cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
sj-pdf-1-crd-10.1177_14799731211038673 – Supplemental Material for Free diving-inspired breathing techniques for COPD patients: A pilot study
Creators: name: Borg, Morten
name: Thastrup, Tue
name: Larsen, Kurt L
name: Overgaard, Kristian
name: Hilberg, Ole
name: Løkke, Anders
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111702 Aged Health Care
subject: FOS: Health sciences
subject: 110203 Respiratory Diseases
subject: FOS: Clinical medicine

description: Supplemental Material, sj-pdf-1-crd-10.1177_14799731211038673 for Free diving-inspired breathing techniques for COPD patients: A pilot study by Morten Borg, Tue Thastrup, Kurt L Larsen, Kristian Overgaard, Ole Hilberg and Anders Løkke in Chronic Respiratory Disease
sj-docx-1-scx-10.1177_10755470211036676 – Supplemental material for A Relational Identity-Based Solution to Group Polarization: Can Priming Parental Identity Reduce the Partisan Gap in Attitudes Toward the COVID-19 Pandemic
Creators: name: Zeng, Chen
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 200199 Communication and Media Studies not elsewhere classified
subject: FOS: Media and communications
subject: Science Policy

description: Supplemental material, sj-docx-1-scx-10.1177_10755470211036676 for A Relational Identity-Based Solution to Group Polarization: Can Priming Parental Identity Reduce the Partisan Gap in Attitudes Toward the COVID-19 Pandemic by Chen Zeng in Science Communication
Hyperquot schemes on curves: virtual class and motivic invariants
Creators: name: Monavari, Sergej
name: Ricolfi, Andrea T.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Algebraic Geometry (math.AG)
subject: FOS: Mathematics

description: Let $C$ be a smooth projective curve, $E$ a locally free sheaf. Hyperquot schemes on $C$ parametrise flags of coherent quotients of $E$ with fixed Hilbert polynomial, and offer alternative compactifications to the spaces of maps from $C$ to partial flag varieties. Motivated by enumerative geometry, in this paper we construct a perfect obstruction theory (and hence a virtual class and a virtual structure sheaf) on these moduli spaces, which we use to provide criteria for smoothness and unobstructedness. Under these assumptions, we determine their motivic partition function in the Grothendieck ring of varieties, in terms of the motivic zeta function of $C$.
description: 37 pages. Final version, to appear in Mathematische Annalen
Network reconstruction via the minimum description length principle
Creators: name: Peixoto, Tiago P.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Machine Learning (stat.ML)
subject: Machine Learning (cs.LG)
subject: Social and Information Networks (cs.SI)
subject: Data Analysis, Statistics and Probability (physics.data-an)
subject: Populations and Evolution (q-bio.PE)
subject: FOS: Computer and information sciences
subject: FOS: Physical sciences
subject: FOS: Biological sciences

description: A fundamental problem associated with the task of network reconstruction from dynamical or behavioral data consists in determining the most appropriate model complexity in a manner that prevents overfitting, and produces an inferred network with a statistically justifiable number of edges. The status quo in this context is based on $L_{1}$ regularization combined with cross-validation. However, besides its high computational cost, this commonplace approach unnecessarily ties the promotion of sparsity with weight "shrinkage". This combination forces a trade-off between the bias introduced by shrinkage and the network sparsity, which often results in substantial overfitting even after cross-validation. In this work, we propose an alternative nonparametric regularization scheme based on hierarchical Bayesian inference and weight quantization, which does not rely on weight shrinkage to promote sparsity. Our approach follows the minimum description length (MDL) principle, and uncovers the weight distribution that allows for the most compression of the data, thus avoiding overfitting without requiring cross-validation. The latter property renders our approach substantially faster to employ, as it requires a single fit to the complete data. As a result, we have a principled and efficient inference scheme that can be used with a large variety of generative models, without requiring the number of edges to be known in advance. We also demonstrate that our scheme yields systematically increased accuracy in the reconstruction of both artificial and empirical networks. We highlight the use of our method with the reconstruction of interaction networks between microbial communities from large-scale abundance samples involving in the order of $10^{4}$ to $10^{5}$ species, and demonstrate how the inferred model can be used to predict the outcome of interventions in the system.
description: 18 pages, 9 figures. Code and documentation are available at https://graph-tool.skewed.de/static/doc/demos/reconstruction_indirect/reconstruction.html
Supplemental Material, sj-docx-1-spp-10.1177_19485506211029767 - Justice and Inclusion Mutually Cause Each Other
Creators: name: Martin, Chris C.
name: Zyphur, Michael J.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental Material, sj-docx-1-spp-10.1177_19485506211029767 for Justice and Inclusion Mutually Cause Each Other by Chris C. Martin and Michael J. Zyphur in Social Psychological and Personality Science
Tunable non-Markovian dynamics in a collision model: an application to coherent transport
Creators: name: Rijavec, Simone
name: Di Pietra, Giuseppe
Publisher: name: arXiv
Year: 2024
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We propose a collision model to investigate the information dynamics of a system coupled to an environment with varying degrees of non-Markovianity. We control the degree of non-Markovianity by applying a depolarising channel to a fixed and rigid reservoir of qubits. We characterise the effect of the depolarising channel and apply the model to study the coherent transport of information on a chain of three interacting qubits. We show how the system-environment coupling probability and the degree of non-Markovianity affect the process. Interestingly, in some cases a Markovian environment is preferable to reduce information loss and enhance the coherent transport.
Supplemental Material, sj-pdf-5-jpx-10.1177_23743735211034032 - Assessing Shared Decision-Making in Cystic Fibrosis Care Using collaboRATE: A Cross-Sectional Study of 159 Programs
Creators: name: Homa, Karen
name: Stevens, Gabrielle
name: Forcino, Rachel
name: Scalia, Peter
name: Mertz, Pamela
name: Elwyn, Glyn
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: Medicine

description: Supplemental Material, sj-pdf-5-jpx-10.1177_23743735211034032 for Assessing Shared Decision-Making in Cystic Fibrosis Care Using collaboRATE: A Cross-Sectional Study of 159 Programs by Karen Homa, Gabrielle Stevens, Rachel Forcino, Peter Scalia, Pamela Mertz and Glyn Elwyn in Journal of Patient Experience
THE FREQUENCY OF AND FACTORS ASSOCIATED WITH INADVERTENT CONTACTS DURING OBSTACLE CROSSING IN OLDER ADULTS
Creators: name: Becker, Timothy P
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Clinical microbiology

description: Occasionally healthy older adults trip over stationary objects even when seen well in advance. These are known as “inadvertent” trips. The purpose of this study was to determine the prevalence of inadvertent trips in older males and older females under conditions of normal vision with good lighting. We also determined their relationship with unobstructed gait measures and other risk factors associated with falls during everyday activities. Forty-one subjects stepped over an obstacle (height set to 25% of leg length) 100 times. The obstacle was contacted by 15 participants (37%) in a total of 29 trials (0.7% of all trials). Of the 29 obstacle contacts, 52% occurred with lead limb. There was no difference in the frequency of contacts between males and females. Slower stride speed, shorter stride length, and increased gait cycle time variability during unobstructed walking were associated with contacts during the obstacle crossing trials (p < 0.041). Inadvertent trips were also associated with the number of prescription medications taken by participants (p = 0.019) and participants’ maximum reported rating-of-fatigue (p = 0.022). Fatigue was an important factor and 36 subjects (88%) reported an increase in their fatigue across trials highlighting the importance of considering fatigue in all obstacle crossing studies using older adults. We conclude that inadvertent trips are not uncommon in older adults and point to useful future areas of research and risk factors that could be targeted by fall intervention programs
Nucleation and growth manifest universal scaling, surely
Creators: name: Zhong, Fan
Publisher: name: arXiv
Year: 2024
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: When a system is brought to a metastable state, nuclei of the equilibrium phase form and grow. This is the well-known nucleation and growth of first-order phase transitions. Near a critical point of a continuous phase transition, critical phenomena such as critical opalescence characterized by universal scaling emerge. These two sets of behavior are so completely different that it might appear absurd to ask whether nucleation and growth exhibit even a slight universal scaling. Here we show that universal scaling is indeed manifested in standard nucleation and growth by introducing a non-universal initial time to a recently proposed method. This generalizes the method and provides a different perspective for studying universal scaling behavior and hence universality classes of nucleation and growth.
description: 5 pages, 2 figures
Additional file 1 of METTL3-induced lncRNA GBAP1 promotes hepatocellular carcinoma progression by activating BMP/SMAD pathway
Creators: name: Liu, Runkun
name: Yin, Guozhi
name: Tuo, Hang
name: Guo, Yixian
name: Zhu, Yifeng
name: Zhang, Lei
name: Yang, Wei
name: Liu, Qingguang
name: Wang, Yufeng
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 1. Supplementary figures and methods.
title: TUNING FE-BASED CATALYSTS FOR ENHANCED HYDRODEOXYGENATION
title: AN ATOMISTIC APPROACH
titleType: Subtitle
Creators: name: Onyango, Isaac
Publisher: name: Washington State University
Year: 2024
Subjects: Fe-based catalysts
atomistic
hydrodeoxygenation

description: Bio-oils from biomass are a compelling alternative to fossil-based fuels. Biomass is converted into bio-oil via fast pyrolysis. However, bio-oils derived by pyrolysis need upgrading to increase their usability and hydrodeoxygenation (HDO) is a promising means of upgrading the bio-oils. Fe-based catalysts have been demonstrated to be highly selective HDO catalysts. This dissertation investigates Fe-based catalysts with the aim of gaining fundamental insights into how they can be tailored for the design of long lasting, cost efficient and highly selective HDO catalysts. The work is predominantly from an atomistic perspective using atomistic models based on density functional theory. It is important to account for coverage effects in theoretical modelling as they have a
description: significant impact on thermodynamics and kinetic properties of surface reactions. Chapter 3 covers the various methods used to capture coverage effects in heterogeneous catalysis and Chapter 4 demonstrates of how coverage effects influence spatial arrangements of adsorbates using propylene on Cu(111). Fe-based catalysts are covered in Chapters 5 through 8.
description: In Chapter 5, we quantify the interaction of carbon on Fe(100) and use DFT-parameterized lattice gas cluster expansion (LG CE) to account for coverage effects. This study provides great insight into coke formation, a phenomenon which leads to catalysts deactivation, during HDO. In Chapter 6, we determine the distribution of four precious metals (Pt, Pd, Rh, and Ru) on Fe(100) using LG CEs. These precious metals have been demonstrated to protect Fe-based catalysts from oxidative deactivation and also enhance the activity of the catalysts for the HDO of phenolics. Our results show that the four metals have very distinct distributions and ground states, and thus the reaction environment for the HDO depends on the nature of the precious metal used to promote the Fe-
description: based catalyst. In Chapter 7, we mechanistically study the tautomerization of phenol on an alkali-promoted Fe(110) surface. By comparing tautomerization to the direct C-O bond cleavage mechanism, we gain fundamental insights into the improved selectivity towards arenes during HDO of phenol on alkali-promoted Fe catalysts. In Chapter 8 we determined the impact of electric fields on the oxidation of Fe. Our results show that the initial oxidation kinetics show that strong increases in electric fields facilitate the formation of an oxide, but as one approaches equilibrium, high fields mitigate oxide formation. This study demonstrates that electric fields are a viable knob to use in order to mitigate oxidative deactivation during HDO reactions.
MPEC 2024-O33 : 2019 GP187
Creators: name: Minor Planet Center Staff
Publisher: name: The Minor Planet Center
Year: 2024
Subjects: subject: Small Solar System bodies
valueUri: http://astrothesaurus.org/uat/1469
subject: 2019 GP187

description: The Minor Planet Electronic Circulars contain information on unusual minor planets, routine data on comets and natural satellites, and occasional editorial announcements.  They are published on behalf of Division F of the International Astronomical Union by the Minor Planet Center, Smithsonian Astrophysical Observatory, Cambridge, MA 02138, U.S.A.
sj-pdf-2-chc-10.1177_13674935211015085 – Supplemental Material for Association between poor sleep for infants to two years and subsequent mental health symptoms: A systematic review and meta-analysis
Creators: name: Mah, Beth L
name: Larkings, Kate
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: 111099 Nursing not elsewhere classified
subject: 111403 Paediatrics
subject: FOS: Clinical medicine

description: Supplemental Material, sj-pdf-2-chc-10.1177_13674935211015085 for Association between poor sleep for infants to two years and subsequent mental health symptoms: A systematic review and meta-analysis by Beth L Mah and Kate Larkings in Journal of Child Health Care
Randomized block coordinate descent method for linear ill-posed problems
Creators: name: Jin, Qinian
name: Liu, Duo
Publisher: name: arXiv
Year: 2024
Subjects: subject: Numerical Analysis (math.NA)
subject: Optimization and Control (math.OC)
subject: FOS: Mathematics
subject: 65J20, 65J22, 65J10, 94A08

description: Consider the linear ill-posed problems of the form $\sum_{i=1}^{b} A_i x_i =y$, where, for each $i$, $A_i$ is a bounded linear operator between two Hilbert spaces $X_i$ and ${\mathcal Y}$. When $b$ is huge, solving the problem by an iterative method using the full gradient at each iteration step is both time-consuming and memory insufficient. Although randomized block coordinate decent (RBCD) method has been shown to be an efficient method for well-posed large-scale optimization problems with a small amount of memory, there still lacks a convergence analysis on the RBCD method for solving ill-posed problems. In this paper, we investigate the convergence property of the RBCD method with noisy data under either {\it a priori} or {\it a posteriori} stopping rules. We prove that the RBCD method combined with an {\it a priori} stopping rule yields a sequence that converges weakly to a solution of the problem almost surely. We also consider the early stopping of the RBCD method and demonstrate that the discrepancy principle can terminate the iteration after finite many steps almost surely. For a class of ill-posed problems with special tensor product form, we obtain strong convergence results on the RBCD method. Furthermore, we consider incorporating the convex regularization terms into the RBCD method to enhance the detection of solution features. To illustrate the theory and the performance of the method, numerical simulations from the imaging modalities in computed tomography and compressive temporal imaging are reported.
sj-pdf-1-ajs-10.1177_03635465211028566 – Supplemental material for Synthetic PVA Osteochondral Implants for the Knee Joint: Mechanical Characteristics During Simulated Gait
Creators: name: Chen, Tony
name: Brial, Caroline
name: McCarthy, Moira
name: Warren, Russell F.
name: Maher, Suzanne A.
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 110314 Orthopaedics
subject: FOS: Clinical medicine
subject: 110604 Sports Medicine
subject: FOS: Health sciences
subject: 110323 Surgery

description: Supplemental material, sj-pdf-1-ajs-10.1177_03635465211028566 for Synthetic PVA Osteochondral Implants for the Knee Joint: Mechanical Characteristics During Simulated Gait by Tony Chen, Caroline Brial, Moira McCarthy, Russell F. Warren and Suzanne A. Maher in The American Journal of Sports Medicine
Essays in Firm-Level Patenting Activities and Financial Outcomes
Creators: name: Woeppel, Michael J
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Finance

description: In Chapter 1, I construct a new proxy for Tobin's q that incorporates the replacement cost of patent capital. This proxy, PI (physical plus intangible) q, explains up to 64\% more variation in investment than other proxies for q. Furthermore, investment is more sensitive to PI q than to other proxies for q. Although investment is predicted more accurately by, and is more sensitive to, PI q, controlling for PI q leads to relatively higher, not lower, cash flow coefficients. All results are stronger in subsamples with more patent capital. Overall, using PI q strengthens the historically weak investment-q relation.
 Chapter 2 includes Noah Stoffman and M. Deniz Yavuz as co-authors, and in this chapter, we find that small innovators (i.e., small, innovative firms) earn higher returns than small non-innovators for up to five years. We find no such innovative premium among large firms. A battery of tests shows that our results are explained by risk, not investor underreaction. Small innovators are especially risky because they focus more on risky product innovation and rely more on organization capital that amplifies their systematic risk. In addition, small innovators contribute significantly to the size premium. Overall, small innovators have a higher cost of equity, which potentially explains why they rely heavily on internal capital.
Einstein's perihelion formula and its generalization
Creators: name: D'Eliseo, Maurizio M.
Publisher: name: arXiv
Year: 2025
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences
subject: yes

description: Einstein's perihelion advance formula can be given a geometric interpretation in terms of the curvature of the ellipse. The formula can be obtained by splitting the constant term of an auxiliary polar equation for an elliptical orbit into two parts that, when combined, lead to the expression of this relativistic effect. Using this idea, we develop a general method for dealing with orbital precession in the presence of central perturbing forces, and apply the method to the determination of the total (relativistic plus Newtonian) secular perihelion advance of the planet Mercury.
sj-pdf-1-jcm-10.1177_00219983211038621 - Supplemental material for Effect of the variation of the electrodeposition time of hydroxyapatite/chitosan coatings on AISI 316L SS
Creators: name: Louvier-Hernández, JF
name: García, E
name: Mendoza-Leal, G
name: Flores-Flores, T
name: Flores-Martínez, M
name: Rodríguez de Anda, E
name: Hernández-Navarro, C
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 91299 Materials Engineering not elsewhere classified
subject: FOS: Materials engineering

description: Supplemental material, sj-pdf-1-jcm-10.1177_00219983211038621 for Effect of the variation of the electrodeposition time of hydroxyapatite/chitosan coatings on AISI 316L SS by JF Louvier-Hernández, E García, G Mendoza-Leal, T Flores-Flores, M Flores-Martínez, E Rodríguez de Anda and C Hernández-Navarro in Journal of Composite Materials
sj-pdf-2-cph-10.1177_17151635211034530 – Supplemental material for Pharmacists’ perceptions of the Canadian opioid regulatory exemptions on patient care and opioid stewardship
Creators: name: Bishop, Lisa D.
name: Rosenberg-Yunger, Zahava R. S.
name: Dattani, Shelita
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: FOS: Clinical medicine

description: Supplemental material, sj-pdf-2-cph-10.1177_17151635211034530 for Pharmacists’ perceptions of the Canadian opioid regulatory exemptions on patient care and opioid stewardship by Lisa D. Bishop, Zahava R. S. Rosenberg-Yunger and Shelita Dattani in Canadian Pharmacists Journal / Revue des Pharmaciens du Canada
Supplemental Material, sj-docx-1-tpx-10.1177_01926233211037932 - Anatomic and Clinical Pathology Characterization of Drug-Induced Sinusoidal Obstruction Syndrome (Veno-Occlusive Disease) in Cynomolgus Macaques
Creators: name: Kohnken, Rebecca
name: Falahatpisheh, Hadi
name: Janardhan, Kyathanahalli S.
name: Guffroy, Magali
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: FOS: Clinical medicine

description: Supplemental Material, sj-docx-1-tpx-10.1177_01926233211037932 for Anatomic and Clinical Pathology Characterization of Drug-Induced Sinusoidal Obstruction Syndrome (Veno-Occlusive Disease) in Cynomolgus Macaques by Rebecca Kohnken, Hadi Falahatpisheh, Kyathanahalli S. Janardhan and Magali Guffroy in Toxicologic Pathology
High-order Discontinuous Galerkin Methods for the Monodomain and Bidomain Models
Creators: name: Botta, Federica
name: Calafà, Matteo
name: Africa, Pasquale C.
name: Vergara, Christian
name: Antonietti, Paola F.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics
subject: 65N30, 65M60

description: This work aims at presenting a Discontinuous Galerkin (DG) formulation employing a spectral basis for two important models employed in cardiac electrophysiology, namely the monodomain and bidomain models. The use of DG methods is motivated by the characteristic of the mathematical solution of such equations which often corresponds to a highly steep wavefront. Hence, the built-in flexibility of discontinuous methods in developing adaptive approaches, combined with the high-order accuracy, can well represent the underlying physics. The choice of a semi-implicit time integration allows for a fast solution at each time step. The article includes some numerical tests to verify the convergence properties and the physiological behaviour of the numerical solution. Also, a pseudo-realistic simulation turns out to fully reconstruct the propagation of the electric potential, comprising the phases of depolarization and repolarization, by overcoming the typical issues related to the steepness of the wave front.
sj-pdf-1-sim-10.1177_00375497211040074 – Supplemental material for Tissue scale agent-based simulation of premalignant progressions in Barrett’s esophagus
Creators: name: Ozmen, Ozgur
name: Nutaro, James
name: Ostvar, Sassan
name: Hur, Chin
name: Kong, Chung Yin
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 99999 Engineering not elsewhere classified
subject: FOS: Other engineering and technologies
subject: Science Policy

description: Supplemental material, sj-pdf-1-sim-10.1177_00375497211040074 for Tissue scale agent-based simulation of premalignant progressions in Barrett’s esophagus by Ozgur Ozmen, James Nutaro, Sassan Ostvar, Chin Hur and Chung Yin Kong in SIMULATION
sj-docx-1-qjp-10.1177_17470218211037474 – Supplemental material for Curiosity-driven learning in adults with and without dyslexia
Creators: name: Garvin, Bethany
name: Krishnan, Saloni
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental material, sj-docx-1-qjp-10.1177_17470218211037474 for Curiosity-driven learning in adults with and without dyslexia by Bethany Garvin and Saloni Krishnan in Quarterly Journal of Experimental Psychology
sj-pdf-1-cpj-10.1177_00099228211039951 – Supplemental material for Is the Childless Pediatrician Less Confident? Assessment of Physician Confidence in Providing Parenting Advice and Introduction of a Novel Approach to Anticipatory Guidance Training
Creators: name: Corredor, Margarita M.
name: Thorvilson, Megan
name: Ristagno, Elizabeth H.
name: Pittock, Siobhan
name: Kellund, Anna
name: Homme, Jason
name: Creo, Ana
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111403 Paediatrics
subject: FOS: Clinical medicine

description: Supplemental material, sj-pdf-1-cpj-10.1177_00099228211039951 for Is the Childless Pediatrician Less Confident? Assessment of Physician Confidence in Providing Parenting Advice and Introduction of a Novel Approach to Anticipatory Guidance Training by Margarita M. Corredor, Megan Thorvilson, Elizabeth H. Ristagno, Siobhan Pittock, Anna Kellund, Jason Homme and Ana Creo in Clinical Pediatrics
INVESTIGATION OF THE PROTONATION SITES IN POLYFUNCTIONAL ANALYTES UPON ATMOSPHERIC PRESSURE IONIZATION IN MASS SPECTROMETRY AND STUDIES OF THE REACTIVITIES OF RADICALS IN THE GAS PHASE AND SOLUTION
Creators: name: Kumar, Rashmi
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Organic chemistry not elsewhere classified
Analytical chemistry not elsewhere classified
Physical organic chemistry

description: High resolution tandem mass spectrometry (MSn) coupled with various separation techniques, such as high-performance liquid chromatography (HPLC) and gas chromatography (GC), is widely used to analyze mixtures of unknown organic compounds. In a mass spectrometric analysis, analytes of interest are at first transferred into the gas phase, ionized (protonated or deprotonated) and introduced into the instrument. Tandem mass spectrometric experiments may then be used to gain insights into structure and reactivity of the analyte ions in the gas phase. The tandem mass spectral data are often compared to those reported in external databases. However, the tandem mass spectra obtained for protonated analytes may be markedly different from those in external databases because protonation site manifested during a mass spectrometric experiment can be affected by the ionization technique, ionization solvents and condition of the ion source. This thesis focuses on investigating the effects of instrumental conditions and analyte concentrations on the protonation sites of 4-aminobenzoic acid. Reactivities of radical species were also investigated. A modified bracketing method was developed and proton affinities of a series of mono- and biradicals of pyridine were measured. In another study, a para-benzyne analog was generated in both solution and the gas phase and its reactivities towards various neutral reagents in the gas phase were compared to those in solution. Chapter 2 discusses the fundamental aspects of the instruments used in this research. In chapter 3, the effects of residual moisture in linear quadrupole ion trap on the protonation sites of 4-aminobenzoic acid are considered. Chapter 4 focuses on the use of gas-phase ion-molecule reactions with trimethoxymethylsilane (TMMS) for the identification of the protonation sites of 4-aminobenzoic acid. Further, the effects of analyte concentration on the protonation sites of 4-aminobenzoic acid are considered. Chapter 5 introduces a modified bracketing method for the experimental determination of proton affinities of a series of pyridine-based mono- and biradicals. In chapter 6, successful generation of para-benzynes in solution is discussed. The reactivity of a para-benzyne analog, 1,4-didehydrophenazine, is compared to its reactivity in the gas phase.
sj-pdf-1-jcb-10.1177_0271678X211037266 - Supplemental material for A line through the brain: implementation of human line-scanning at 7T for ultra-high spatiotemporal resolution fMRI
Creators: name: Raimondo, Luisa
name: Knapen, Tomas
name: Oliveira, ĺcaro A.F
name: Yu, Xin
name: Dumoulin, Serge O
name: van der Zwaag, Wietske
name: Siero, Jeroen C.W
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: Emergency Medicine
subject: Endocrinology
subject: Medicine
subject: Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine
subject: Radiology and Organ Imaging
subject: Cell Biology
subject: Biochemistry
subject: Biological Sciences not elsewhere classified
subject: Neuroscience

description: Supplemental material, sj-pdf-1-jcb-10.1177_0271678X211037266 for A line through the brain: implementation of human line-scanning at 7T for ultra-high spatiotemporal resolution fMRI by Luisa Raimondo, Tomas Knapen, ĺcaro A.F Oliveira, Xin Yu, Serge O Dumoulin, Wietske van der Zwaag and Jeroen C.W Siero in Journal of Cerebral Blood Flow & Metabolism
Multidimensional Quantum Generative Modeling by Quantum Hartley Transform
Creators: name: Wu, Hsin-Yu
name: Elfving, Vincent E.
name: Kyriienko, Oleksandr
Publisher: name: arXiv
Year: 2024
Subjects: subject: Quantum Physics (quant-ph)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: We develop an approach for building quantum models based on the exponentially growing orthonormal basis of Hartley kernel functions. First, we design a differentiable Hartley feature map parametrized by real-valued argument that enables quantum models suitable for solving stochastic differential equations and regression problems. Unlike the naturally complex Fourier encoding, the proposed Hartley feature map circuit leads to quantum states with real-valued amplitudes, introducing an inductive bias and natural regularization. Next, we propose a quantum Hartley transform circuit as a map between computational and Hartley basis. We apply the developed paradigm to generative modeling from solutions of stochastic differential equations, and utilize the quantum Hartley transform for fine sampling from parameterized distributions through an extended register. Finally, we present tools for implementing multivariate quantum generative modeling for both correlated and uncorrelated distributions. As a result, the developed quantum Hartley models offer a distinct quantum approach to generative AI at increasing scale.
A FRAMEWORK TO INVESTIGATE KEY CHARACTERISTICS OF DIGITAL TWINS AND THEIR IMPACT ON PERFORMANCE
Creators: name: Kim, Edwin S
Publisher: name: Purdue University Graduate School
Year: 2022
Subjects: Modelling and simulation
Manufacturing processes and technologies (excl. textiles)
Manufacturing engineering not elsewhere classified
Manufacturing management

description: The modern world of manufacturing is in the middle of an industrial revolution with the digital and physical worlds integrating through cyber-physical systems. Through a virtual model that is able to communicate with its physical system known as the Digital Twin, catered decisions can be made based on the current state of the system. The digital twin presents immense opportunities and challenges as there is a greater need to understand how these new technologies work together.
 This thesis is an experimental investigation of the characteristics of the essential components of the Digital Twin. A Digital Twin Framework is developed to explore the impacts of model accuracy and update frequency on the system’s performance measure. A simple inventory management system and a more complex manufacturing plant is modeled through the framework providing a method to study the interactions of the physical and digital systems with empirical data.

 As the decision policies are affected by the state changes in the system, designing the Digital Twin must account for the direct and indirect impact of its components. Furthermore, we show the importance of communication and information exchange between the Digital Twin and its physical system. A key characteristic for developing and applying a digital twin is to monitor the update frequency and its impact on performance. Through the study there are implications of optimal combinations of the digital twin components and how the physical system responds. There are also limits to how effective the Digital Twin can be in certain instances and is an area of research that needs further investigation.
 The goal of this work is to help practitioners and researchers implement and use the Digital Twin more effectively. Better understanding the interactions of the model components will help guide designing Digital Twins to be more effective as they become an integral part of the future of manufacturing.
Metasurfaces for infrared multi-modal microscopy: phase contrast and bright field
Creators: name: Sulejman, Shaban B.
name: Wesemann, Lukas
name: McCormack, Mikkaela
name: Meng, Jiajun
name: Hutchison, James A.
name: Priscilla, Niken
name: McColl, Gawain
name: Read, Katrina
name: Sim, Wilson
name: Sukhorukov, Andrey A.
name: Crozier, Kenneth B.
name: Roberts, Ann
Publisher: name: arXiv
Year: 2024
Subjects: subject: Optics (physics.optics)
subject: Applied Physics (physics.app-ph)
subject: Biological Physics (physics.bio-ph)
subject: Medical Physics (physics.med-ph)
subject: FOS: Physical sciences

description: Different imaging modalities are used to extract the diverse information carried in an optical field. Two prominent modalities include bright field and phase contrast microscopy that can visualize the amplitude and phase features of a sample, respectively. However, capturing both of these images on the same camera typically requires interchanging optical components. Metasurfaces are ultra-thin nanostructures that can merge both of these operations into a single miniaturized device. Here, a silicon-based metasurface that supports a Mie resonance is demonstrated to perform near-infrared phase contrast and bright field multi-modal microscopy that can be tuned by changing the polarization of the illumination. We performed experiments using optical fields with phase variations synthesized by a spatial light modulator and introduced by propagation through semi-transparent samples, including C. elegans, unstained human prostate cancer cells and breast tissue. The results demonstrate the potential of metasurfaces for label-free point-of-care testing.
description: Main text 18 pages, 5 main figures, Supplementary information 19 pages, 19 supplementary figures, 2 supplementary videos
Halfway to the Peak: The JWST MIRI 5.6 micron number counts and source population
Creators: name: Sajkov, Leonid
name: Sajina, Anna
name: Pope, Alexandra
name: Alberts, Stacey
name: Armus, Lee
name: Farrah, Duncan
name: Lin, Jamie
name: Marchesini, Danilo
name: McKinney, Jed
name: Veilleux, Sylvain
name: Yan, Lin
name: Young, Jason
Publisher: name: arXiv
Year: 2024
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: We present an analysis of eight JWST Mid-Infrared Instrument (MIRI) 5.6 micron images with $5\,σ$ depths of ~0.1 uJy. We detect 2854 sources within our combined area of 18.4 square arcminutes. We compute the MIRI 5.6um number counts including an analysis of the field-to-field variation. Compared to earlier published MIRI 5.6 um counts, our counts have a more pronounced knee, at roughly 2 uJy. The location and amplitude of the counts at the knee are consistent with the Cowley et al. (2018) model predictions, although these models tend to overpredict the counts below the knee. In areas of overlap, 84% of the MIRI sources have a counterpart in the COSMOS2020 catalog. These MIRI sources have redshifts that are mostly in the $z\sim0.5-2$, with a tail out to $z\sim5$. They are predominantly moderate to low stellar masses ($10^8-10^{10}$M$_{\odot}$) main sequence star-forming galaxies, suggesting that with ~2hr exposures, MIRI can reach well below $M^*$ at cosmic noon and reach higher mass systems out to $z\sim5$. Nearly 70% of the COSMOS2020 sources in areas of overlap now have a data point at 5.6um (rest-frame near-IR at cosmic noon) which allows for more accurate stellar population parameter estimates. Finally, we discover 31 MIRI-bright sources not present in COSMOS2020. A cross-match with IRAC channel 1 suggests that 10-20% of these are likely lower mass (M$_*\approx10^9$M$_{\odot}$), $z\sim1$ dusty galaxies. The rest (80--90%) are consistent with more massive but still very dusty galaxies at $z>3$.
description: 24 pages, 15 figures, ApJ in press
title: Unraveling Arthropod Immunity
title: The unfolded protein response initiates the immune deficiency pathway in Ixodes scapularis ticks
titleType: Subtitle
Creators: name: Sidak-Loftis, Lindsay Catherine
Publisher: name: Washington State University
Year: 2025
Subjects: APEX2
Immune deficiency pathway
Ixodes scapularis
Tick-born diseas
unfolded protein response
Vector Immunity

description: Arthropod immunity impacts vector competency, which is the ability of a vector to acquire, maintain and transmit a pathogen. The well-studied insect model organism, Drosophila melanogaster, has been instrumental to the field of arthropod immunity. However, significant differences exist between insects and non-insect arthropods, such as ticks. One such distinction lies in the immune deficiency (IMD) pathway. In Drosophila, the pathway is activated by peptidoglycan recognition proteins (PGRPs) which then recruit adapter molecules IMD, FADD and DREDD, leading to downstream activation of the NF-kB factor, Relish. The initiating molecules, PGRPs, IMD, and FADD are not encoded in the genome of I. scapularis ticks but the core signaling components are conserved, and functionally limit bacterial colonization. What molecules or cellular processes initiating activation are not well-defined. Cellular stress responses, like the unfolded protein response (UPR), are increasingly being linked to innate immunity. In mammals, the TNFR pathway crosstalks with the UPR through the adaptor protein, TNF-receptor associated factor-2 (TRAF2). Whether the UPR influences immunity in arthropods has never previously been studied. Herein, we discovered the UPR receptor, IRE1α directly interacts with TRAF2 and limits colonization of Anaplasma phagocytophilum (Anaplasmosis) and Borrelia burgdorferi (Lyme disease) in ticks in vivo and in vitro. Moreover, this interaction leads to Relish activation, indicating a noncanonical mode of IMD pathway activation. The mechanistic linkage between IRE1α-TRAF2 and the IMD pathway remains undetermined.
description: Interrogating molecular interactions in ticks poses a challenge owing to the lack of genetic tools and resources available for non-model organisms. To address this limitation, we adapted an APEX2 proximity-based labeling assay for the use in Ixodes scapularis. This assay captures protein-protein interactions through biotinylation. By expressing recombinant TRAF2 fused to APEX2, we found Ixodes TRAF2 directly interacts with IKKγ, a component of the IKK complex, in which leads to IMD pathway activation. Overall, these finding provide valuable insight into the linkage between cellular stress responses and innate immunity in I. scapularis ticks. This research also enhances our understanding of arthropod immunity and vector competency, potentially paving the way for innovative strategies to control pathogen transmission.
Additional file 1 of ATF2-driven osteogenic activity of enoxaparin sodium-loaded polymethylmethacrylate bone cement in femoral defect regeneration
Creators: name: Ding, Luobin
name: Hao, Kangning
name: Sang, Linchao
name: Shen, Xiaoyu
name: Zhang, Ce
name: Fu, Dehao
name: Qi, Xiangbei
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 1. Supplementary figures.
Additional file 5 of ATF2-driven osteogenic activity of enoxaparin sodium-loaded polymethylmethacrylate bone cement in femoral defect regeneration
Creators: name: Ding, Luobin
name: Hao, Kangning
name: Sang, Linchao
name: Shen, Xiaoyu
name: Zhang, Ce
name: Fu, Dehao
name: Qi, Xiangbei
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences

description: Additional file 5: Table S1 shRNA sequences. Table S2 The qPCR primer sequences in ChIP. Table S3 RT-qPCR primer sequences
sj-pdf-1-vdi-10.1177_10406387211033272 – Supplemental material for Polyclonal antibody–based immunohistochemical detection of intraleukocytic Theileria parasites in roan and sable antelopes
Creators: name: Clift, Sarah J.
name: Martí-Garcia, Bernat
name: Phaswane, Rephima M.
name: Mitchell, Emily P.
name: Josemans, Antoinette I.
name: Vorster, Ilse
name: Koeppel, Katja N.
name: Fehrsen, Jeanni
Publisher: name: SAGE Journals
Year: 2021
Subjects: subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: FOS: Clinical medicine
subject: 70706 Veterinary Medicine
subject: FOS: Veterinary sciences

description: Supplemental material, sj-pdf-1-vdi-10.1177_10406387211033272 for Polyclonal antibody–based immunohistochemical detection of intraleukocytic Theileria parasites in roan and sable antelopes by Sarah J. Clift, Bernat Martí-Garcia, Rephima M. Phaswane, Emily P. Mitchell, Antoinette I. Josemans, Ilse Vorster, Katja N. Koeppel and Jeanni Fehrsen in Journal of Veterinary Diagnostic Investigation
UNDERSTANDING SMALLHOLDER FARMERS' POST-HARVEST CHOICES IN SUB-SAHARAN AFRICA: EVIDENCE FROM MALAWI
Creators: name: Nindi, Tabitha C
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Agricultural economics
Other economics not elsewhere classified

description: This dissertation has three essays that are focused on understanding smallholder farmers’ choices in sub-Saharan Africa, particularly, Malawi. The first essay uses a clustered randomized control trial (RCT) to evaluate the impact of storage and commitment constraints on farmers’ legume storage bevavior. The second essay is motivated by the incomplete quality information problem within informal markets that undermines consumers’ demand for quality and lead to lemons market. In this essay, we use a clustered RCT along with the Becker DeGroote Marshack auctions amongst 1,098 farm households to evaluate whether providing food safety (aflatoxins) information increases consumers’ demand for grain quality and whether that demand for quality varies depending on food availability. The third essay uses stochastic dynamic programming to explore the role of market risk and expenditure shocks on smallholder farmers’ storage and marketing behavior.
Jones-Davies, Marie-Thérèse [Hrsg.]: Le plaisir au temps de la Renaissance. - Turnhout, 2010. - ISBN: 978-2-503-53247-9
Creators: name: Begenat-Neuschäfer, Anne
Publisher: name: RWTH Aachen University
Year: 2013

description: Francia-Recensio 2013(2), 3 S. (2013).
description: Published by perspectivia.net, Bonn
DRONE CLASSIFICATION WITH MOTION AND APPEARANCE FEATURE USING CONVOLUTIONAL NEURAL NETWORKS
Creators: name: Lee, Eunsuh
Publisher: name: Purdue University Graduate School
Year: 2020
Subjects: Autonomous vehicle systems
Applied computing not elsewhere classified
Computer vision
Image processing

description: With the advancement in Unmanned Aerial Vehicles (UAV) technology, UAVs have become accessible to the public. However, recent world events have highlighted that the rapid increase of UAVs is bringing with it a threat to public privacy and security. Thus, it is important to think about how to prevent the threats of UAVs to protect our privacy and safety. This study aims to provide an alternative way to substitute an expensive system by using 2D optical sensors that can be easily utilized by people. One of the main challenges for aerial object recognition with computer vision is discriminating other flying objects from the targets, in the far distance. There are limitation to classify the flying object when it appears as a set of small black pixels on the frame. The movement feature can help the system to extract the discriminative feature, so that the classifier can classify the UAV and other objects, such as a bird. Thus, this study proposes a drone detection system using two elements of information, which are appearance information and motion information to overcome the limitation of a vision based system.
AN UNDERSTANDING OF MUSSEL ADHESION TO INFLUENCE MATERIALS DEVELOPMENT
Creators: name: Huntington, Samuel L
Publisher: name: Purdue University Graduate School
Year: 2021
Subjects: Macromolecular and materials chemistry not elsewhere classified
Inorganic materials (incl. nanomaterials)
Macromolecular materials
Structure and dynamics of materials
Other chemical sciences not elsewhere classified
Polymerisation mechanisms
Bioinorganic chemistry

description: The development of new materials has been inspired by lessons learned from natural systems. In the area of underwater adhesion and adhesives, inspiration has come from the complex protein adhesives generated by marine organism such as barnacle and mussels. These protein systems have a high incorporation of a unique amino acid, dihydroxyphenylalanine, and provides the unique adhesive qualities synthetic systems strive to emulate. By understanding how marine mussels stick to a variety of surfaces, new strategies can be explored for preventing the adhesion of biological organisms to various substrates. A continuous concern for marine vessels is the detrimental impact caused by biofouling on the hull of the ship. Fuel consumption can increase as the vessel’s drag increasing fuel consumption and non-native species can be introduced into new environments. Taking inspiration from catechol curing, new oxidative surfaces were investigated as potential antifouling coatings. Further insight into the marine mussels ability to apply and cure its adhesive on a variety of substrate has also inspired various synthetic polymers. The catechol moiety can be incorporated into a polymer backbone to give a new solvent based adhesive. Further investigation of the poly(styrene-co-(3,4-dihydroxystyrene)) adhesive system was done to formulate an underwater adhesive for unique use cases. A terpolymer was also explored as an ideal adhesive taking inspiration from the mussels by incorporating ﬂexible, stiﬀ, and sticky components to give a tunable adhesive. Having a strong bonding synthetic adhesive that can be used on a laboratory scale is good for academic investigation, but not of use outside the lab if it cannot easily be produced on a commercial scale. With the goal of large scale synthesis, a new polymerization method was introduced addressing some of the issues currently preventing commercial scale production.
sj-pdf-1-hip-10.1177_09540083211028876 – Supplemental Material for Photocatalytic self-cleaning properties of m-phenylene isophthalamide membranes enhanced by immobilization of GO-ZnO-Ag for dye wastewater disposal
Creators: name: Xie, Huan-Yin
name: Chen, Zhen
name: Li, Yi-Jing
name: Chen, Gui-E
name: Mao, Hai-Fang
name: Xu, Zhen-Liang
Publisher: name: SAGE Journals
Year: 2021
Subjects: Materials Engineering not elsewhere classified

description: Supplemental Material, sj-pdf-1-hip-10.1177_09540083211028876 for Photocatalytic self-cleaning properties of m-phenylene isophthalamide membranes enhanced by immobilization of GO-ZnO-Ag for dye wastewater disposal by Huan-Yin Xie, Zhen Chen, Yi-Jing Li, Gui-E Chen, Hai-Fang Mao and Zhen-Liang Xu in High Performance Polymers