Physical Sciences and Mathematics Commons^™

Symmetry-Resolved Co Desorption And Oxidation Dynamics On O/Ru(0001) Probed At The C K-Edge By Ultrafast X-Ray Spectroscopy, Jerry Larue, Boyang Liu, Gabriel L. S. Rodrigues, Chang Liu, Jose Antonio Garrido Torres, Simon Schreck, Elias Diesen, Matthew Weston, Hirohito Ogasawara, Fivos Perakis, Martina Dell'angela, Flavio Capotondi, Devon Ball, Conner Carnahan, Gary Zeri, Luca Giannessi, Emanuele Pedersoli, Denys Naumenko, Peter Amann, Ivaylo Nikolov, Lorenzo Raimondi, Carlo Spezzani, Martin Beye, Johannes Voss, Hsin-Yi Wang, Filippo Cavalca, Jörgen Gladh, Sergey Koroidov, Frank Abild-Pedersen, Manuel Kolb, Piter S. Miedema, Roberto Costantini, Tony F. Heinz, Alan C. Luntz, Lars G. M. Pettersson, Anders Nilsson

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We report on carbon monoxide desorption and oxidation induced by 400 nm femtosecond laser excitation on the O/Ru(0001) surface probed by time-resolved x-ray absorption spectroscopy (TR-XAS) at the carbon K-edge. The experiments were performed under constant background pressures of CO (6 × 10⁻⁸ Torr) and O2 (3 × 10⁻⁸ Torr). Under these conditions, we detect two transient CO species with narrow 2π* peaks, suggesting little 2π* interaction with the surface. Based on polarization measurements, we find that these two species have opposing orientations: (1) CO favoring a more perpendicular orientation and (2) CO favoring a more parallel orientation …

Measurement Of The Mass Dependence Of The Transverse Momentum Of Lepton Pairs In Drell–Yan Production In Proton–Proton Collisions At √S = 13tev, A. Tumasyan

Department of Physics and Astronomy: Faculty Publications

The double differential cross sections of the Drell–Yan lepton pair (ℓ ⁺ ℓ ⁻, dielectron or dimuon) production are measured as functions of the invariant mass m_ℓℓ, transverse momentum p_T(ℓℓ), and ϕ^∗_η. The ϕ^∗_η observable, derived from angular measurements of the leptons and highly correlated with p_T(ℓℓ), is used to probe the low-p_T(ℓℓ) region in a complementary way. Dilepton masses up to 1 TeV are investigated. Additionally, a measurement is performed requiring at least one jet in the final state. To benefit from partial cancellation …

Drivers Of Pb, Sb And As Release From Spent Gunshot In Wetlands: Enhancement By Organic Matter And Native Microorganisms, Anna Potysz, Łukasz J. Binkowski, Jakub Kierczak, Barnett A. Rattner

United States Geological Survey: Staff Publications

In many countries the use of lead-based ammunition is prevalent, and results in exposure and poisoning of waterfowl and other species of birds. In waterfowl hunting areas large quantities of spent shot may be deposited in wetland and terrestrial habitats. These pellets can undergo transformations, which are influenced by various abiotic and biotic factors. In addition to lead (Pb), other elements like antimony (Sb) and arsenic (As) can be leached from Pb shot into the environment. In vitro simulations that included organic matter and microorganisms were utilized to examine elemental leaching from gunshot. We found that leaching efficiency was the …

Detecting High-Risk Factors And Early Diagnosis Of Diabetes Using Machine Learning Methods, Zahid Ullah, Farrukh Saleem, Mona Jamjoom, Bahjat Fakieh, Faris Kateb, Abdullah Marish Ali, Babar Shah

All Works

Diabetes is a chronic disease that can cause several forms of chronic damage to the human body, including heart problems, kidney failure, depression, eye damage, and nerve damage. There are several risk factors involved in causing this disease, with some of the most common being obesity, age, insulin resistance, and hypertension. Therefore, early detection of these risk factors is vital in helping patients reverse diabetes from the early stage to live healthy lives. Machine learning (ML) is a useful tool that can easily detect diabetes from several risk factors and, based on the findings, provide a decision-based model that can …

Probing Mechanisms Of Binding And Allostery In The Sars-Cov-2 Spike Omicron Variant Complexes With The Host Receptor: Revealing Functional Roles Of The Binding Hotspots In Mediating Epistatic Effects And Communication With Allosteric Pockets, Gennady M. Verkhivker, Steve Agajanian, Ryan Kassab, Keerthi Krishnan

Mathematics, Physics, and Computer Science Faculty Articles and Research

In this study, we performed all-atom MD simulations of RBD–ACE2 complexes for BA.1, BA.1.1, BA.2, and BA.3 Omicron subvariants, conducted a systematic mutational scanning of the RBD–ACE2 binding interfaces and analysis of electrostatic effects. The binding free energy computations of the Omicron RBD–ACE2 complexes and comprehensive examination of the electrostatic interactions quantify the driving forces of binding and provide new insights into energetic mechanisms underlying evolutionary differences between Omicron variants. A systematic mutational scanning of the RBD residues determines the protein stability centers and binding energy hotpots in the Omicron RBD–ACE2 complexes. By employing the ensemble-based global network analysis, we …

A Question Of Fundamental Methodology: Reply To Mikhail Katz And His Coauthors, Tom Archibald, Richard T. W. Arthur, Giovanni Ferraro, Jeremy Gray, Douglas Jesseph, Jesper Lützen, Marco Panza, David Rabouin, Gert Schubring

Philosophy Faculty Articles and Research

This paper is a response by several historians of mathematics to a series of papers published from 2012 onwards by Mikhail Katz and various co-authors, the latest of which was recently published in the Mathematical Intelligencer, “Two-Track Depictions of Leibniz’s Fictions” (Katz, Kuhlemann, Sherry, Ugaglia, and van Atten, 2021). At issue is a question of fundamental methodology. These authors take for granted that non-standard analysis provides the correct framework for historical interpretation of the calculus, and castigate rival interpretations as having had a deleterious effect on the philosophy, practice, and applications of mathematics. Rather than make this case by reasoned …

2022 Final Insufficiently Reclaimed Sites Quality Assurance Project Plan (Qapp), Pioneer Technical Services, Inc.

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Final Revised Butte Reduction Works (Brw) Phase I Quality Assurance Project Plan (Qapp), Pioneer Technical Services, Inc.

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Mgrre_Thinsections_05_A_34, Mgrre

Thin Sections

No abstract provided.

Toward Mental Effort Measurement Using Electrodermal Activity Features, William Romine, Noah Schroeder, Tanvi Banerjee, Josephine Graft

Computer Science and Engineering Faculty Publications

The ability to monitor mental effort during a task using a wearable sensor may improve productivity for both work and study. The use of the electrodermal activity (EDA) signal for tracking mental effort is an emerging area of research. Through analysis of over 92 h of data collected with the Empatica E4 on a single participant across 91 different activities, we report on the efficacy of using EDA features getting at signal intensity, signal dispersion, and peak intensity for prediction of the participant's self-reported mental effort. We implemented the logistic regression algorithm as an interpretable machine learning approach and found …

Cascon 2022, College Of Arts & Sciences

SHU Faculty Publications

CASCon showcases the work of Sacred Heart University faculty from multiple disciplines. The conference emphasizes the interdisciplinary nature of faculty scholarship and reaffirms the College’s commitment to undergraduate research.

6th Annual College of Arts & Sciences Conference (CASCon) on Wednesday, September 28, 2022.

Improving Pneumonia Classification And Lesion Detection Using Spatial Attention Superposition And Multilayer Feature Fusion, Kang Li, Fengbo Zheng, Panpan Wu, Qiuyuan Wang, Gongbo Liang, Lifen Jiang

Computer Science Faculty Publications

Pneumonia is a severe inflammation of the lung that could cause serious complications. Chest X-rays (CXRs) are commonly used to make a diagnosis of pneumonia. In this paper, we propose a deep-learning-based method with spatial attention superposition (SAS) and multilayer feature fusion (MFF) to facilitate pneumonia diagnosis based on CXRs. Specifically, an SAS module, which takes advantage of the channel and spatial attention mechanisms, was designed to identify intrinsic imaging features of pneumonia-related lesions and their locations, and an MFF module was designed to harmonize disparate features from different channels and emphasize important information. These two modules were concatenated to …

Limits To Coseismic Landslides Triggered By Cascadia Subduction Zone Earthquakes, Alex R.R. Grant, William T. Struble, Sean R. Lahusen

United States Geological Survey: Staff Publications

Landslides are a significant hazard and dominant feature throughout the landscape of the Pacific Northwest. However, the hazard and risk posed by coseismic landslides triggered by great Cascadia Subduction Zone (CSZ) earthquakes is highly uncertain due to a lack of local and global data. Despite a wealth of other geologic evidence for past earthquakes on the Cascadia Subduction Zone, no landslides have been definitively linked to such earthquakes, even in areas otherwise highly susceptible to failure. While shallow landslides may not leave a lasting topographical signature in the landscape, there are thousands of deep-seated landslides in Cascadia, and these deposits …

Biogeochemical Responses To Mixing Of Glacial Meltwater And Hot Spring Discharge In The Mount St. Helens Crater, Ashley Dubnick, Q. Faber, J. R. Hawkings, N. Bramall, B. C. Christner, Peter T. Doran, Jay Nadeau, C. Snyder, Multiple Additional Authors

Physics Faculty Publications and Presentations

Environments where geothermal waters and glacier meltwater mix are common on Earth yet little is known about the biogeochemical processes that occur when hot, reduced geothermal water mixes with cold, oxidized glacial meltwater in natural systems. Mount St. Helens provides an ideal location to study the interaction between geothermal and glacier waters since the water sources, and their mixing environment in Step Creek, are exposed in the volcanic crater. We find that the two water sources contain distinct major ion, trace element, dissolved organic matter (DOM), and biological signatures. The hot spring contains high concentrations of biogeochemically reactive components (e.g., …

Preface To Special Issue On Water Electrolysis For Hydrogen Production, Li Li, Jin-Song Hu, Zi-Dong Wei

Journal of Electrochemistry

No abstract provided.

Applying Expansive Framing To An Integrated Mathematics-Computer Science Unit, Kimberly Evagelatos Beck, Jessica F. Shumway

Publications

In this research report for the National Council of Teachers of Mathematics 2022 Research Conference, we discuss the theory of Expansive Framing and its application to an interdisciplinary mathematics-computer science curricular unit.

Effects Of Early‑Life Experience On Innovation And Problem‑Solving In Captive Coyotes, Andrew C. Garcia, Mitchell A. Parsons, Julie K. Young

United States Department of Agriculture Wildlife Services: Staff Publications

Early-life experience often shapes behaviors like innovation and exploration. These behaviors are important to animals encountering novel food resources in diverse habitats, such as mesocarnivores in urban areas. To understand if early-life experiences impact later-life behavior, we examined how coyotes (Canis latrans) responded to a multi-access puzzle box at two life stages: pup (~ 7 weeks) and dispersal (~ 10 months). We first exposed pups, still living with their parents and littermates, to a baited puzzle box. At dispersal age, we again tested both these pups and an age-matched control group that was not exposed to the puzzle …

Butte Priority Soils Operable Unit (Bpsou) Final Insufficiently Reclaimed Sites - Field Sampling Plan (Fsp) Bres No. 34 – Eveline And Response To Agency Comments, Mike Mcanulty

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Butte Priority Soils Operable Unit (Bpsou) Final Insufficiently Reclaimed Sites - Field Sampling Plan (Fsp) Bres No. 34 – Eveline, Mike Mcanulty

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Recent Development Of Low Iridium Electrocatalysts Toward Efficient Water Oxidation, Jing Ni, Zhao-Ping Shi, Xian Wang, Yi-Bo Wang, Hong-Xiang Wu, Chang-Peng Liu, Jun-Jie Ge, Wei Xing

Journal of Electrochemistry

Developing high-performance and low-cost electrocatalysts for oxygen evolution reaction (OER) is the key to implementing polymer electrolyte membrane water electrolyzer (PEMWE) for hydrogen production. To date, iridium (Ir) is the state-of-the-art OER catalyst, but still suffers from the insufficient activity and scarce earth abundance, which results in high cost both in stack and electricity. Design low-Ir catalysts with enhanced activity and stability that can match the requirements of high current and long-term operation in PEMWE is thus highly desired, which necessitate a deep understanding of acidic OER mechanisms, unique insights of material design strategies, and reliable performance evaluation norm, especially …

The Rapid Preparation Of Efficient Mofeco-Based Bifunctional Electrocatalysts Via Joule Heating For Overall Water Splitting, Ao Zhou, Wei-Jian Guo, Yue-Qing Wang, Jin-Tao Zhang

Journal of Electrochemistry

Water electrolysis is an available way to obtain green hydrogen. The development of highly efficient electrocatalysts is a current research hotspot for water splitting, but it remains challenging. Herein, we demonstrate the synthesis of a robust bifunctional multi-metal electrocatalysts toward water splitting via the rapid Joule-heating conversion of metal precursors. The composition and morphology were well regulated via altering the ratio of metal precursors. In particular, the trimetal MoC/FeO/CoO/carbon cloth (CC) electrode revealed the outstanding bifunctional electrocatalytic performance due to the unique composition and large electrochemical active surface area. Typically, the MoC/FeO/CoO/CC catalyst needed low overpotentials of 121 and 268 …

Self-Supporting Nife Ldhs@Co-Oh-Co3 Nanorod Array Electrode For Alkaline Anion Exchange Membrane Water Electrolyzer, Dan-Dan Guo, Hong-Mei Yu, Jun Chi, Zhi-Gang Shao

Journal of Electrochemistry

The development of efficient and durable electrodes for anion exchange membrane water electrolyzers (AEMWEs) is essential for hydrogen production. In this work, 2D NiFe layered double hydroxides (NiFe LDHs) nanosheets were grown on the 1D cobaltous carbonate hydroxide nanowires array (Co-OH-CO₃) and the unique 3D layered self-supporting nanorod array (NiFe LDHs@Co-OH-CO₃/NF) electrode was obtained. Importantly, we demonstrated an efficient and durable self-supporting NiFe LDHs@Co-OH-CO₃/NF electrode for oxygen evolution reaction (OER) and as the anode of the AEMWE. In a three-electrode system, the self-supporting NiFe LDHs@Co-OH-CO₃/NF electrode showed excellent catalytic activity for OER, …

A Co Porphyrin With Electron-Withdrawing And Hydrophilic Substituents For Improved Electrocatalytic Oxygen Reduction, Hong-Bo Guo, Ya-Ni Wang, Kai Guo, Hai-Tao Lei, Zuo-Zhong Liang, Xue-Peng Zhang, Rui Cao

Journal of Electrochemistry

Understanding factors that influence the catalyst activity for oxygen reduction reaction (ORR) is essential for the rational design of efficient ORR catalysts. Regulating catalyst electronic structure is commonly used to fine-tune electrocatalytic ORR activity. However, modifying the hydrophilicity of catalysts has been rarely reported to improve ORR, which happens at the liquid/gas/solid interface. Herein, we report on two Co porphyrins, namely, NO₂-CoP (Co complex of 5,10,15,20-tetrakis(4-nitrophenyl)porphyrin) and 5F-CoP (Co complex of 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin), and their electrocatalytic ORR features. By simultaneously controlling the electronic structure and hydrophilic property of the meso-substituents, the NO₂-CoP showed higher electrocatalytic activity than …

Surface Structure Engineering Of Feni-Based Pre-Catalyst For Oxygen Evolution Reaction: A Mini Review, Jia-Xin Li, Li-Gang Feng

Journal of Electrochemistry

Nitrite, a widespread raw material, is harmful to human health for long-term consumption. At present, the detection methods of nitrite mainly include chemical analysis, fluorescence, ultraviolet spectrophotometry and chromatography. These methods have ideal sensitivity and selectivity, but also have some characteristics: cumbersome operation, expensive equipment and professional personnel. Therefore, the development of a simple and sensitive nitrite assay is of great significance. In this paper, the Au/rGO/FeOOH composite materials, which revealed good synergistic catalytic performance among the three elements in the composite, were prepared by simple hydrothermal method and reduction method for the first time with large specific surface area …

An Empirical Analysis Of Automl Tools And Techniques With Automated Feature Engineering, Kevin Shi

Electronic Theses and Dissertations

Automated machine learning is an approach to automate the creation of machine learning pipelines and models. The ability to automatically create a machine learning pipeline would allow users without machine learning knowledge to create and use machine learning systems. Existing machine learning practitioners can also use these automated approaches to simplify the creation of machine learning systems. As with any tool, effective evaluations of AutoML tools are necessary to ensure users can select the correct tool for their machine learning task.

Current evaluations of automated machine learning are performed on simple general purpose datasets, and these datasets may be unable …

The Life And Death Of Organic Electronics: Controlling Degradation And Regeneration Through Molecular Materials Design, Susanna Vu

Electronic Theses and Dissertations

Next-generation electronics will require conformability and stretchability to expand their integration in daily-life objects to be efficient energy and data storage. However, with the design and development of advanced technology comes the growing problem of electronic waste (e-waste). To tackle this growing challenge and access sustainable technologies, we suggest two routes for the fabrication of new electronics and enhancement of current technology that will reduce waste accumulation by using either degradable materials or regenerative materials. We propose the use of self-immolative polymers (SIPs) and self-healing polymers (SHPs) to control the lifetime and durability of various organic electronics through materials design. …

Perovskite-Type Water Oxidation Electrocatalysts, Xiao Liang, Ke-Xin Zhang, Yu-Cheng Shen, Ke Sun, Lei Shi, Hui Chen, Ke-Yan Zheng, Xiao-Xin Zou

Journal of Electrochemistry

The development of energy conversion/storage technologies can achieve the reliable and stable renewable energy supply, and bring us a sustainable future. As the core half-reaction of many energy-related systems, water oxidation is the bottleneck due to its sluggish kinetics of the four-concerted proton-electron transfer (CPET) process. This necessitates the exploitation of low cost, highly active and stable water oxidation electrocatalysts. Perovskite-type oxides possess diverse crystal structures, flexible compositions and unique electronic properties, enabling them ideal material platform for the optimization of catalytic performance. In this review, we provide a comprehensive summary for the crystal structures, electronic structures and synthetic methods …

Stochastic Trajectory Prediction Via Motion Indeterminacy Diffusion, Tianpei Gu, Guangyi Chen, Junlong Li, Chunze Lin, Yongming Rao, Jie Zhou, Jiwen Lu

Machine Learning Faculty Publications

Human behavior has the nature of indeterminacy, which requires the pedestrian trajectory prediction system to model the multi-modality of future motion states. Unlike existing stochastic trajectory prediction methods which usually use a latent variable to represent multi-modality, we explicitly simulate the process of human motion variation from indeterminate to determinate. In this paper, we present a new framework to formulate the trajectory prediction task as a reverse process of motion indeterminacy diffusion (MID), in which we progressively discard indeterminacy from all the walkable areas until reaching the desired trajectory. This process is learned with a parameterized Markov chain conditioned by …

Mgrre_Thinsections_05_A_33, Mgrre

Thin Sections

No abstract provided.

Neural Net Detection Of Seismic Features Related To Gas Hydrates And Free Gas Accumulations On The Northern U.S. Atlantic Margin, Urmi Majumdar, Nathaniel C. Miller, Carolyn D. Ruppel

United States Geological Survey: Staff Publications

Bottom-simulating reflections (BSRs) that sometimes mark the base of the gas hydrate stability zone in marine sediments are often identified based on the reverse polarity reflections that cut across stratigraphic layering in seismic amplitude data. On the northern U.S. Atlantic margin (USAM) between Cape Hatteras and Hudson Canyon, legacy seismic data have revealed pronounced BSRs south of the deepwater extension of Hudson Canyon and more subtle ones from offshore Delaware south to Cape Hatteras, where the reflections sometimes follow stratigraphic layering. Using high-resolution seismic data acquired during the 2018 Mid-Atlantic Resource Imaging Experiment and a supervised neural net, we identify …