Huntley, James Turbett, A.D. Kirwan, Jr., Pierre-Marie Poulain

Faculty Scholarship for the College of Science & Mathematics

Currents in the ocean distribute water masses and everything floating in them. To understand how fast the water (and its flotsam) travels and how effectively it mixes, we need to study the flow statistics. There are two types of measurements of ocean currents: Eulerian measurements that look at how the ocean velocities change at a stationary point on the Earth; and Lagrangian measurements that follow a water mass. Dispersion and mixing is generally best captured by Lagrangian measurements. At the submesoscale (~10-1 – 10 km), the observational tool of choice are drifters, or floating buoys, tethered to a drogue that …


Assessing The Usability And Feasibility Of Digital Assistant Tools For Direct Support Professionals: Participatory Design And Pilot-Testing, Patrice Dolhonde Tremoulet, Andrea Lobo, Christina A. Simmons, Ganesh Baliga, Matthew Brady Apr 2024

Assessing The Usability And Feasibility Of Digital Assistant Tools For Direct Support Professionals: Participatory Design And Pilot-Testing, Patrice Dolhonde Tremoulet, Andrea Lobo, Christina A. Simmons, Ganesh Baliga, Matthew Brady

Faculty Scholarship for the College of Science & Mathematics

Background: The United States is experiencing a direct support professional (DSP) crisis, with demand far exceeding supply. Although generating documentation is a critical responsibility, it is one of the most wearisome aspects of DSPs’ jobs. Technology that enables DSPs to log informal time-stamped notes throughout their shift could help reduce the burden of end-of-shift documentation and increase job satisfaction, which in turn could improve the quality of life of the individuals with intellectual and developmental disabilities (IDDs) whom DSPs support. However, DSPs, with varied ages, levels of education, and comfort using technology, are not likely to adopt tools that detract …


Novel Inhibitors To Mmpl3 Transporter Of Mycobacterium Tuberculosis By Structure-Based High-Throughput Virtual Screening And Molecular Dynamics Simulations, Hetanshi Choksi, Justin Carbone, Nicholas J. Paradis, Lucas Bennett, Candice Bui-Linh, Chun Wu Mar 2024

Novel Inhibitors To Mmpl3 Transporter Of Mycobacterium Tuberculosis By Structure-Based High-Throughput Virtual Screening And Molecular Dynamics Simulations, Hetanshi Choksi, Justin Carbone, Nicholas J. Paradis, Lucas Bennett, Candice Bui-Linh, Chun Wu

Faculty Scholarship for the College of Science & Mathematics

Tuberculosis (TB)-causing bacterium Mycobacterium tuberculosis (Mtb) utilizes mycolic acids for building the mycobacterial cell wall, which is critical in providing defense against external factors and resisting antibiotic action. MmpL3 is a secondary resistance nodulation division transporter that facilitates the coupled transport of mycolic acid precursor into the periplasm using the proton motive force, thus making it an attractive drug target for TB infection. In 2019, X-ray crystal structures of MmpL3 from M. smegmatis were solved with a promising inhibitor SQ109, which showed promise against drug-resistant TB in Phase II clinical trials. Still, there is a pressing need to discover more …


Harnessing The Synergy Of Fe And Co With Carbon Nanofibers For Enhanced Co, Kevin Arizapana, John Schossig, Michael Wildy, Daniel Weber, Akash Gandotra, Sumedha Jayaraman, Wanying Wei, Kai Xu, Lei Yu, Amos M Mugweru, Islam Mantawy, Cheng Zhang, Ping Lu Feb 2024

Harnessing The Synergy Of Fe And Co With Carbon Nanofibers For Enhanced Co, Kevin Arizapana, John Schossig, Michael Wildy, Daniel Weber, Akash Gandotra, Sumedha Jayaraman, Wanying Wei, Kai Xu, Lei Yu, Amos M Mugweru, Islam Mantawy, Cheng Zhang, Ping Lu

Faculty Scholarship for the College of Science & Mathematics

Amid growing concerns about climate change and energy sustainability, the need to create potent catalysts for the sequestration and conversion of CO2 to value-added chemicals is more critical than ever. This work describes the successful synthesis and profound potential of high-performance nanofiber catalysts, integrating earth-abundant iron (Fe) and cobalt (Co) as well as their alloy counterpart, FeCo, achieved through electrospinning and judicious thermal treatments. Systematic characterization using an array of advanced techniques, including SEM, TGA-DSC, ICP-MS, XRF, EDS, FTIR–ATR, XRD, and Raman spectroscopy, confirmed the integration and homogeneous distribution of Fe/Co elements in nanofibers and provided insights into their catalytic …


Computational Study Of Binding Of Oseltamivir To Neuraminidase Mutants Of Influenza A Virus, Muhammad Arba, Sri Wahyuli, Setyanto Tri Wahyudi, Amir Karton, Chun Wu Feb 2024

Computational Study Of Binding Of Oseltamivir To Neuraminidase Mutants Of Influenza A Virus, Muhammad Arba, Sri Wahyuli, Setyanto Tri Wahyudi, Amir Karton, Chun Wu

Faculty Scholarship for the College of Science & Mathematics

Oseltamivir (OTV), which targets the neuraminidase (NA) of Influenza A virus (IAV), has been reported to develop resistance. Here, we performed a computational study on the binding modes of OTV in the wild-type and popular mutants of IAV NA (E119A, E119D, E119G, H274Y, I117T, I117V, I117V-E119A, K150N, N294S, R292K, V116A, and Y252H). The Arg118, Glu119, Asp151, Arg152, Glu276, Arg292, and Arg371 were identified as crucial interacting residues with the drug. The energy decomposition analysis showed that with few exceptions, the dispersion interaction is the dominant interaction, followed by the charge-transfer and polarization interactions. The affinities for OTV were greatly reduced …


Protein And Polysaccharide-Based Optical Materials For Biomedical Applications., Gianna Riviello, Brendan Connor, Jake Mcbrearty, Gianna Rodriguez, Xiao Hu Feb 2024

Protein And Polysaccharide-Based Optical Materials For Biomedical Applications., Gianna Riviello, Brendan Connor, Jake Mcbrearty, Gianna Rodriguez, Xiao Hu

Faculty Scholarship for the College of Science & Mathematics

Recent advances in biomedical research, particularly in optical applications, have sparked a transformative movement towards replacing synthetic polymers with more biocompatible and sustainable alternatives. Most often made from plastics or glass, these materials ignite immune responses from the body, and their production is based on environmentally harsh oil-based processes. Biopolymers, including both polysaccharides and proteins, have emerged as a potential candidate for optical biomaterials due to their inherent biocompatibility, biodegradability, and sustainability, derived from their existence in nature and being recognized by the immune system. Current extraction and fabrication methods for these biomaterials, including thermal drawing, extrusion and printing, mold …


Electrochromic Polymers: From Electrodeposition To Hybrid Solid Devices, Haradou Sare, Dongmei Dong Jan 2024

Electrochromic Polymers: From Electrodeposition To Hybrid Solid Devices, Haradou Sare, Dongmei Dong

Faculty Scholarship for the College of Science & Mathematics

This paper reports on the linear colorimetric and electrochromic (EC) characteristics of electrodeposited polyaniline (PANI) films. This paper also investigates the infrared EC properties of acid-doped PANI films. The electrochemical polymerization method was employed to create a porous and thin PANI film layer onto PET-ITO substrates. This layer was capped with WO3 film to create a gel electrolyte sandwich structure that demonstrates the compatibility of PANI films with cathodic WO3 films in full devices. The electrodeposition of the film was fabricated by applying different voltages and time, with the optimal film quality achieved with the 1.7 V voltage and a …