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Characterization Of An Extensive Interface On Vitronectin For Binding To Plasminogen Activator Inhibitor-1: Adoption Of Structure In An Intrinsically Disordered Region, Letitia O. Puster, Christopher B. Stanley, Vladimir N. Uversky, Joseph E. Curtis, Susan Krueger, Yuzhuo Chu, Cynthia B. Peterson Dec 2019

Characterization Of An Extensive Interface On Vitronectin For Binding To Plasminogen Activator Inhibitor-1: Adoption Of Structure In An Intrinsically Disordered Region, Letitia O. Puster, Christopher B. Stanley, Vladimir N. Uversky, Joseph E. Curtis, Susan Krueger, Yuzhuo Chu, Cynthia B. Peterson

Faculty Publications

Copyright © 2019 American Chemical Society. Small-angle neutron scattering (SANS) measurements were pursued to study human vitronectin, a protein found in tissues and the circulation that regulates cell adhesion/migration and proteolytic cascades that govern hemostasis and pericellular proteolysis. Many of these functions occur via interactions with its binding partner, plasminogen activator inhibitor-1 (PAI-1), the chief inhibitor of proteases that lyse and activate plasminogen. We focused on a region of vitronectin that remains uncharacterized from previous X-ray scattering, nuclear magnetic resonance, and computational modeling approaches and which we propose is involved in binding to PAI-1. This region, which bridges the N-terminal …


Emotion Regulation And Resilience In Parent–Adolescent Interactions Among Families Of Harmful Versus Non-Harmful Parental Alcohol Use, Marie Haverfield, Jennifer A. Theiss Dec 2019

Emotion Regulation And Resilience In Parent–Adolescent Interactions Among Families Of Harmful Versus Non-Harmful Parental Alcohol Use, Marie Haverfield, Jennifer A. Theiss

Faculty Publications

This study applied emotion regulation theory to examine parental communication that predicts possible markers of adolescent resilience in families of harmful versus non-harmful parental alcohol use. Parent-adolescent dyads (30 with and 30 without harmful parental alcohol use) participated in video-taped interactions rated for parents' emotion coaching and emotion dismissing communication and adolescents' emotion regulation and behavioral impulsivity. Emotion coaching was positively associated with adolescent emotion regulation and behavioral impulsivity. Emotion dismissing was only positively associated with adolescent behavioral impulsivity. Adolescents in families of harmful alcohol use demonstrated more impulsivity but also showed more emotion regulation in the presence of emotion …


The Belle Ii Physics Book, E. Kou, P. Urquijo, W. Altmannshofer, F. Beajean, G. Bell, M. Beneke, I. I. Bigi, F. Bishara, M. Blanke, C. Bobeth, M. Bona, N. Brambilla, V. M. Braun, J. Brod, A. J. Buras, H. Y. Cheng, C. W. Chiang, M. Ciuchini, G. Colangelo, Milind Purohit, Et. Al. Dec 2019

The Belle Ii Physics Book, E. Kou, P. Urquijo, W. Altmannshofer, F. Beajean, G. Bell, M. Beneke, I. I. Bigi, F. Bishara, M. Blanke, C. Bobeth, M. Bona, N. Brambilla, V. M. Braun, J. Brod, A. J. Buras, H. Y. Cheng, C. W. Chiang, M. Ciuchini, G. Colangelo, Milind Purohit, Et. Al.

Faculty Publications

No abstract provided.


Parenting Paused: Pathological Video Game Use And Parenting Outcomes, Laura Stockdale, Sarah M. Coyne Dec 2019

Parenting Paused: Pathological Video Game Use And Parenting Outcomes, Laura Stockdale, Sarah M. Coyne

Faculty Publications

For most people, playing video games is a normal recreational activity, with little disruption to gamers’ emotional, social, or physical health and well-being. However, for a small percentage of gamers, video gaming can become pathological (Fam, 2018). Substantial research has examined pathological gaming in teens and young adults (Cheng, Cheung, & Wang, 2018; Choo, Gentile, Sim, Khoo, & Liau, 2010), yet pathological gaming in adults (c.f.Holgren, 2017), especially in the context of parenthood, has been relatively ignored. The current study sought to address this limitation by studying associations between pathological gaming characteristics and parenting outcomes in a sample of men …


Being Here And Now: The Benefits Of Belonging In Space And Time, Matthew Baldwin, Lucas A. Keefer Dec 2019

Being Here And Now: The Benefits Of Belonging In Space And Time, Matthew Baldwin, Lucas A. Keefer

Faculty Publications

Research suggests that a sense of belonging is a critical prerequisite of happiness and well-being. While some have focused on belonging provided by relationships, other work demonstrates the value of belonging in certain places. In the current research we join these efforts to understand belonging by offering a novel framework for exploring an understudied but no less fundamental aspect of human experience—time. We situate this framework within an existential analysis of human action and test general predictions about the psychological value of experiencing a sense of belonging in time, what we call temporal rootedness. Two samples (Studies 1 …


Ethical Consistency And Experience: An Attempt To Influence Researcher Attitudes Toward Questionable Research Practices Through Reading Prompts, Samuel V. Bruton, Mitch Brown, Donald F. Sacco Dec 2019

Ethical Consistency And Experience: An Attempt To Influence Researcher Attitudes Toward Questionable Research Practices Through Reading Prompts, Samuel V. Bruton, Mitch Brown, Donald F. Sacco

Faculty Publications

Over the past couple of decades, the apparent widespread occurrence of Questionable Research Practices (QRPs) in scientific research has been widely discussed in the research ethics literature as a source of concern. Various ways of reducing their use have been proposed and implemented, ranging from improved training and incentives for adopting best practices to systematic reforms. This article reports on the results of two studies that investigated the efficacy of simple, psychological interventions aimed at changing researcher attitudes toward QRPs. While the interventions did not significantly modify researchers’ reactions to QRPs, they showed differential efficacy depending on scientists’ experience, suggesting …


Cognitive Impairments And Self-Reported Sleep In Early-Stage Parkinson’S Disease With Versus Without Probable Rem Sleep Behavior Disorder, Jonathan Trout, Taylor Christiansen, M. Brooks Bulkley, Jared J. Tanner, Christopher N. Sozda, Dawn Bowers, Daniel Kay Dec 2019

Cognitive Impairments And Self-Reported Sleep In Early-Stage Parkinson’S Disease With Versus Without Probable Rem Sleep Behavior Disorder, Jonathan Trout, Taylor Christiansen, M. Brooks Bulkley, Jared J. Tanner, Christopher N. Sozda, Dawn Bowers, Daniel Kay

Faculty Publications

Parkinson’s disease (PD) is associated with cognitive and sleep impairments. The presence of rapid eye movement (REM) sleep behavior disorder (RBD) symptoms may represent a worse disease prognosis for PD individuals. We investigated cognitive functioning and self-reported sleep in early-stage PD individuals with (n = 19) or without (n = 31) probable RBD. Probable RBD was defined as >5 on the REM Sleep Behavior Disorder Screening Questionnaire. Inhibition, visuospatial cognitive abilities, working memory, sustained visual attention, verbal fluency, and episodic memory were assessed. Sleep impairments were assessed using the Pittsburgh Sleep Quality Index, Insomnia Severity Index, Epworth Sleepiness Scale, and …


Evidence For Late-Stage Eruptive Mass Loss In The Progenitor To Sn2018gep, A Broad-Lined Ic Supernova: Pre-Explosion Emission And A Rapidly Rising Luminous Transient, Anna Y.Q. Ho, Daniel A. Goldstein, Steve Schulze, David K. Khatami, Daniel A. Perley, Mattias Ergon, Avishay Gal-Yam, Alessandra Corsi, Igor Andreoni, Cristina Barbarino, Eric C. Bellm, Nadia Blagorodnova, Joe S. Bright, E. Burns, S. Bradley Cenko, Virginia Cunningham, Kishalay De, Richard Dekany, Alison Dugas, Rob P. Fender, Claes Fransson, Christoffer Fremling, Adam Goldstein, Matthew J. Graham, David Hale, Assaf Horesh, Tiara Hung, Mansi M. Kasliwal, N. Paul M. Kuin, S. R. Kulkarni, Thomas Kupfer, Ragnhild Lunnan, Frank J. Masci Dec 2019

Evidence For Late-Stage Eruptive Mass Loss In The Progenitor To Sn2018gep, A Broad-Lined Ic Supernova: Pre-Explosion Emission And A Rapidly Rising Luminous Transient, Anna Y.Q. Ho, Daniel A. Goldstein, Steve Schulze, David K. Khatami, Daniel A. Perley, Mattias Ergon, Avishay Gal-Yam, Alessandra Corsi, Igor Andreoni, Cristina Barbarino, Eric C. Bellm, Nadia Blagorodnova, Joe S. Bright, E. Burns, S. Bradley Cenko, Virginia Cunningham, Kishalay De, Richard Dekany, Alison Dugas, Rob P. Fender, Claes Fransson, Christoffer Fremling, Adam Goldstein, Matthew J. Graham, David Hale, Assaf Horesh, Tiara Hung, Mansi M. Kasliwal, N. Paul M. Kuin, S. R. Kulkarni, Thomas Kupfer, Ragnhild Lunnan, Frank J. Masci

Faculty Publications

We present detailed observations of ZTF18abukavn (SN2018gep), discovered in high-cadence data from the Zwicky Transient Facility as a rapidly rising (1.4 ± 0.1 mag hr-1) and luminous (Mg,peak = -20 mag) transient. It is spectroscopically classified as a broad-lined stripped-envelope supernova (Ic-BL SN). The high peak luminosity (Lbol ≳ 3 × 1044 erg s-1), the short rise time (trise = 3 days in g band), and the blue colors at peak (g-r ∼ -0.4) all resemble the high-redshift Ic-BL iPTF16asu, as well as several other unclassified fast transients. The early discovery of SN2018gep (within an hour of shock breakout) enabled …


Platform Pleading: Analyzing Employment Disputes In The Technology Sector, Joseph Seiner Dec 2019

Platform Pleading: Analyzing Employment Disputes In The Technology Sector, Joseph Seiner

Faculty Publications

The technology sector has created thousands of new jobs for workers across the country in an emerging multi-billion dollar industry. Many companies in this platform-based sector are attempting to characterize their workers as independent contractors rather than employees, thus stripping them of both federal and state workplace protections—including the right to bargain collectively, receive fair compensation, and avoid discrimination. The federal courts, which have always grappled with the question of worker classification, are now struggling to define employment with respect to these gig sector jobs. The result has been scattered court decisions with inconsistent and conflicting analyses.

This Essay seeks …


Measurement Of The Integrated Luminosity Of The Phase 2 Data Of The Belle Ii Experiment, F. Abudinén, I. Adachi, P. Ahlburg, H. Aihara, N. Akopov, A. Aloisio, F. Ameli, L. Andricek, N. Anh Ky, D. M. Asner, H. Atmacan, T. Aushev, V. Aushev, T. Aziz, K. Azmi, V. Babu, S. Baehr, S. Bahinipati, A. M. Bakich, Milind Purohit, Et. Al. Dec 2019

Measurement Of The Integrated Luminosity Of The Phase 2 Data Of The Belle Ii Experiment, F. Abudinén, I. Adachi, P. Ahlburg, H. Aihara, N. Akopov, A. Aloisio, F. Ameli, L. Andricek, N. Anh Ky, D. M. Asner, H. Atmacan, T. Aushev, V. Aushev, T. Aziz, K. Azmi, V. Babu, S. Baehr, S. Bahinipati, A. M. Bakich, Milind Purohit, Et. Al.

Faculty Publications

From April to July 2018, a data sample at the peak energy of the Υ(4S) resonance was collected with the Belle II detector at the SuperKEKB electron-positron collider. This is the first data sample of the Belle II experiment. Using Bhabha and digamma events, we measure the integrated luminosity of the data sample to be (469.3±0.3±3.0) pb-1, where the first uncertainty is statistical and the second is systematic. This work provides a basis for future luminosity measurements at Belle II.


Validity Study Of The R-Pla, A Resilience Scale For People Living With Hiv, Jinxiang Hu, Julianne M. Serovich, Monique J. Brown, Judy A. Kimberly, Yi-Hsin Chen Dec 2019

Validity Study Of The R-Pla, A Resilience Scale For People Living With Hiv, Jinxiang Hu, Julianne M. Serovich, Monique J. Brown, Judy A. Kimberly, Yi-Hsin Chen

Faculty Publications

This study provides psychometric assessment of a resilience scale with a sample of women living with HIV. Baseline data were used from a longitudinal HIV disclosure study of 124 women aged between 18-63 collected between 2001 and 2004 in a large Midwestern city. The Rasch model was used to examine the psychometric properties of the resilience scale. Results indicated that the resilience instrument meets the Rasch model application assumptions. Evidence of validity suggested the resilience instrument demonstrated good item and person fit, as well as good item and person reliability. Most items showed measurement invariance across different age and racial …


Tracked Vehicle Physics-Based Energy Modelling And Series Hybrid System Optimisation For The Bradley Fighting Vehicle, Travis E. Mcwhirter, Torrey J. Wagner, John E. Stubbs, Denise M. Rizzo, Jada B. Williams Dec 2019

Tracked Vehicle Physics-Based Energy Modelling And Series Hybrid System Optimisation For The Bradley Fighting Vehicle, Travis E. Mcwhirter, Torrey J. Wagner, John E. Stubbs, Denise M. Rizzo, Jada B. Williams

Faculty Publications

A hybrid electric tracked ground vehicle (HETGV) can reduce military fuel usage, however a review of current tools determined they are not suitable to estimate HEGTV performance. Based on topographic data and vehicle attributes, this research developed an estimation tool by creating a model to determine tracked vehicle energy and fuel requirements, and using these requirements, created a HEGTV cost and performance optimisation for the Bradley fighting vehicle energy system. The optimised design reduced fuel consumption by 15%, and met the vehicle's peak power requirement of 365 kW, with a recommended configuration of a 135 kW generator and 100 kWh …


New Loop Quantum Cosmology Modifications From Gauge-Covariant Fluxes, Klaus Liegener, Parampreet Singh Dec 2019

New Loop Quantum Cosmology Modifications From Gauge-Covariant Fluxes, Klaus Liegener, Parampreet Singh

Faculty Publications

Loop quantum cosmology is a symmetry reduced quantization of cosmological spacetimes based on loop quantum gravity. While it has been successful in resolution of various cosmological singularities and connecting Planck scale physics to phenomenology, its connection with loop quantum gravity has remained elusive. It is therefore important to integrate more and more features of the full theory into this framework and understand the reliability of physical predictions. In particular, if one wishes to connect the effective Hamiltonian in loop quantum cosmology to an expectation value of the scalar constraint operator in suitable coherent states for the full theory, one has …


Some Physical Implications Of Regularization Ambiguities In Su(2) Gauge-Invariant Loop Quantum Cosmology, Klaus Liegener, Parampreet Singh Dec 2019

Some Physical Implications Of Regularization Ambiguities In Su(2) Gauge-Invariant Loop Quantum Cosmology, Klaus Liegener, Parampreet Singh

Faculty Publications

The way physics of loop quantum gravity is affected by the underlying quantization ambiguities is an open question. We address this issue in the context of loop quantum cosmology using gauge-covariant fluxes. Consequences are explored for two choices of regularization parameters: μ0 and μ in the presence of a positive cosmological constant, and two choices of regularizations of the Hamiltonian constraint in loop quantum cosmology: The standard and the Thiemann regularization. We show that novel features of singularity resolution and bounce, occurring due to gauge-covariant fluxes, exist also for Thiemann-regularized dynamics. The μ0 scheme is found to be unviable as …


A New Climbing Shrew From Sulawesi Highlights The Tangled Taxonomy Of An Endemic Radiation, Jacob A. Esselstyn, Anang S. Achmadi, Heru Handika, Thomas C. Giarla, Kevin C. Rowe Dec 2019

A New Climbing Shrew From Sulawesi Highlights The Tangled Taxonomy Of An Endemic Radiation, Jacob A. Esselstyn, Anang S. Achmadi, Heru Handika, Thomas C. Giarla, Kevin C. Rowe

Faculty Publications

We describe a new species of Crocidura (Soricidae) from Sulawesi Island, Indonesia, documenting its novelty with both genetic and morphological characters. The new species is widespread on the island, with vouchered records from nine general localities distributed among five of the island's areas of endemism. Morphologically, the new species is readily distinguished from all other described Sulawesi Crocidura by its intermediate body size, gray pelage, and long, hairy tail. The new species was mainly captured in pitfalls placed in the ground, but we also obtained evidence that it readily climbs trees and may be scansorial in its locomotor habits. Populations …


José Martí: The World's Most Popular Poetry, And A Vision For The Americas, Anne O. Fountain Dec 2019

José Martí: The World's Most Popular Poetry, And A Vision For The Americas, Anne O. Fountain

Faculty Publications

This chapter begins with a capsule biographical sketch that situates José Martí as an agent of decolonization. It discusses Martí's place in literature, especially Spanish American letters, his transcultural importance, his work in translation, his role in the history of Cuban–US relations, and his vision for US relations with Latin America. It demonstrates the extraordinary international reach of his most popular writing by giving close attention to how two works, a book of poetry, Simple Verses (Versos Sencillos) and an essay, “Our America” (“Nuestra América”) have come to represent him to an increasingly broad audience.


Small Molecules That Inhibit Tnf Signalling By Stabilising An Asymmetric Form Of The Trimer, James O'Connell, John Porter, Boris Kroeplien, Tim Norman, Stephen Rapecki, Rachel E. Davis, David Mcmillan, Tracy Arakaki, Alex Burgin, David Fox Iii, Tom Ceska, Fabien Lecomte, Alison Maloney, Alex Vugler, Bruce Carrington, Benjamin P. Cossins, Tim Bourne, Alastair Lawson Dec 2019

Small Molecules That Inhibit Tnf Signalling By Stabilising An Asymmetric Form Of The Trimer, James O'Connell, John Porter, Boris Kroeplien, Tim Norman, Stephen Rapecki, Rachel E. Davis, David Mcmillan, Tracy Arakaki, Alex Burgin, David Fox Iii, Tom Ceska, Fabien Lecomte, Alison Maloney, Alex Vugler, Bruce Carrington, Benjamin P. Cossins, Tim Bourne, Alastair Lawson

Faculty Publications

Tumour necrosis factor (TNF) is a cytokine belonging to a family of trimeric proteins; it has been shown to be a key mediator in autoimmune diseases such as rheumatoid arthritis and Crohn's disease. While TNF is the target of several successful biologic drugs, attempts to design small molecule therapies directed to this cytokine have not led to approved products. Here we report the discovery of potent small molecule inhibitors of TNF that stabilise an asymmetrical form of the soluble TNF trimer, compromising signalling and inhibiting the functions of TNF in vitro and in vivo. This discovery paves the way for …


How Responsiveness From A Communication Partner Affects Story Retell In Aphasia: Quantitative And Qualitative Findings, Tyson G. Harmon, Adam Jacks, Katarina L. Haley, Antoine Bailliard Dec 2019

How Responsiveness From A Communication Partner Affects Story Retell In Aphasia: Quantitative And Qualitative Findings, Tyson G. Harmon, Adam Jacks, Katarina L. Haley, Antoine Bailliard

Faculty Publications

Purpose: Because people with aphasia frequently interact with partners who are unresponsive to their communicative attempts, we investigated how partner responsiveness affects quantitative measures of spoken language and subjective reactions during story retell.

Method: A quantitative and a qualitative study were conducted. In study 1, participants with aphasia and controls retold short stories to a communication partner who indicated interest through supportive backchannel responses (responsive) and another who indicated disinterest through unsupportive backchannel responses (unresponsive). Story retell accuracy, delivery speed, and ratings of psychological stress were measured and compared. In study 2, participants completed semi-structured interviews about their story retell …


Divergent Trophic Responses Of Sympatric Penguin Species To Historic Anthropogenic Exploitation And Recent Climate Change, Kelton W. Mcmahon, Chantel I. Michelson, Tom Hart, Matthew D. Mccarthy, William P. Patterson, Michael J. Polito Dec 2019

Divergent Trophic Responses Of Sympatric Penguin Species To Historic Anthropogenic Exploitation And Recent Climate Change, Kelton W. Mcmahon, Chantel I. Michelson, Tom Hart, Matthew D. Mccarthy, William P. Patterson, Michael J. Polito

Faculty Publications

No abstract provided.


Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. I. Formalism, Lachlan T. Belcher, Gary S. Kedziora, David E. Weeks Dec 2019

Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. I. Formalism, Lachlan T. Belcher, Gary S. Kedziora, David E. Weeks

Faculty Publications

Analytic gradients of electronic eigenvalues require one calculation per nuclear geometry, compared to at least 3n + 1 calculations for finite difference methods, where n is the number of nuclei. Analytic nonadiabatic derivative coupling terms (DCTs), which are calculated in a similar fashion, are used to remove nondiagonal contributions to the kinetic energy operator, leading to more accurate nuclear dynamics calculations than those that employ the Born-Oppenheimer approximation, i.e., that assume off-diagonal contributions are zero. The current methods and underpinnings for calculating both of these quantities, gradients and DCTs, for the State-Averaged MultiReference Configuration Interaction with Singles and Doubles (MRCI-SD) …


Contrasting Regional Soil Alteration Across The Topographic Dichotomy Of Mars, D. R. Hood, S. Karunatillake, O. Gasnault, A. J. Williams, B. Dutrow, L. Ojha, S. Kobs, K. Kim, J. Heldmann, C. Fralick Dec 2019

Contrasting Regional Soil Alteration Across The Topographic Dichotomy Of Mars, D. R. Hood, S. Karunatillake, O. Gasnault, A. J. Williams, B. Dutrow, L. Ojha, S. Kobs, K. Kim, J. Heldmann, C. Fralick

Faculty Publications

©2019. American Geophysical Union. All Rights Reserved. Landscapes on either side of the martian topographic dichotomy bear distinct soil chemistry, but the processes associated with this distinction remain poorly understood. Here, correlation of soil chemistry at global to regional scales is examined with multivariate analysis of Gamma-Ray Spectrometer chemical maps and the Thermal Emission Spectrometer-derived Dust Cover Index (DCI). In the analysis, the northern lowlands show a strong S-Cl correlation, contrasting with the southern highlands, which show a stronger S-H2O correlation. These observations suggest aqueous interaction with soils throughout the southern highlands, preferentially dissolving Cl compounds and weakening S-Cl correlation. …


Transcriptome-Wide Association Study Identifies Putative Elicitors/Suppressor Of Puccinia Graminis F. Sp. Tritici That Modulate Barley Rpg4-Mediated Stem Rust Resistance, Roshan Sharma Poudel, Jonathan Richards, Subidhya Shrestha, Shyam Solanki, Robert Brueggeman Dec 2019

Transcriptome-Wide Association Study Identifies Putative Elicitors/Suppressor Of Puccinia Graminis F. Sp. Tritici That Modulate Barley Rpg4-Mediated Stem Rust Resistance, Roshan Sharma Poudel, Jonathan Richards, Subidhya Shrestha, Shyam Solanki, Robert Brueggeman

Faculty Publications

Background: Stem rust is an economically important disease of wheat and barley. However, studies to gain insight into the molecular basis of these host-pathogen interactions have primarily focused on wheat because of its importance in human sustenance. This is the first extensive study utilizing a transcriptome-wide association mapping approach to identify candidate Puccinia graminis f. sp. tritici (Pgt) effectors/suppressors that elicit or suppress barley stem rust resistance genes. Here we focus on identifying Pgt elicitors that interact with the rpg4-mediated resistance locus (RMRL), the only effective source of Pgt race TTKSK resistance in barley. Results: Thirty-seven Pgt isolates showing differential …


Analyze Informant-Based Questionnaire For The Early Diagnosis Of Senile Dementia Using Deep Learning, Fubao Zhu, Xiaonan Li, Daniel Mcgonigle, Haipeng Tang, Zhuo He, Chaoyang Zhang, Guang-Uei Hung, Pai-Yi Chu, Weihua Zhou Dec 2019

Analyze Informant-Based Questionnaire For The Early Diagnosis Of Senile Dementia Using Deep Learning, Fubao Zhu, Xiaonan Li, Daniel Mcgonigle, Haipeng Tang, Zhuo He, Chaoyang Zhang, Guang-Uei Hung, Pai-Yi Chu, Weihua Zhou

Faculty Publications

Objective: This paper proposes a multiclass deep learning method for the classification of dementia using an informant-based questionnaire.

Methods: A deep neural network classification model based on Keras framework is proposed in this paper. To evaluate the advantages of our proposed method, we compared the performance of our model with industry-standard machine learning approaches. We enrolled 6,701 individuals, which were randomly divided into training data sets (6030 participants) and test data sets (671 participants). We evaluated each diagnostic model in the test set using accuracy, precision, recall, and F1-Score.

Results: Compared with the seven conventional machine learning …


Microcanonical Analysis Of Boltzmann And Gibbs Entropies In Trapped Cold Atomic Gases, Kenneth J. Higginbotham, Daniel E. Sheehy Dec 2019

Microcanonical Analysis Of Boltzmann And Gibbs Entropies In Trapped Cold Atomic Gases, Kenneth J. Higginbotham, Daniel E. Sheehy

Faculty Publications

We analyze a gas of noninteracting fermions confined to a one-dimensional harmonic oscillator potential, with the aim of distinguishing between two proposed definitions of the thermodynamic entropy in the microcanonical ensemble, namely the standard Boltzmann entropy and the Gibbs (or volume) entropy. The distinction between these two definitions is crucial for systems with an upper bound on allowed energy levels, where the Boltzmann definition can lead to the notion of negative absolute temperature. Although negative temperatures do not exist for the system of fermions studied here, we still find a significant difference between the Boltzmann and Gibbs entropies, and between …


Pretreatment Of Waste Biomass In Deep Eutectic Solvents: Conductive Heating Versus Microwave Heating, Narendra Kumar, Pranjali D. Muley, Dorin Boldor, Gary G. Coty, Joan G. Lynam Dec 2019

Pretreatment Of Waste Biomass In Deep Eutectic Solvents: Conductive Heating Versus Microwave Heating, Narendra Kumar, Pranjali D. Muley, Dorin Boldor, Gary G. Coty, Joan G. Lynam

Faculty Publications

Deep Eutectic Solvents (DESs) have recently emerged as an environmentally-friendly way to separate lignin from cellulose and hemicellulose in recalcitrant biomass prior to enzymatic hydrolysis to enhance glucose yields. Rice hulls, a widely-available secondary agricultural residue was pretreated with FA: CC (formic acid and choline chloride in a 2:1 mol ratio) using conductive heating and microwave heating. Pretreated biomass using either heating technique gave glucose titers 100 times higher than raw rice hulls after enzymatic hydrolysis. FTIR analysis shows similar findings for both heating techniques. For biomass pretreatment using DESs, microwave heating requires less than half of the energy (0.10 …


Cell Velocity Is Asymptotically Independent Of Force: A Differential Equation Model With Random Switching., J. C. Dallon, Emily J. Evans, Christopher P. Grant, William V. Smith Dec 2019

Cell Velocity Is Asymptotically Independent Of Force: A Differential Equation Model With Random Switching., J. C. Dallon, Emily J. Evans, Christopher P. Grant, William V. Smith

Faculty Publications

Numerical simulations suggest that average velocity of a biological cell depends largely on attachment dynamics and less on the forces exerted by the cell. We determine the relationship between two models of cell motion, one based on finite spring constants modeling attachment properties (a randomly switched differential equation) and a limiting case (a centroid model-a generalized random walk) where spring constants are infinite. We prove the main result of this paper, the Expected Velocity Relationship theorem. This result shows that the expected value of the difference between cell locations in the differential equation model at the initial time and at …


Monitoring The Growth Dynamics Of Colloidal Gold-Silver Core-Shell Nanoparticles Using In Situ Second Harmonic Generation And Extinction Spectroscopy, Jeewan C. Ranasinghe, Asela S. Dikkumbura, Prakash Hamal, Min Chen, Rami A. Khoury, Holden T. Smith, Kenneth Lopata, Louis H. Haber Dec 2019

Monitoring The Growth Dynamics Of Colloidal Gold-Silver Core-Shell Nanoparticles Using In Situ Second Harmonic Generation And Extinction Spectroscopy, Jeewan C. Ranasinghe, Asela S. Dikkumbura, Prakash Hamal, Min Chen, Rami A. Khoury, Holden T. Smith, Kenneth Lopata, Louis H. Haber

Faculty Publications

© 2019 Author(s). The growth dynamics of gold-silver core-shell (Au@Ag) nanoparticles are studied using in situ time-dependent second harmonic generation (SHG) and extinction spectroscopy to investigate the nanoparticle shell formation. The silver shell is grown by reduction of silver cations onto a 14 nm gold core using ascorbic acid in colloidal aqueous solution under varying reaction concentrations producing Au@Ag nanoparticles of final sizes ranging from 51 to 78 nm in diameter. The in situ extinction spectra show a rapid increase in intensity on the timescale of 5-6 s with blue shifting and narrowing of the plasmonic peak during the silver …


Computational Screening Of New Perovskite Materials Using Transfer Learning And Deep Learning, Xiang Li, Yabo Dan, Rongzhi Dong, Zhuo Cao, Chengcheng Niu, Yuqi Song, Shaobo Li, Jianjun Hu Dec 2019

Computational Screening Of New Perovskite Materials Using Transfer Learning And Deep Learning, Xiang Li, Yabo Dan, Rongzhi Dong, Zhuo Cao, Chengcheng Niu, Yuqi Song, Shaobo Li, Jianjun Hu

Faculty Publications

As one of the most studied materials, perovskites exhibit a wealth of superior properties that lead to diverse applications. Computational prediction of novel stable perovskite structures has big potential in the discovery of new materials for solar panels, superconductors, thermal electric, and catalytic materials, etc. By addressing one of the key obstacles of machine learning based materials discovery, the lack of sufficient training data, this paper proposes a transfer learning based approach that exploits the high accuracy of the machine learning model trained with physics-informed structural and elemental descriptors. This gradient boosting regressor model (the transfer learning model) allows us …


Exact Isovector Pairing In A Shell-Model Framework: Role Of Proton-Neutron Correlations In Isobaric Analog States, M. E. Miora, K. D. Launey, D. Kekejian, F. Pan, J. P. Draayer Dec 2019

Exact Isovector Pairing In A Shell-Model Framework: Role Of Proton-Neutron Correlations In Isobaric Analog States, M. E. Miora, K. D. Launey, D. Kekejian, F. Pan, J. P. Draayer

Faculty Publications

We utilize a nuclear shell model Hamiltonian with only two adjustable parameters to generate, for the first time, exact solutions for pairing correlations for light to medium-mass nuclei, including the challenging proton-neutron pairs, while also identifying the primary physics involved. In addition to single-particle energy and Coulomb potential terms, the shell model Hamiltonian consists of an isovector T=1 pairing interaction and an average proton-neutron isoscalar T=0 interaction, where the T=0 term describes the average interaction between nonpaired protons and neutrons. This Hamiltonian is exactly solvable, where, utilizing three to seven single-particle energy levels, we reproduce experimental data for 0+ state …


Anthropogenic Control Over Wintertime Oxidation Of Atmospheric Pollutants, Jessica D. Haskins, F. D. Lopez-Hilfiker, B. H. Lee, V. Shah, G. M. Wolfe, J. Digangi, D. Fibiger, E. E. Mcduffie, P. Veres, J. C. Schroder, P. Campuzano-Jost, D. A. Day, J. L. Jimenez, A. Weinheimer, T. Sparks, R. C. Cohen, T. Campos, A. Sullivan, H. Guo, R. Weber, Jack E. Dibb, J. Green, M. Fiddler, S. Bililign, L. Jaeglé, S. S. Brown, J. A. Thornton Dec 2019

Anthropogenic Control Over Wintertime Oxidation Of Atmospheric Pollutants, Jessica D. Haskins, F. D. Lopez-Hilfiker, B. H. Lee, V. Shah, G. M. Wolfe, J. Digangi, D. Fibiger, E. E. Mcduffie, P. Veres, J. C. Schroder, P. Campuzano-Jost, D. A. Day, J. L. Jimenez, A. Weinheimer, T. Sparks, R. C. Cohen, T. Campos, A. Sullivan, H. Guo, R. Weber, Jack E. Dibb, J. Green, M. Fiddler, S. Bililign, L. Jaeglé, S. S. Brown, J. A. Thornton

Faculty Publications

During winter in the midlatitudes, photochemical oxidation is significantly slower than in summer and the main radical oxidants driving formation of secondary pollutants, such as fine particulate matter and ozone, remain uncertain, owing to a lack of observations in this season. Using airborne observations, we quantify the contribution of various oxidants on a regional basis during winter, enabling improved chemical descriptions of wintertime air pollution transformations. We show that 25–60% of NOx is converted to N2O5 via multiphase reactions between gas-phase nitrogen oxide reservoirs and aerosol particles, with ~93% reacting in the marine boundary layer to form >2.5 ppbv ClNO2. …