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3. Effect of microbiology comment nudging on antibiotic use in asymptomatic bacteriuria: A before-and-after quasi-experimental study

Author

Madeline G. Belk, Olivia D. Hammond, Callie C. Seales, Jonathan D. Edwards, and Taylor D. Steuber

Subjects
Microbiology (medical), Infectious Diseases, Epidemiology
Abstract

Objective: To describe the effect of a microbiology comment nudge on antibiotic use for asymptomatic bacteriuria (ASB). Design: Single-center, before-and-after, quasi-experimental study. Setting: Community-based, public, not-for-profit teaching hospital in the southeastern United States. Participants: Adult inpatients with a positive urine culture and the absence of urinary tract infection signs and symptoms. Intervention: Implementation of a microbiology comment nudge on urine cultures. Results: In total, 204 patients were included in the study. Antibiotics were less likely to be continued beyond 72 hours in the postimplementation group: 57 (55%) of 104 versus 38 (38%) of 100 (P = .016). They were less likely to have antibiotics continued beyond 48 hours: 60 (58%) of 104 versus 43 (43%) of 100 (P = .036). They were also less likely to have antibiotics prescribed at discharge 35 (34%) of 104 versus 20 (20%) of 100 (P = .028). In addition, they had fewer total antibiotic days of therapy: 4 (IQR, 1–6) versus 1 (IQR, 0–6) (P = .022). Conclusion: Microbiology comment nudging may contribute to less antibiotic utilization in patients with ASB.

Published
2023

7. β-importin Tnpo-SR promotes germline stem cell maintenance and oocyte differentiation in female Drosophila

Author

Allison N. Beachum, Taylor D. Hinnant, Anna E. Williams, Amanda M. Powell, and Elizabeth T. Ables

Subjects
Cell Biology, Molecular Biology, Developmental Biology
Abstract

Germ cell development requires interplay between factors that balance cell fate and division. Early in their development, germ cells in many organisms divide mitotically with incomplete cytokinesis. Key regulatory events then lead to the specification of mature gametes, marked by the switch to a meiotic cell cycle program. Though the regulation of germ cell proliferation and meiosis are well understood, how these events are coordinated during development remains incompletely described. Originally characterized in their role as nucleo-cytoplasmic shuttling proteins, β-importins exhibit diverse functions during male and female gametogenesis. Here, we describe novel, distinct roles for the β-importin, Transportin-Serine/Arginine rich (Tnpo-SR), as a regulator of the mitosis to meiosis transition in the Drosophila ovary. We find that Tnpo-SR is necessary for germline stem cell (GSC) establishment and self-renewal, likely by controlling the response of GSCs to bone morphogenetic proteins. Depletion of Tnpo-SR results in germ cell counting defects and loss of oocyte identity. We show that in the absence of Tnpo-SR, proteins typically suppressed in germ cells when they exit mitosis fail to be down-regulated, and oocyte-specific factors fail to accumulate. Together, these findings provide new insight into the balance between germ cell division and differentiation and identify novel roles for β-importins in germ cell development.

Published
2023

8. Improving Transcranial Acoustic Targeting: The Limits of CT-Based Velocity Estimates and the Role of MR

Author

Taylor D. Webb, Fanrui Fu, Steven A. Leung, Pejman Ghanouni, Jeremy J. Dahl, Mark D. Does, and Kim Butts Pauly

Subjects
Magnetic Resonance Spectroscopy, Acoustics and Ultrasonics, Skull, Humans, Acoustics, Electrical and Electronic Engineering, Tomography, X-Ray Computed, Instrumentation, Magnetic Resonance Imaging
Abstract

Transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) enables the noninvasive treatment of the deep brain. This capacity relies on the ability to focus acoustic energy through the in-tact skull, a feat that requires accurate estimates of the acoustic velocity in individual patient skulls. In current practice, these estimates are generated using a pretreatment computed tomography (CT) scan and then registered to a magnetic resonance (MR) dataset on the day of the treatment. Treatment safety and efficacy can be improved by eliminating the need to register the CT data to the MR images and by improving the accuracy of acoustic velocity measurements. In this study, we examine the capacity of MR to supplement or replace CT as a means of estimating velocity in the skull. We find that MR can predict velocity with less but comparable accuracy to CT. We then use micro-CT imaging to better understand the limitations of Hounsfield unit (HU)-based estimates of velocity, demonstrating that the macrostructure of pores in the skull contributes to the acoustic velocity of the bone. We find evidence that detailed T2 measurements provide information about pore macrostructure similar to the information obtained with micro-CT, offering a potential clinical mechanism for improving patient-specific estimates of acoustic velocity in the human skull.

Published
2023

11. Comparison of Differences in Surgical Complications Between Fellowship-Trained Orthopedic Foot and Ankle Surgeons and All Other Orthopedic Surgeons Using the ABOS Database

Author

Taylor D. Ottesen, Neil Pathak, Michael R. Mercier, David S. Kirwin, Adam M. Lukasiewicz, Jonathan N. Grauer, and Lee E. Rubin

Subjects
Orthopedics and Sports Medicine, Surgery
Abstract

During the past decade, US orthopedic residency graduates have become increasingly subspecialized presumably for decreased patient complications; however, no study has examined this clinical utility for foot and ankle (F&A) surgeries among different fellowship subspecialties. Data from American Board of Orthopaedic Surgery 1999 to 2016 Part II Board Certification Examinations were used to assess patients treated by F&A fellowship-trained, trauma fellowship-trained, and all other fellowship-trained orthopedic surgeons performing ankle fracture repair. Adverse events were compared by surgical complexity and fellowship status. Factors independently associated with surgical complications were identified using a binary multivariate logistic regression. A total of 45,031 F&A cases met inclusion criteria. From 1999 to 2016, the percentage of F&A procedures performed by F&A fellowship surgeons steadily increased. Surgical complications were significantly different between fellowship trainings (F&A, 7.23%; trauma, 6.65%; and other, 7.84%). This difference became more pronounced with more complicated fracture pattern. On multivariate regression, F&A fellowship training was associated with significantly decreased likelihood of surgeon-reported complications (odds ratio, 0.83; 95% CI, 0.76–0.92; P P =.035). Despite presumed increased complexity of cases treated by F&A fellowship-trained surgeons, these patients had significantly decreased risk of surgeon-reported surgical complications, thus highlighting the value of F&A fellowship training. In the absence of vital patient comorbidity data in the American Board of Orthopaedic Surgery database, further research must examine specific patient comorbidities and case acuity and their influence on treatments and surgical complications between fellowship-trained and other orthopedic surgeons to further illuminate the value of subspecialty training. [ Orthopedics . 202x;4x(x):xx–xx.]

Published
2023

12. COVID-19 and Other Underlying Causes of Cancer Deaths — United States, January 2018–July 2022

Author

S Jane, Henley, Nicole F, Dowling, Farida B, Ahmad, Taylor D, Ellington, Manxia, Wu, and Lisa C, Richardson

Subjects
Health (social science), Health Information Management, Epidemiology, Health, Toxicology and Mutagenesis, General Medicine
Abstract

Cancer survivors (persons who have received a diagnosis of cancer, from the time of diagnosis throughout their lifespan)* have increased risk for severe COVID-19 illness and mortality (1). This report describes characteristics of deaths reported to CDC's National Vital Statistics System (NVSS), for which cancer was listed as the underlying or a contributing cause (cancer deaths) during January 1, 2018-July 2, 2022. The underlying causes of death, including cancer and COVID-19, were examined by week, age, sex, race and ethnicity, and cancer type. Among an average of approximately 13,000 weekly cancer deaths, the percentage with cancer as the underlying cause was 90% in 2018 and 2019, 88% in 2020, and 87% in 2021. The percentage of cancer deaths with COVID-19 as the underlying cause differed by time (2.0% overall in 2020 and 2.4% in 2021, ranging from 0.2% to 7.2% by week), with higher percentages during peaks in the COVID-19 pandemic. The percentage of cancer deaths with COVID-19 as the underlying cause also differed by the characteristics examined, with higher percentages observed in 2021 among persons aged ≥65 years (2.4% among persons aged 65-74 years, 2.6% among persons aged 75-84 years, and 2.4% among persons aged ≥85 years); males (2.6%); persons categorized as non-Hispanic American Indian or Alaska Native (AI/AN) (3.4%), Hispanic or Latino (Hispanic) (3.2%), or non-Hispanic Black or African American (Black) (2.5%); and persons with hematologic cancers, including leukemia (7.4%), lymphoma (7.3%), and myeloma (5.8%). This report found differences by age, sex, race and ethnicity, and cancer type in the percentage of cancer deaths with COVID-19 as the underlying cause. These results might guide multicomponent COVID-19 prevention interventions and ongoing, cross-cutting efforts to reduce health disparities and address structural and social determinants of health among cancer survivors, which might help protect those at disproportionate and increased risk for death from COVID-19.

Published
2022

13. Strain‐dependent differences in coordination of yeast signalling networks

Author

Taylor D. Scott, Ping Xu, and Megan N. McClean

Subjects
Cell Biology, Molecular Biology, Biochemistry
Abstract

The yeast mitogen-activated protein kinase pathways serve as a model system for understanding how network interactions affect the way in which cells coordinate the response to multiple signals. We have quantitatively compared two yeast strain backgrounds YPH499 and Σ1278b (both of which have previously been used to study these pathways) and found several important differences in how they coordinate the interaction between the high osmolarity glycerol (HOG) and mating pathways. In the Σ1278b background, in response to simultaneous stimulus, mating pathway activation is dampened and delayed in a dose-dependent manner. In the YPH499 background, only dampening is dose-dependent. Furthermore, leakage from the HOG pathway into the mating pathway (crosstalk) occurs during osmostress alone in the Σ1278b background only. The mitogen-activated protein kinase Hog1p suppresses crosstalk late in an induction time course in both strains but does not affect the early crosstalk seen in the Σ1278b background. Finally, the kinase Rck2p plays a greater role suppressing late crosstalk in the Σ1278b background than in the YPH499 background. Our results demonstrate that comparisons between laboratory yeast strains provide an important resource for understanding how signalling network interactions are tuned by genetic variation without significant alteration to network structure.

Published
2022

15. Trends in breast cancer mortality by race/ethnicity, age, and US census region, United States─1999‐2020

Author

Taylor D. Ellington, S. Jane Henley, Reda J. Wilson, Jacqueline W. Miller, Manxia Wu, and Lisa C. Richardson

Subjects
Cancer Research, Oncology
Abstract

Breast cancer remains a leading cause of morbidity and mortality among women in the United States. Previous analyses show that breast cancer incidence increased from 1999 to 2018. The purpose of this article is to examine trends in breast cancer mortality.Analysis of 1999 to 2020 mortality data from the Centers for Disease Control and Prevention, National Center for Health Statistics, among women by race/ethnicity, age, and US Census region.It was found that overall breast cancer mortality is decreasing but varies by race/ethnicity, age group, and US Census region. The largest decrease in mortality was observed among non-Hispanic White women, women aged 45 to 64 years of age, and women living in the Northeast; whereas the smallest decrease in mortality was observed among non-Hispanic Asian or Pacific Islander women, women aged 65 years or older, and women living in the South.This report provides national estimates of breast cancer mortality from 1999 to 2020 by race/ethnicity, age group, and US Census region. The decline in breast cancer mortality varies by demographic group. Disparities in breast cancer mortality have remained consistent over the past two decades. Using high-quality cancer surveillance data to estimate trends in breast cancer mortality may help health care professionals and public health prevention programs tailor screening and diagnostic interventions to address these disparities.

Published
2022

16. From Patient to Provider: How Personal Medical Trauma Can Inform Supervision and Clinical Practice

Author

Robert M. Gordon, Aria B. Grillo, Natalia S. Bernal-Fernandez, Taylor D. Groth, Jed N. McGiffin, and Kenneth D. Hartline

Subjects
Psychiatry and Mental health, Clinical Psychology, Article
Abstract

Two predoctoral psychology interns share their personal reflections of neurological injuries they experienced during their adolescence and how it has informed and shaped their clinical work. Through their reflections, they provide insights and lessons learned as they have the unique first-hand experience of being a patient and now a rehabilitation psychology trainee and provider. Additionally, they describe how they have applied such knowledge during their clinical work with clients experiencing neurological and chronic health conditions. Issues involving communication with clients, families, and the treatment teams, the benefits and risks of self-disclosure, and the role of hope, meaning in life, and spirituality are discussed. The clinical practice implications of these insights are invaluable for trainees and healthcare specialists at all levels of experience, including the crucial role of supervision during the predoctoral internship year. Recommendations are made for clinical practice including providing developmentally appropriate communication and promoting an environment for growth and recovery. The authors are hopeful that the reflections provided in this article can inspire other trainees to feel comfortable in sharing their personal medical and psychological challenges as appropriate and relevant to help integrate their professional development.

Published
2022

19. Functional interrogation of twenty type 2 diabetes-associated genes using isogenic hESC-derived β-like cells

Author

Xue, Dongxiang, Narisu, Narisu, Taylor, D. Leland, Zhang, Meili, Grenko, Caleb, Taylor, Henry J., Yan, Tingfen, Tang, Xuming, Sinha, Neelam, Zhu, Jiajun, Vandana, J. Jeya, Chong, Angie Chi Nok, Lee, Angela, Mansell, Erin C., Swift, Amy J., Erdos, Michael R., Zhou, Ting, Bonnycastle, Lori L., Zhong, Aaron, Chen, Shuibing, and Collins, Francis S.

Subjects
Article
Abstract

SummaryGenetic studies have identified numerous loci associated with type 2 diabetes (T2D), but the functional role of many loci has remained unexplored. In this study, we engineered isogenic knockout human embryonic stem cell (hESC) lines for 20 genes associated with T2D risk. We systematically examined β-cell differentiation, insulin production and secretion, and survival. We performed RNA-seq and ATAC-seq on hESC-β cells from each knockout line. Analyses of T2D GWAS signals overlapping with HNF4A-dependent ATAC peaks identified a specific SNP as a likely causal variant. In addition, we performed integrative association analyses and identified four genes (CP, RNASE1, PCSK1NandGSTA2) associated with insulin production, and two genes (TAGLN3andDHRS2) associated with sensitivity to lipotoxicity. Finally, we leveraged deep ATAC-seq read coverage to assess allele-specific imbalance at variants heterozygous in the parental hESC line, to identify a single likely functional variant at each of 23 T2D GWAS signals.

Published
2023

20. Underweight patients are the highest risk body mass index group for perioperative adverse events following stand-alone anterior lumbar interbody fusion

Author

Taylor D. Ottesen, Anoop R. Galivanche, Janelle D. Greene, Rohil Malpani, Arya G. Varthi, and Jonathan N. Grauer

Subjects
Lumbar Vertebrae, Postoperative Complications, Spinal Fusion, Treatment Outcome, Thinness, Humans, Surgery, Orthopedics and Sports Medicine, Neurology (clinical), Overweight, Body Mass Index, Obesity, Morbid, Retrospective Studies
Abstract

Prior studies investigating the association between Body Mass Index (BMI) and patient outcomes following spine surgery have had inconsistent conclusions, likely owing to insufficient power, confounding variables, and varying definitions and cutoffs for BMI categories (eg, underweight, overweight, obese, etc.). Further, few studies have considered outcomes among low BMI cohorts.The current study analyzes how anterior lumbar interbody fusion (ALIF) perioperative outcomes vary along the BMI spectrum, using World Health Organization (WHO) categories of BMI.A retrospective cohort study.Patients undergoing stand-alone one or two-level anterior lumbar interbody fusion (ALIF) found in the 2005-2018 American College of Surgeons National Surgical Quality Improvement Program (NSQIP) databases.Thirty-day adverse events, hospital readmissions, post-operative infections, and mortality.Stand-alone one or two-level ALIF surgical cases were identified and extracted from the 2005-2018 National Surgical Quality Improvement Program (NSQIP) database. Posterior cases and those primary diagnoses of trauma, tumor, infection, or emergency presentation were excluded. Patients were then binned into WHO guidelines of BMI. The incidence of adverse outcomes within 30-day post-operation was defined. Odds ratios of adverse outcomes, normalized to the average risk of normal-weight subjects (BMI 18.5-24.9 kg/mIn total, 13,710 ALIF patients were included in the study. Incidence of adverse events was elevated in both the underweight (BMI18.5 kg/mUnderweight patients are at greater odds of experiencing postoperative adverse events than normal, overweight, obese class 1, or even obese class 2 patients. The present study identifies underweight patients as an at-risk population that should be given additional consideration by health systems and physicians, as is already done for those on the other side of the BMI spectrum.

Published
2022

22. Childhood adversity is associated with heightened inflammation after sleep loss

Author

Neha A. John-Henderson, Taylor D. Kampf, Giovanni Alvarado, Cory J. Counts, Jade M. Larsen, and Cara A. Palmer

Subjects
Inflammation, Behavioral Neuroscience, C-Reactive Protein, Adverse Childhood Experiences, Humans, Sleep Deprivation, Biomarkers, Article
Abstract

OBJECTIVES: To investigate whether childhood adversity exacerbates the relationship between sleep restriction and inflammation. METHODS: Participants (N=46) were randomly assigned to an experimental sleep restriction group (n=25) or a night of typical sleep (n=21). Participants provided a dried blood spot sample the morning before and after the experimental night. RESULTS: A significant interaction emerged between childhood adversity and group assignment on C-reactive protein (CRP) after the experimental night (Beta = −.02, SE = .01, p = .03, 95% CI: −.05, −.002). Sleep restriction resulted in an increase in CRP at high levels of childhood adversity (+1 SD; Effect = −.57, SE = .15, p < .001; 95% CI: −.87, −.26) but not low levels of childhood adversity (Effect = −.08, SE = .10, p = .40; 95% CI: −.29, .12). CONCLUSION: Childhood adversity may amplify the effect of sleep loss on markers of inflammation.

Published
2022

24. Fair Play: A Qualitative Exploration of Visitor Behavior at PlayGrand Adventures All-Abilities Playground

Author

Taylor D. Bunn, Leanne Howell, and Lacy K. Crocker Papadakis

Abstract

People with disabilities in the United States have access to a fraction of engaging play experiences available to others due to playground design choices, minimal legal requirements, and societal acceptance of the status quo. PlayGrand Adventures, the first and largest all-abilities playground in North Texas, meets this need by providing engaging play opportunities for everyone. This qualitative case study explores and describes community engagement at PlayGrand Adventures, informed by principles of environmental reciprocity supported by Bandura’s Social Cognitive Theory (1986) and Gibson’s Affordance Theory (1979). The researcher collected data on community perception and engagement via a questionnaire, semi-structured interviews, and playground observations. The study fills a gap in academic research on all-abilities playgrounds in the United States to increase awareness of the systemic underserving of people with disabilities in this country and provides a potential solution. The researcher offers initial recommendations for PlayGrand Adventures’ future development and implementation with implications for replication in other cities.

Published
2022

25. Impact of ergot alkaloid and steroidal implant on whole-body protein turnover and expression of mTOR pathway proteins in muscle of cattle

Author

Ferguson, Taylor D., Loos, Caroline M. M., Vanzant, Eric S., Urschel, Kristine L., Klotz, James L., and McLeod, Kyle R.

Subjects
General Veterinary
Abstract

IntroductionHolstein steers (n = 32) were used to determine if the ergot analog, bromocriptine decreases muscle protein synthesis through inhibitory action on the mTOR pathway via a direct effect on signal proteins, and if these negative effects can be alleviated with anabolic agents.MethodsSteers were treated with intramuscular administration of bromocriptine (vehicle or 0.1 mg/kg BW) and a subdermal commercial steroidal implant containing trenbolone acetate (TBA) and estradiol 17β (with or without), in a 2×2 factorial design. During the 35 day experiment, intake was restricted to 1.5 times maintenance energy requirement. On days 27 through 32, steers were moved to metabolism stalls for urine collection, and whole-body protein turnover was determined using a single pulse dose of [15N] glycine into the jugular vein on day 28. On day 35, skeletal muscle samples were collected before (basal state) and 60 min after (stimulated state) an i.v. glucose challenge (0.25 g glucose/kg). Blood samples were collected at regular intervals before and after glucose infusion for determination of circulating concentrations of glucose and insulin.ResultsBromocriptine reduced insulin and glucose clearance following the glucose challenge, indicating decreased insulin sensitivity and possible disruption of glucose uptake and metabolism in the skeletal muscle. Conversely, analysis of whole-body protein turnover demonstrated that bromocriptine does not appear to affect protein synthesis or urea excretion. Western immunoblot analysis of skeletal muscle showed that it did not affect abundance of S6K1 or 4E-BP1, so bromocriptine does not appear to inhibit activation of the mTOR pathway or protein synthesis. Estradiol/TBA implant decreased urea excretion and protein turnover but had no effect on protein synthesis, suggesting that steroidal implants promote protein accretion through unchanged rates of synthesis and decreased degradation, even in the presence of bromocriptine, resulting in improved daily gains. Implanted steers likely experienced increased IGF-1 signaling, but downstream activation of mTOR, S6K and 4E-BP1, and thus increased protein synthesis did not occur as expected.ConclusionsOverall, this data suggests that bromocriptine does not have a negative impact on muscle protein synthetic pathways independent of DMI.

Published
2023

26. Discovering Chemically Novel, High-Temperature Superconductors

Author

Colton C. Seegmiller, Sterling G. Baird, Hasan M. Sayeed, and Taylor D. Sparks

Abstract

One of the biggest unsolved problems in condensed matter physics is what mechanism causes high-temperature superconductivity and if there is a material that can exhibit superconductivity at both room temperature and atmospheric pressure. Among the many important properties of a superconductor, the critical temperature (Tc) or transition temperature is the point at which a material transitions into a superconductive state. In this implementation, machine learning is used to predict the critical temperatures of chemically unique compounds in an attempt to identify new chemically novel, high-temperature superconductors. The training data set (SuperCon) consists of known superconductors and their critical temperatures, and the testing data set (NOMAD) consists of around 700,000 novel chemical formulae. The chemical formulae in these data sets are first passed through a collection of rapid screening tools, SMACT, to check for chemical validity. Next, the DiSCoVeR algorithm is used to train on the SuperCon data to form a model, and then screens through batches of the formulae in the NOMAD data set. Having a combination of a chemical distance metric, density-aware dimensionality reduction, clustering, and a regression model, the DiSCoVeR algorithm serves as a tool to identify and assess these superconducting compositions [1]. This research and implementation resulted in the screening of chemically novel compositions exhibiting critical temperatures upwards of 150 K, which correlates to superconductors in the cuprate class. This implementation demonstrates a process of performing machine learning-assisted superconductor screening (while exploring chemically distinct spaces) which can be utilized in the materials discovery process.

Published
2023

27. Structure feature vectors derived from Robocrystallographer text descriptions of crystal structures using word embeddings

Author

Hasan M. Sayeed, Sterling G. Baird, and Taylor D. Sparks

Abstract

Capturing structure-property relationships of materials for property prediction using machine learning requires the representation or featurization of the structural aspects of materials at different levels, including atomic, crystal, and microscales. While crystal structure-based modeling techniques are effective for materials informatics, many materials datasets do not have complete structural information. On the other hand, when it comes to discovering novel materials, structural information of the chemical compounds is not known beforehand. These two cases make the application of structure-based learning techniques limited. Tools for the automated generation of structural features are limited in materials science. Indeed, most structural descriptions of materials are done via human analysis and then stored as text entries in scientific documents. One way to extract a structure-based feature vector from this corpus of knowledge would be to leverage natural language processing to create word embeddings trained on these structural descriptions. This approach could encode the information about the kind of structures any individual element of the periodic table forms which can be leveraged to tackle both the situation mentioned above: lack of structural details in a dataset, structural information for novel materials. In this work, we created word embeddings by training models on automatically generated text descriptions of crystal structure from Robocrystallographer and assess the utility of these structure-based feature vectors in predicting materials properties by comparing the performance against mat2vec and one-hot encoded features.

Published
2023

28. BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization

Author

Husain F. Alnaser and Taylor D. Sparks

Subjects
Multidisciplinary
Abstract

This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature. This research study is based on a CALPHAD approach (ThermoCalc) to theoretically design processing parameters by utilizing theoretical phase diagrams. The targeted material composition consists of Bi–Se2–Te–Sb (BSTS). The semiconductor alloy contains three phases, hexagonal, rhombohedral-1, and rhombohedral-2 crystal structures, that are presented in the phase field of the theoretical pseudo-binary phase diagram. The semiconductor is also evaluated by applying Hume–Rothery rules along with the CALPHAD approach. Thermodynamic modelling suggests that single-crystals of BSTS can be grown at significantly lower temperatures and this is experimentally validated by low-temperature growth of single crystalline samples followed by exfoliation, compositional analysis, and diffraction.

Published
2023

29. Materials Science Optimization Benchmark Dataset for High-dimensional, Multi-objective, Multi-fidelity Optimization of CrabNet Hyperparameters

Author

Sterling G. Baird, Jeet N. Parikh, and Taylor D. Sparks

Abstract

Benchmarks are crucial for driving progress in scientific disciplines. To be effective, benchmarks should closely mimic real-world tasks while being computationally efficient, allowing for accessibility and repeatability. Developing surrogate models that can be indistinguishable from the ground truth observation within the explored dataset bounds dramatically reduces the computational burden of running benchmarks without sacrificing quality, but this requires a large amount of initial data. In the fields of materials science and chemistry, relevant optimization tasks can be challenging due to their complexity, which includes hierarchical, noisy, multi-fidelity, multi-objective, high-dimensional, and non-linearly correlated variables. Additionally, they may include mixed numerical and categorical variables that are subject to linear and non-linear constraints. Simulating or experimentally verifying such tasks can be difficult, which is why benchmarks are essential. This study aimed to overcome these challenges by generating 173219 quasi-random hyperparameter combinations across 23 hyperparameters and using them to train CrabNet on the Matbench experimental band gap dataset (Computational runtime: 387 RTX-2080-Ti GPU days). The results were stored in a free-tier shared MongoDB Atlas dataset, creating a regression dataset that maps hyperparameter combinations to metrics such as MAE, RMSE, computational runtime, and model size for the CrabNet model trained on the Matbench experimental band gap benchmark task. To simulate the actual simulations, heteroskedastic noise was incorporated into the regression dataset, and bad hyperparameter combinations were excluded. Percentile ranks were computed within each group of identical parameter sets to capture heteroskedastic noise, rather than assuming Gaussian noise as is done in traditional approaches. This approach can be applied to other benchmark datasets, bridging the gap between optimization benchmarks with low computational overhead and realistically complex, real-world optimization scenarios.

Published
2023

30. Changes in vitality in response to acute stress: an investigation of the role of anxiety and physiological reactivity

Author

Courtney S Tintzman, Neha A. John-Henderson, and Taylor D Kampf

Subjects
050103 clinical psychology, Hydrocortisone, media_common.quotation_subject, Blood Pressure, Anxiety, Vitality, Article, Arts and Humanities (miscellaneous), Heart Rate, Heart rate, Developmental and Educational Psychology, medicine, Endocrine system, Humans, 0501 psychology and cognitive sciences, Acute stress, Reactivity (psychology), Saliva, media_common, Subjective vitality, 05 social sciences, Psychiatry and Mental health, Clinical Psychology, Feeling, medicine.symptom, Psychology, Stress, Psychological, Clinical psychology
Abstract

BACKGROUND: Feeling alive and invigorated, or vitality, is examined within the framework of a stress paradigm. The current study investigated whether endocrine and cardiovascular responses to acute psychological stress predict declines in vitality. METHODS: A sample of 90 undergraduate students completed an in-lab stressor. We measured anxiety, state vitality, cortisol levels, heart rate, and blood pressure before the task, and measured changes in state vitality, cortisol, heart rate, and blood pressure in response to the stressor. We investigated whether pre-task anxiety predicted changes in state vitality, and whether such changes were explained by physiological responses. RESULTS: Results indicate that cognitive and somatic anxiety preceding a stressor predict changes in vitality, which is mediated by the magnitude of diastolic (95% CI [0.017, 0.517]; [0.006, 0.454] and systolic (95% CI [0.038, 0.705]) blood pressure responses to the task. Cortisol reactivity was associated with somatic anxiety (F(6, 83) = 3.34, p < .01, β = 0.401) but was not related to changes in vitality. CONCLUSIONS: Together, these results contribute to the understanding of how physiological reactivity to a stressor can deplete vitality.

Published
2023

31. Differentiating Preschool Children with Conduct Problems and Callous-Unemotional Behaviors through Emotion Regulation and Executive Functioning

Author

Paulo A. Graziano, Andre V. Maharaj, Alexis Garcia, Rosmary Ros-Demarize, Taylor D. Landis, and Katie C. Hart

Subjects
Conduct Disorder, Male, 050103 clinical psychology, Injury control, Accident prevention, Emotions, Poison control, Suicide prevention, Occupational safety and health, Article, Injury prevention, Developmental and Educational Psychology, Humans, 0501 psychology and cognitive sciences, Problem Behavior, Callous unemotional, 05 social sciences, Human factors and ergonomics, Emotional Regulation, Clinical Psychology, Child, Preschool, Female, Psychology, Copper, 050104 developmental & child psychology, Clinical psychology
Abstract

OBJECTIVE: Callous-unemotional (CU) traits are important characteristics for identifying severe patterns of conduct problems (CP). The current study focused on a) identifying subgroups of young children displaying a combination of CP and CU behaviors and b) examining the extent to which executive functioning (EF) and emotion regulation (ER) are associated with CU behaviors. METHOD: Participants included 249 preschoolers (N = 249, 78% boys, M(age) = 4.95 years; 81% Latino/Hispanic) referred to treatment due to externalizing behavior problems. CU behaviors and CP were measured via a combination of teacher/parent rating scales. A multi-method approach was used to measure EF and ER including parent/teacher rating scales, neuropsychological, and observational tasks. RESULTS: Poorer ER as rated by parents/teachers and observed was associated with greater levels of CU behaviors. Latent profile analyses identified three subgroups of children displaying a) low CU/low CP, b) moderate CU/moderate CP, and c) high CU/high CP. Children in the high CU/high CP group were rated as having significantly poorer rated ER compared to all other groups and poorer observed ER compared to the low CU/low CP group. Exploratory analyses found that children in the high CU/high CP group displayed marginally lower levels of rated ER but significantly better EF performance on standardized neuropsychological tasks compared to children in a low CU/high CP group. CONCLUSIONS: Children with higher levels of reported CU behaviors and CP display poorer ER yet may display relatively better EF performance compared to children with lower levels of CU behaviors and CP.

Published
2023

32. Compactness Matters: Improving Bayesian Optimization Efficiency of Materials Formulations through Invariant Search Spaces

Author

Sterling G. Baird, Jason R. Hall, and Taylor D. Sparks

Subjects
Computational Mathematics, General Computer Science, Mechanics of Materials, General Physics and Astronomy, General Materials Science, General Chemistry
Abstract

Would you rather search for a line inside a cube or a point inside a square? Physics-based simulations and wet-lab experiments often have symmetries (degeneracies) that allow reducing problem dimensionality or search space, but constraining these degeneracies is often unsupported or difficult to implement in many optimization packages, requiring additional time and expertise. So, are the possible improvements in efficiency worth the cost of implementation? We demonstrate that the compactness of a search space (to what extent and how degenerate solutions and non-solutions are removed) affects Bayesian optimization search efficiency. Here, we use the Adaptive Experimentation (Ax) Platform by Meta and a physics-based particle packing simulation with eight or nine tunable parameters, depending on the search space compactness. These parameters represent three truncated log-normal distributions of particle sizes which exhibit compositional-invariance and permutation-invariance characteristic of formulation problems (e.g., chemical formulas, composite materials, alloys). We assess a total of four search space types which range from none up to both constraint types imposed simultaneously. In general, the removal of degeneracy through problem reformulation (as seen by the optimizers surrogate model) improves optimization efficiency. We recommend that optimization practitioners in the physical sciences carefully consider the trade-off between implementation cost and search efficiency before running expensive optimization campaigns.

Published
2023

33. Autonomic Nervous System Dysregulation and Osteoarthritis Pain: Mechanisms, Measurement, and Future Outlook

Author

Taylor D. Yeater, Carlos J. Cruz, Yenisel Cruz-Almeida, and Kyle D. Allen

Subjects
Rheumatology, Osteoarthritis, Humans, Chronic Pain, Autonomic Nervous System, Article
Abstract

PURPOSE OF REVIEW: The autonomic nervous system is an important regulator of stress responses and exhibits functional changes in chronic pain states. This review discusses potential overlap among autonomic dysregulation, osteoarthritis (OA) progression, and chronic pain. From this foundation, we then discuss preclinical to clinical research opportunities to close gaps in our knowledge of autonomic dysregulation and OA. Finally, we consider the potential to generate new therapies for OA pain via modulation of the autonomic nervous system. RECENT FINDINGS: Recent reviews provide a framework for the autonomic nervous system in OA progression; however, research is still limited on the topic. In other chronic pain states, functional overlaps between the central autonomic network and pain processing centers in the brain suggest relationships between concomitant dysregulation of the two systems. Non-pharmacological therapeutics, such as vagus nerve stimulation, mindfulness-based meditation, and exercise, have shown promise in alleviating painful symptoms of joint diseases, and these interventions may be partially mediated through the autonomic nervous system. SUMMARY: The autonomic nervous system appears to be dysregulated in OA progression, and further research on rebalancing autonomic function may lead to novel therapeutic strategies for treating OA pain.

Published
2022

34. Trends in Bulk Compressibility of Mo2–xWxBC Solid Solutions

Author

Marcus E. Parry, Jackson Hendry, Samantha Couper, Aria Mansouri Tehrani, Anton O. Oliynyk, Jakoah Brgoch, Lowell Miyagi, and Taylor D. Sparks

Subjects
General Chemical Engineering, Materials Chemistry, General Chemistry
Published
2022

35. High-throughput calculation of atomic planar density for compounds

Author

Sterling G. Baird and Taylor D. Sparks

Subjects
General Biochemistry, Genetics and Molecular Biology
Abstract

A large collection of element-wise planar densities for compounds obtained from the Materials Project is calculated using brute force computational geometry methods, where the planar density is given by the total fractional area of atoms intersecting a supercell's crystallographic plane divided by the area of the supercell's crystallographic plane. It is demonstrated that the element-wise maximum lattice plane densities can be useful as machine learning features. The methods described here are implemented in an open-source Mathematica package hosted at https://github.com/sgbaird/LatticePlane.

Published
2022

36. Search for new particles in an extended Higgs sector with four b quarks in the final state at s=13TeV

Author

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Reichmann, M, Reissel, C, Reitenspiess, T, Ristic, B, Ruini, D, Sanz Becerra, D, Stampf, V, Steggemann, J, Wallny, R, Amsler, C, Bartschi, P, Botta, C, Brzhechko, D, Canelli, M, Cormier, K, De Wit, A, Del Burgo, R, Heikkila, J, Huwiler, M, Jin, W, Jofrehei, A, Kilminster, B, Leontsinis, S, Liechti, S, Macchiolo, A, Meiring, P, Mikuni, V, Molinatti, U, Neutelings, I, Reimers, A, Robmann, P, Sanchez Cruz, S, Schweiger, K, Senger, M, Takahashi, Y, Adloff, C, Kuo, C, Lin, W, Roy, A, Sarkar, T, Yu, S, Ceard, L, Chao, Y, Chen, K, Chen, P, Cheng, H, Hou, W, Li, Y, Lu, R, Paganis, E, Psallidas, A, Steen, A, Wu, H, Yazgan, E, Yu, P, Asavapibhop, B, Asawatangtrakuldee, C, Srimanobhas, N, Boran, F, Damarseckin, S, Demiroglu, Z, Dolek, F, Dumanoglu, I, Eskut, E, Guler, Y, Gurpinar Guler, E, Isik, C, Kara, O, Kayis Topaksu, A, Kiminsu, U, Onengut, G, Ozdemir, K, Polatoz, A, Simsek, A, Tali, B, Tok, U, Turkcapar, S, Zorbakir, I, Karapinar, G, Ocalan, K, Yalvac, M, Akgun, B, Atakisi, I, Gulmez, E, Kaya, M, Kaya, O, Ozcelik, O, Tekten, S, Yetkin, E, Cakir, A, Cankocak, K, Komurcu, Y, Sen, S, Cerci, S, Hos, I, Isildak, B, Kaynak, B, Ozkorucuklu, S, Sert, H, Simsek, C, Sunar Cerci, D, Zorbilmez, C, Grynyov, B, Levchuk, L, Anthony, D, Bhal, E, Bologna, S, Brooke, J, Bundock, A, Clement, E, Cussans, D, Flacher, H, Goldstein, J, Heath, G, Heath, H, Kreczko, L, Krikler, B, Paramesvaran, S, Seif El Nasr-Storey, S, Smith, V, Stylianou, N, Walkingshaw Pass, K, White, R, Bell, K, Brew, C, Brown, R, Cockerill, D, Cooke, C, Ellis, K, Harder, K, Harper, S, Holmberg, M, Linacre, J, Manolopoulos, K, Newbold, D, Olaiya, E, Petyt, D, Reis, T, Schuh, T, Shepherd-Themistocleous, C, Tomalin, I, Williams, T, Bainbridge, R, Bloch, P, Bonomally, S, Borg, J, Breeze, S, Buchmuller, O, Cepaitis, V, Chahal, G, Colling, D, Dauncey, P, Davies, G, Della Negra, M, Fayer, S, Fedi, G, Hall, G, Hassanshahi, M, Iles, G, Langford, J, Lyons, L, Magnan, A, Malik, S, Martelli, A, Monk, D, Nash, J, Pesaresi, M, Radburn-Smith, B, Raymond, D, Richards, A, Rose, A, Scott, E, Seez, C, Shtipliyski, A, Tapper, A, Uchida, K, Virdee, T, Vojinovic, M, Wardle, N, Webb, S, Winterbottom, D, Coldham, K, Cole, J, Khan, A, Kyberd, P, Reid, I, Teodorescu, L, Zahid, S, Abdullin, S, Brinkerhoff, A, Caraway, B, Dittmann, J, Hatakeyama, K, Kanuganti, A, Mcmaster, B, Saunders, M, Sawant, S, Sutantawibul, C, Wilson, J, Bartek, R, Dominguez, A, Uniyal, R, Vargas Hernandez, A, Buccilli, A, Cooper, S, Di Croce, D, Gleyzer, S, Henderson, C, Perez, C, Rumerio, P, West, C, Akpinar, A, Albert, A, Arcaro, D, Cosby, C, Demiragli, Z, Fontanesi, E, Gastler, D, May, S, Rohlf, J, Salyer, K, Sperka, D, Spitzbart, D, Suarez, I, Tsatsos, A, Yuan, S, Zou, D, Benelli, G, Burkle, B, Coubez, X, Cutts, D, Hadley, M, Heintz, U, Hogan, J, Kwon, T, Landsberg, G, Lau, K, Li, D, Lukasik, M, Luo, J, Narain, M, Pervan, N, Sagir, S, Simpson, F, Usai, E, Wong, W, Yan, X, Yu, D, Zhang, W, Bonilla, J, Brainerd, C, Breedon, R, Calderon De La Barca Sanchez, M, Chertok, M, Conway, J, Cox, P, Erbacher, R, Haza, G, Jensen, F, Kukral, O, Lander, R, Mulhearn, M, Pellett, D, Regnery, B, Taylor, D, Yao, Y, Zhang, F, Bachtis, M, Cousins, R, Datta, A, Hamilton, D, Hauser, J, Ignatenko, M, Iqbal, M, Lam, T, Nash, W, Regnard, S, Saltzberg, D, Stone, B, Valuev, V, Chen, Y, Clare, R, Gary, J, Gordon, M, Hanson, G, Karapostoli, G, Long, O, Manganelli, N, Si, W, Wimpenny, S, Branson, J, Chang, P, Cittolin, S, Cooperstein, S, Deelen, N, Diaz, D, Duarte, J, Gerosa, R, Giannini, L, Guiang, J, Kansal, R, Krutelyov, V, Lee, R, Letts, J, Masciovecchio, M, Mokhtar, F, Pieri, M, Sathia Narayanan, B, Sharma, V, Tadel, M, Wurthwein, F, Xiang, Y, Yagil, A, Amin, N, Campagnari, C, Citron, M, Collura, G, Dorsett, A, Dutta, V, Incandela, J, Kilpatrick, M, Marsh, B, Mei, H, Oshiro, M, Quinnan, M, Richman, J, Sarica, U, Setti, F, Sheplock, J, Siddireddy, P, Stuart, D, Wang, S, Bornheim, A, Cerri, O, Dutta, I, Lawhorn, J, Lu, N, Mao, J, Newman, H, Nguyen, T, Spiropulu, M, Vlimant, J, Wang, C, Xie, S, Zhang, Z, Zhu, R, Alison, J, An, S, Andrews, M, Bryant, P, Ferguson, T, Harilal, A, Liu, C, Mudholkar, T, Paulini, M, Sanchez, A, Terrill, W, Cumalat, J, Ford, W, Hassani, A, Karathanasis, G, Macdonald, E, Patel, R, Perloff, A, Savard, C, Schonbeck, N, Stenson, K, Ulmer, K, Wagner, S, Zipper, N, Alexander, J, Bright-Thonney, S, Chen, X, Cheng, Y, Cranshaw, D, Hogan, S, Monroy, J, Patterson, J, Quach, D, Reichert, J, Reid, M, Ryd, A, Sun, W, Thom, J, Wittich, P, Zou, R, Albrow, M, Alyari, M, Apollinari, G, Apresyan, A, Apyan, A, Bauerdick, L, Berry, D, Berryhill, J, Bhat, P, Burkett, K, Butler, J, Canepa, A, Cerati, G, Cheung, H, Chlebana, F, Di Petrillo, K, Dickinson, J, Elvira, V, Feng, Y, Freeman, J, Gecse, Z, Gray, L, Green, D, Grunendahl, S, Gutsche, O, Harris, R, Heller, R, Herwig, T, Hirschauer, J, Jayatilaka, B, Jindariani, S, Johnson, M, Joshi, U, Klijnsma, T, Klima, B, Kwok, K, Lammel, S, Lincoln, D, Lipton, R, Liu, T, Madrid, C, Maeshima, K, Mantilla, C, Mason, D, Mcbride, P, Merkel, P, Mrenna, S, Nahn, S, Ngadiuba, J, Papadimitriou, V, Pastika, N, Pedro, K, Pena, C, Ravera, F, Reinsvold Hall, A, Ristori, L, Sexton-Kennedy, E, Smith, N, Soha, A, Spiegel, L, Stoynev, S, Strait, J, Taylor, L, Tkaczyk, S, Tran, N, Uplegger, L, Vaandering, E, Weber, H, Avery, P, Bourilkov, D, Cadamuro, L, Cherepanov, V, Field, R, Guerrero, D, Koenig, E, Konigsberg, J, Korytov, A, Lo, K, Matchev, K, Menendez, N, Mitselmakher, G, Muthirakalayil Madhu, A, Rawal, N, Rosenzweig, D, Rosenzweig, S, Shi, K, Wu, Z, Yigitbasi, E, Zuo, X, Adams, T, Askew, A, Habibullah, R, Hagopian, V, Johnson, K, Khurana, R, Kolberg, T, Martinez, G, Prosper, H, Schiber, C, Viazlo, O, Yohay, R, Zhang, J, Baarmand, M, Butalla, S, Elkafrawy, T, Hohlmann, M, Kumar Verma, R, Noonan, D, Rahmani, M, Yumiceva, F, Adams, M, Becerril Gonzalez, H, Cavanaugh, R, Dittmer, S, Evdokimov, O, Gerber, C, Hofman, D, Merrit, A, Mills, C, Oh, G, Roy, T, Rudrabhatla, S, Tonjes, M, Varelas, N, Viinikainen, J, Wang, X, Ye, Z, Alhusseini, M, Dilsiz, K, Emediato, L, Gandrajula, R, Koseyan, O, Merlo, J, Mestvirishvili, A, Nachtman, J, Ogul, H, Onel, Y, Penzo, A, Snyder, C, Tiras, E, Amram, O, Blumenfeld, B, Corcodilos, L, Davis, J, Gritsan, A, Kowalski, R, Kyriacou, S, Maksimovic, P, Roskes, J, Swartz, M, Vami, T, Abreu, A, Anguiano, J, Baldenegro Barrera, C, Baringer, P, Bean, A, Flowers, Z, Isidori, T, Khalil, S, King, J, Krintiras, G, Kropivnitskaya, A, Lazarovits, M, Le Mahieu, C, Lindsey, C, Marquez, J, Minafra, N, Murray, M, Nickel, M, Rogan, C, Royon, C, Salvatico, R, Sanders, S, Schmitz, E, Smith, C, Warner, Z, Williams, J, Wilson, G, Duric, S, Ivanov, A, Kaadze, K, Maravin, Y, Mitchell, T, Modak, A, Nam, K, Rebassoo, F, Wright, D, Adams, E, Baden, A, Baron, O, Belloni, A, Eno, S, Hadley, N, Jabeen, S, Kellogg, R, Koeth, T, Lai, Y, Lascio, S, Mignerey, A, Nabili, S, Palmer, C, Seidel, M, Skuja, A, Wang, L, Wong, K, Abercrombie, D, Andreassi, G, Bi, R, Busza, W, Cali, I, D'Alfonso, M, Eysermans, J, Freer, C, Gomez Ceballos, G, Goncharov, M, Harris, P, Hu, M, Klute, M, Kovalskyi, D, Krupa, J, Mironov, C, Paus, C, Rankin, D, Roland, C, Roland, G, Shi, Z, Stephans, G, Wang, Z, Wyslouch, B, Chatterjee, R, Evans, A, Hiltbrand, J, Joshi, B, Krohn, M, Kubota, Y, Mans, J, Revering, M, Rusack, R, Saradhy, R, Schroeder, N, Strobbe, N, Wadud, M, Bloom, K, Bryson, M, Claes, D, Fangmeier, C, Finco, L, Golf, F, Joo, C, Kravchenko, I, Reed, I, Siado, J, Snow, G, Tabb, W, Wightman, A, Yan, F, Zecchinelli, A, Agarwal, G, Bandyopadhyay, H, Hay, L, Iashvili, I, Kharchilava, A, Mclean, C, Nguyen, D, Pekkanen, J, Rappoccio, S, Williams, A, Alverson, G, Barberis, E, Haddad, Y, Han, Y, Hortiangtham, A, Krishna, A, Li, J, Lidrych, J, Madigan, G, Marzocchi, B, Morse, D, Nguyen, V, Orimoto, T, Parker, A, Skinnari, L, Tishelman-Charny, A, Wamorkar, T, Wang, B, Wisecarver, A, Wood, D, Bueghly, J, Chen, Z, Gilbert, A, Gunter, T, Hahn, K, Liu, Y, Odell, N, Schmitt, M, Velasco, M, Band, R, Bucci, R, Cremonesi, M, Das, A, Dev, N, Goldouzian, R, Hildreth, M, Hurtado Anampa, K, Jessop, C, Lannon, K, Lawrence, J, Loukas, N, Lutton, D, Mariano, J, Marinelli, N, Mcalister, I, Mccauley, T, Mcgrady, C, Mohrman, K, Moore, C, Musienko, Y, Ruchti, R, Townsend, A, Wayne, M, Zarucki, M, Zygala, L, Bylsma, B, Durkin, L, Francis, B, Hill, C, Nunez Ornelas, M, Wei, K, Winer, B, Yates, B, Addesa, F, Bonham, B, Das, P, Dezoort, G, Elmer, P, Frankenthal, A, Greenberg, B, Haubrich, N, Higginbotham, S, Kalogeropoulos, A, Kopp, G, Kwan, S, Lange, D, Marlow, D, Mei, K, Ojalvo, I, Olsen, J, Stickland, D, Tully, C, Norberg, S, Bakshi, A, Barnes, V, Chawla, R, Das, S, Gutay, L, Jones, M, Jung, A, Kondratyev, D, Koshy, A, Liu, M, Negro, G, Neumeister, N, Paspalaki, G, Piperov, S, Purohit, A, Schulte, J, Stojanovic, M, Thieman, J, Wang, F, Xiao, R, Xie, W, Dolen, J, Parashar, N, Acosta, D, Baty, A, Carnahan, T, Decaro, M, Dildick, S, Ecklund, K, Freed, S, Gardner, P, Geurts, F, Li, W, Padley, B, Redjimi, R, Rotter, J, Shi, W, Stahl Leiton, A, Zhang, L, Bodek, A, de Barbaro, P, Demina, R, Dulemba, J, Fallon, C, Ferbel, T, Galanti, M, Garcia-Bellido, A, Hindrichs, O, Khukhunaishvili, A, Ranken, E, Taus, R, Van Onsem, G, Chiarito, B, Chou, J, Gandrakota, A, Gershtein, Y, Halkiadakis, E, Hart, A, Heindl, M, Karacheban, O, Laflotte, I, Lath, A, Montalvo, R, Nash, K, Osherson, M, Salur, S, Schnetzer, S, Somalwar, S, Stone, R, Thayil, S, Thomas, S, Wang, H, Acharya, H, Delannoy, A, Fiorendi, S, Spanier, S, Bouhali, O, Dalchenko, M, Delgado, A, Eusebi, R, Gilmore, J, Huang, T, Kamon, T, Luo, S, Malhotra, S, Mueller, R, Overton, D, Rathjens, D, Safonov, A, Akchurin, N, Damgov, J, Hegde, V, Kunori, S, Lamichhane, K, Mengke, T, Muthumuni, S, Peltola, T, Volobouev, I, Whitbeck, A, Appelt, E, Greene, S, Gurrola, A, Johns, W, Melo, A, Padeken, K, Romeo, F, Sheldon, P, Tuo, S, Velkovska, J, Arenton, M, Cardwell, B, Cox, B, Cummings, G, Hakala, J, Hirosky, R, Joyce, M, Ledovskoy, A, Li, A, Neu, C, Perez Lara, C, Tannenwald, B, White, S, Poudyal, N, Black, K, Bose, T, Dasu, S, De Bruyn, I, Everaerts, P, Galloni, C, He, H, Herndon, M, Herve, A, Hussain, U, Lanaro, A, Loeliger, A, Loveless, R, Madhusudanan Sreekala, J, Mallampalli, A, Mohammadi, A, Pinna, D, Savin, A, Shang, V, Smith, W, Teague, D, Trembath-Reichert, S, Vetens, W, and CMS Collaboration

Subjects
2HDM, CMS, Physics, BSM, Higgs
Abstract

A search for a massive resonance X decaying to a pair of spin-0 bosons phi that themselves decay to pairs of bottom quarks, is presented. The analysis is restricted to the mass ranges m(phi) from 25 to 100 GeV and m(X) from 1 to 3 TeV. For these mass ranges, the decay products of each phi boson are expected to merge into a single large-radius jet. Jet substructure and flavor identification techniques are used to identify these jets. The search is based on CERN LHC proton-proton collision data at root s= 13 TeV, collected with the CMS detector in 2016-2018, corresponding to an integrated luminosity of 138fb(-1). Model-specific limits, where the two new particles arise from an extended Higgs sector, are set on the product of the production cross section and branching fraction for X -> phi phi -> (b (b) over bar)(b (b) over bar) as a function of the resonances' masses, where both the X -> phi phi and phi -> b (b) over bar branching fractions are assumed to be 100%. These limits are the first of their kind on this process, ranging between 30 and 1fb at 95% confidence level for the considered mass ranges. (c) 2022 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). Funded by SCOAP(3).

Published
2022

37. Trends in Breast Cancer Incidence, by Race, Ethnicity, and Age Among Women Aged ≥20 Years — United States, 1999–2018

Author

Ellington, Taylor D., Miller, Jacqueline W., Henley, S. Jane, Wilson, Reda J., Wu, Manxia, and Richardson, Lisa C.

Subjects
Adult, Health (social science), Epidemiology, Incidence, Health, Toxicology and Mutagenesis, Breast Neoplasms, General Medicine, Middle Aged, United States, Race Factors, Age Distribution, Health Information Management, Ethnicity, Humans, Female, Full Report, Registries, Centers for Disease Control and Prevention, U.S, Aged, SEER Program
Abstract

Breast cancer is commonly diagnosed among women, accounting for approximately 30% of all cancer cases reported among women.* A slight annual increase in breast cancer incidence occurred in the United States during 2013-2017 (1). To examine trends in breast cancer incidence among women aged ≥20 years by race/ethnicity and age, CDC analyzed data from U.S. Cancer Statistics (USCS) during 1999-2018. Overall, breast cancer incidence rates among women decreased an average of 0.3% per year, decreasing 2.1% per year during 1999-2004 and increasing 0.3% per year during 2004-2018. Incidence increased among non-Hispanic Asian or Pacific Islander women and women aged 20-39 years and decreased among non-Hispanic White women and women aged 50-64 and ≥75 years. The U.S. Preventive Services Task Force currently recommends biennial screening mammography for women aged 50-74 years (2). These findings suggest that women aged 20-49 years might benefit from discussing potential breast cancer risk and ways to reduce risk with their health care providers. Further examination of breast cancer trends by demographic characteristics might help tailor breast cancer prevention and control programs to address state- or county-level incidence rates

Published
2022

40. Hypertension contributes to exacerbated osteoarthritis pathophysiology in rats in a sex-dependent manner

Author

Taylor D. Yeater, Jacob L. Griffith, Carlos J. Cruz, Folly M. Patterson, Jessica L. Aldrich, and Kyle D. Allen

Abstract

Background Hypertension is a common comorbidity of osteoarthritis (OA) with known autonomic dysregulation; thus, the autonomic nervous system may provide a shared underlying mechanism. The objective of this study was to examine the role of the autonomic nervous system in a preclinical model of OA and hypertension. Methods Experiments were conducted in spontaneously hypertensive rats and a normotensive control strain, including male and female rats. OA was surgically induced via medial meniscus transection with skin incision used as a sham control (n = 7–8/strain/sex/surgery). Tactile sensitivity, anxiety-related behavior, and serum corticosterone were measured at baseline then bi-weekly across 8 weeks. At weeks 9–10, cardiovascular responses to a chemical vagal nerve agonist were determined to indirectly evaluate vagus nerve function. The joint structure was assessed via grading of histological sections. Results In males, OA resulted in thinner cartilage in both hypertensive (OA vs. non-OA p < 0.001) and normotensive (OA vs. non-OA p < 0.001). Only females with comorbid hypertension and OA displayed thinner cartilage (p = 0.013). Male hypertensive OA animals had increased calcified subchondral bone compared to normotensive OA animals (p = 0.043) while female hypertensive OA animals had increased calcified subchondral bone compared to hypertensive sham animals (p < 0.001). All MCLT+MMT groups developed low-grade synovitis; interestingly, hypertensive OA females had higher synovitis scores than normotensive OA females (p = 0.046). Additionally, hypertension led to larger drops in blood pressure with vagal activation in both OA (hypertensive vs. normotensive p = 0.018) and sham (hypertensive vs. normotensive p < 0.001) male animals. In females, this trend held true only in OA animals (normotensive vs. hypertensive p = 0.005). Conclusion These data provide preliminary evidence that hypertension influences OA progression and encourages further study into the autonomic nervous system as a possible mechanism.

Published
2023

41. Materials Science Optimization Benchmark Dataset for Multi-fidelity Hard-sphere Packing Simulations

Author

Sterling G. Baird and Taylor D. Sparks

Abstract

Benchmarks are an essential driver of progress in scientific disciplines. Ideal benchmarks mimic real-world tasks as closely as possible, where insufficient difficulty or applicability can stunt growth in the field. Benchmarks should also have sufficiently low computational overhead to promote accessibility and repeatability. The goal is then to win a “Turing test” of sorts by creating a surrogate model that is indistinguishable from the ground truth observation (at least within the dataset bounds that were explored), necessitating a large amount of data. In materials science and chemistry, industry-relevant optimization tasks are often hierarchical, noisy, multi-fidelity, multi-objective, high-dimensional, and non-linearly correlated while exhibiting mixed numerical and categorical variables subject to linear and non-linear constraints. To complicate matters, unexpected, failed simulation or experimental regions may be present in the search space. In this study, 438371 random hard-sphere packing simulations representing 279 CPU days’ worth of computational overhead were performed across nine input parameters with linear constraints and two discrete fidelities each with continuous fidelity parameters and results were logged to a free-tier shared MongoDB Atlas database. Two core tabular datasets resulted from this study: 1. a failure probability dataset containing unique input parameter sets and the estimated probabilities that the simulation will fail at each of the two steps, and 2. a regression dataset mapping input parameter sets (including repeats) to particle packing fractions and computational runtimes for each of the two steps. These two datasets can be used to create a surrogate model as close as possible to running the actual simulations by incorporating simulation failure and heteroskedastic noise. For the regression dataset, percentile ranks were computed within each of the groups of identical parameter sets to enable capturing heteroskedastic noise. This contrasts with a more traditional approach that imposes a-priori assumptions such as Gaussian noise, e.g., by providing a mean and standard deviation. A similar approach can be applied to other benchmark datasets to bridge the gap between optimization benchmarks with low computational overhead and realistically complex, real-world optimization scenarios.

Published
2023

42. Build instructions for Closed-loop Spectroscopy Lab: Light-mixing Demo

Author

Sterling G. Baird and Taylor D. Sparks

Abstract

Closed-loop Spectroscopy Lab: Light-mixing Demo (CLSLab:Light) is a teaching and prototyping platform for autonomous scientific discovery. It consists of a set of LEDs and a light sensor while encapsulating key principles for "self-driving" (i.e., autonomous) research laboratories, including sending commands, receiving sensor data, physics-based simulation, and advanced optimization. CLSLab:Light is a "Hello, World!" introduction to these topics, accessible by students, educators, hobbyists, and researchers for less than 100 USD, a small footprint, and under an hour of setup time.

Published
2023

48. Optimizing Fractional Compositions to Achieve Extraordinary Properties

Author

Steven K. Kauwe, Andrew R. Falkowski, and Taylor D. Sparks

Subjects
Mathematical optimization, Property (programming), Computer science, Robustness (computer science), Materials informatics, Inverse, General Materials Science, Function (mathematics), Composition (combinatorics), Element (category theory), Focus (optics), Industrial and Manufacturing Engineering
Abstract

Traditional, data-driven materials discovery involves screening chemical systems with machine learning algorithms and selecting candidates that excel in a target property. The number of screening candidates grows infinitely large as the fractional resolution of compositions the number of included elements increases. The computational infeasibility and probability of overlooking a successful candidate grow likewise. Our approach shifts the optimization focus from model parameters to the fractions of each element in a composition. Using a pretrained network, CrabNet, and writing a custom loss function to govern a vector of element fractions, compositions can be optimized such that a predicted property is maximized or minimized. Single and multi-property optimization examples are presented that highlight the capabilities and robustness of this approach to inverse design.

Published
2021

50. Synthesis of a Constitutional Isomer of Armeniaspirol A, Pseudoarmeniaspirol A, via Lewis Acid-Mediated Rearrangement

Author

Michael G. Darnowski, Taylor D. Lanosky, André R. Paquette, and Christopher N. Boddy

Subjects
Biological Products, Lactams, Organic Chemistry, Pyrroles, Ketones, Lewis Acids, Anti-Bacterial Agents
Abstract

The natural product armeniaspirol possesses a unique spirocyclic N,O-ketal in an α,β-dichloro-α,β-unsaturated lactam scaffold that has proved challenging to synthesize. Herein, we characterize the oxidative chlorination of pyrrole-2-carboxylate derivatives that rapidly generates this scaffold. The scope of this oxidation was extended to a series of esters and amides. Pyrrole-2-ketones could not be converted into the lactam due to an oxidative fragmentation. This result was unexpected since chloro-armeniaspirol has been synthesized via oxidative chlorination of a pyrrole-2-ketone. Examination of this successful oxidation showed that the desired scaffold was accessed due to intramolecular trapping from the neighboring free phenol, preventing fragmentation. Using the product of methyl

Published
2022

Catalog

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