bluuebunny/crossref_metadata_2025_split huggingface dataset:
Potential mechanism of oral baicalin treating psoriasis via suppressing Wnt signaling pathway and inhibiting Th17/IL‐17 axis by activating PPARγ
Authors: Chen Yi , Song Shasha , Wang Yongfang , Zhu Jia , Li Xinyu 
Published: July 2022

AbstractPsoriasis (PSO), an immune‐mediated chronic inflammatory skin disease, has seriously affected the quality of patients' life. It is urgent to find effective medicines with lower costs and less side effects. Baicalin (HQG) is the main bioactive substance from Scutellaria baicalensis with effects of anti‐inflammation and immunoregulation. Herein, we explored the effect of oral HQG treating PSO and its potential mechanism. Firstly, network pharmacology was used to predict that HQG may act on Estrogen, TNF‐alpha (tumor necrosis factor, TNF), interleukin‐17 (IL‐17) signaling pathways and Th17 cell differentiation, especially the key targets including TNF, Proto‐oncogene tyrosine‐protein kinase Src, Peroxisome proliferator‐activated receptor gamma and Matrix metalloproteinase‐9. Imiquimod (IMQ)‐induced mice were then used to study the effects of HQG treating PSO. HQG could significantly ameliorate the skin lesions, decrease the level of inflammatory factors and inhibit Th1/Th17 cell differentiation in IMQ‐induced mice. Finally, transcriptome analysis of skin lesions integrated with the prediction of network pharmacology further demonstrated that the potential mechanism may be associated with suppressing Wnt signaling pathway and inhibiting Th17/IL‐17 axis by activating PPARγ. In conclusion, this study suggested that HQG may be a promising agent for further studies in the search for therapeutic strategies to treat PSO in the future.
Persistence of persistent pulmonary hypertension of the newborn: A case of de novo TBX4 variant
Authors: Tsoi Stephanie M. , Jones Kirk , Colglazier Elizabeth , Parker Claire , Nawaytou Hythem , Teitel David , Fineman Jeffrey R. , Keller Roberta L. 
Published: July 2022

AbstractWe present a case of a late preterm infant placed on extracorporeal life support in the first day of life for persistent pulmonary hypertension of the newborn. Developmental arrest, pulmonary vascular hypertensive changes, and pulmonary interstitial glycogenosis were present on lung biopsy at 7 weeks of age. Pulmonary hypertension has persisted through childhood. Genetic testing at 8 years identified a novel mutation in TBX4.
Ultra‐fast spectroscopy for high‐throughput and interactive quantum chemistry
Authors: Bosia Francesco , Weymuth Thomas , Reiher Markus 
Published: July 2022

AbstractWe present ultra‐fast quantum chemical methods for the calculation of infrared and ultraviolet–visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures. Characteristic spectral signals can serve as diagnostic probes for the identification and characterization of molecular structures. These features often do not require ultimate accuracy with respect to peak position and intensity, which alleviates the accuracy–time dilemma in ultra‐fast electronic structure methods. If approximate ultra‐fast algorithms are supplemented with an uncertainty quantification scheme for the detection of potentially large prediction errors in signal position and intensity, an offline refinement will always be possible to confirm or discard the predictions of the ultra‐fast approach. Here, we present ultra‐fast electronic structure methods for such a protocol in order to obtain ground‐ and excited‐state electronic energies, dipole moments, and their derivatives for real‐time applications in vibrational spectroscopy and photophysics. As part of this endeavor, we devise an information‐inheritance partial Hessian approach for vibrational spectroscopy, a tailored subspace diagonalization approach and a determinant‐selection scheme for excited‐state calculations.
Neural‐network‐based constrained optimal coordination for heterogeneous uncertain nonlinear multi‐agent systems
Authors: Tang Yutao , Wang Ding 
Published: July 2022

AbstractIn this article, we investigate a constrained optimal coordination problem for a class of heterogeneous nonlinear multi‐agent systems described by high‐order dynamics subject to both unknown nonlinearities and external disturbances. Each agent has a private objective function and a steady‐state constraint about its output. We develop a composite distributed controller for each agent by a combination of internal model and neural network techniques. All agent outputs are proven to reach the constrained minimal point of the aggregate objective function with bounded residual errors irrespective of the unknown nonlinearities and external disturbances. Two examples are finally given to demonstrate the effectiveness of the algorithm.
Dopant concentration influence on the optical properties of NiO thin films doped by Al and Nb deposited by DC and RF magnetron sputtering
Authors: Bayahia Dalal , Shirbeeny Waleed 
Published: July 2022

Optical characteristics of nickel oxide (NiO) can be fine‐tuned to match specific application prerequisites. Doping NiO with Al or Nb influences the structure of its thin films, as they have d‐orbital ionic radii of 142.2 and 181.9 pm, far from the ionic radius of Ni2+ of 33.8 pm. Al‐ and Nb‐doped NiO thin films were deposited on silicon and quartz substrates using RF (Radio Frequency) and DC (Direct Current) reactive magnetron sputtering. The deposition powers on the dopant targets varied between 30 and 60 W in steps of 10 W. The XRD (X‐Ray Diffraction) analysis revealed no phase changes in the NiO structure. However, a shift toward a smaller angle was observed. The bandgap decreased to 3.30 eV. The metal‐doped NiO grains retained an average size of a few nanometers. The minimum resistivity of the Al‐doped NiO reached 0.0130 Ω.m, while it decreased to 0.0058 Ω.m for the Nb‐doped NiO. Using ellipsometry and effective medium approximation (EMA), it was possible to determine the refractive indices of the composites and dopants. The amount of dopants determined using this method was consistent with the deposition power. The influence of the dopant percentage on the optical properties of the doped NiO met the expectations. The optical and electrical properties of Al‐ and Nb‐doped NiO make them to be good candidates for electrochromic and optical sensor applications.
“Eucalyptol: An Alternative Green Solvent for the Michael Addition of Indoles to α, β‐Unsaturated Ketones and Nitrostyrenes”
Authors: Dave Alpa Y. , Mishra Akanksha , Talukdar Mrinal , Begari Eeshwaraiah 
Published: July 2022

AbstractReduction of carbon footprint generated by organic solvents via replacing them with greener solvents is of great interest in recent times. Herein, we report a Michael addition reaction of indoles to α, β‐unsaturated ketones, and nitrostyrene using reusable and low toxic eucalyptol as a green solvent, and Fe(OTs)3 ⋅ 6H2O as green catalyst. This methodology offers broad substrate scope and excellent yields (up to 90 %) in short reaction times.
A DFT Study towards the Amide cis‐trans Isomerization Process of the Myc‐Max Inhibitor Mycro 3 and Its Photophysical Properties; Synthesis and NMR Studies of the trans‐Conformation
Authors: Mamalis Dimitrios , Panagiotopoulou Angeliki , Couladouros Elias A. , Tzeli Demeter , Vidali Veroniki P. 
Published: July 2022

AbstractMycro 3 is a synthetic pyrazolo[1,5‐a]pyrimidine amide with interesting bioactivity having exhibited promising results in in vivo studies against pancreatic cancer. Even though it is a known compound, no data concerning its conformations have been reported before. The aim of this work is to investigate the formation of its trans‐ and cis‐ isomers, the photophysical processes of the isomerization, and the solvent effect via a DFT study. We found that this isomerization is a thermodynamically favourable reaction, having a small barrier of 10.3 kcal/mol in DMSO. Additionally, the calculated 1H and 13C NMR spectra of the two isomers revealed measurable differences. Furthermore, the S0→S1 excitation was found in vis area at 413 nm (trans‐isomer), while the S2→S0 and S1→S0 excitations are charge transfer (CT) and partially CT state in near‐infrared and vis spectra, showing that mycro 3 also has the potential to be used as a photosensitizer. Finally, its synthesis and its NMR analysis revealed a good agreement with the proposed trans conformation.
Heterogeneity in mental health change during the COVID‐19 pandemic in Germany: The role of social factors
Authors: Reis Dorota , Krautter Kai , Hart Alexander , Friese Malte 
Published: July 2022

AbstractThe COVID‐19 pandemic constitutes a prolonged global crisis, but its effects on mental health seem inconsistent. This inconsistency highlights the importance of considering the differential impact of the pandemic on individuals. There is some evidence that mental health trajectories are heterogeneous and that both sociodemographic and personal characteristics are associated with higher risk for mental health issues. By contrast, information on the role of social factors as potential determinants of initial reactions to the pandemic and on heterogeneous trajectories over time is lacking. We analysed seven assessments of a large‐scale (N = 2203) longitudinal study across 1.5 years, beginning in March 2020. Using self‐report data on mental health and life satisfaction, we applied latent change models to examine initial reactions and mean changes across the pandemic. In addition, we applied latent class growth analyses to investigate whether there were distinct groups with different patterns of change. Results showed that on average, levels of life satisfaction and anxiety decreased (d = −0.31 and d = −0.11, respectively), levels of depressive symptoms increased (d = 0.13), and stress levels remained unchanged (d = −0.01) during the first year of the pandemic. For each outcome, we identified four distinct mental health trajectories. Between 5% (for anxiety) and 11% (for life satisfaction) of the sample reported consistently high—and even increasing—impairments in mental health and well‐being. The trajectories of a sizeable number of people covaried with the course of the pandemic, such that people experienced better mental health when the number of COVID cases was low and when fewer restrictions were placed on public life. Low emotional support, high instrumental support, and the tendency to compare oneself with others were associated with more mental health issues. Findings show that whereas a substantial portion of people were largely unaffected by the pandemic, some individuals experienced consistently high levels of psychological distress. Social factors appear to play a crucial role in the maintenance of well‐being.
Lack of efficacy of topical administration of eprinomectin against gastrointestinal nematode in a French dairy sheep farm: A case of underexposure of worms
Authors: Bordes Léa , Ticoulet Denis , Sutra Jean François , Lespine Anne , Jacquiet Philippe 
Published: July 2022

AbstractResistance to eprinomectin was suspected in a dairy sheep farm in southwestern France. The efficacy of topical and injection formulations of eprinomectin against gastrointestinal nematodes (GINs) was compared using a faecal egg count reduction test. GIN species were identified by real‐time PCR, and eprinomectin concentrations were measured in serum by High‐Performance Liquid Chromatography 2 and 5 days after treatment. Efficacies were 99.6% and 86.1% for injection and topical formulations, respectively. Before treatment, the three species Haemonchus contortus, Teladorsagia circumcincta and Trichostrongylus colubriformis were identified in both groups. After treatment, H. contortus and T. colubriformis were identified in the topical group only. Two days after treatment, eprinomectin concentrations were above 2 ng/ml in the injection group and under this value in the topical group, suggesting underexposure of GIN to eprinomectin in this latter group. High levels of exposure to eprinomectin are important to avoid loss of efficacy in the field.
Delocalization error: The greatest outstanding challenge in density‐functional theory
Authors: Bryenton Kyle R. , Adeleke Adebayo A. , Dale Stephen G. , Johnson Erin R. 
Published: July 2022

AbstractEvery day, density‐functional theory (DFT) is routinely applied to computational modeling of molecules and materials with the expectation of high accuracy. However, in certain situations, popular density‐functional approximations (DFAs) have the potential to give substantial quantitative, and even qualitative, errors. The most common class of error is delocalization error, which is an overarching term that also encompasses the one‐electron self‐interaction error. In our opinion, its resolution remains the greatest outstanding challenge in DFT development. In this paper, we review the history of delocalization error and provide several complimentary conceptual pictures for its interpretation, along with illustrative examples of its various manifestations. Approaches to reduce delocalization error are discussed, as is its interplay with other shortcomings of popular DFAs, including treatment of non‐bonded repulsion and neglect of London dispersion.This article is categorized under:
Electronic Structure Theory > Density Functional Theory
Who is vulnerable to energy poverty in the Global North, and what is their experience?
Authors: Middlemiss Lucie 
Published: July 2022

AbstractEnergy poverty is a fast rising government agenda in the Global North, and is subject to a substantial academic literature. Energy poverty is experienced when people do not have adequate access to energy services (light, heat, warmth, and cooling) to live a decent life. Plans to transition to a low‐carbon economy in the Global North have raised concerns about the impacts of environmental policy on more vulnerable citizens. A just transition is highly risky for energy poor households, who enter into the transition at a disadvantage. Understanding this starting point is critical in ensuring the energy poor are able to participate in a just transition, and are not subject to further disadvantage. Here, using a realist evaluation approach, I summarize the empirical literature on the experience of energy poverty in the Global North, in doing so characterizing who tends to be vulnerable to this problem, and painting a picture of their life experience. I show how energy poverty links to poverty, and how people from commonly disadvantaged social categories (disabled people, single parents, and people from ethnic minorities) are more likely to experience energy poverty. I describe the homes of people experiencing energy poverty, and their coping practices, as well as outlining the effects of energy poverty on health, social life, and home finances. In conclusion, I point to the weaknesses and gaps in the current literature, and suggest some important avenues of research for the future. This includes bringing energy poverty evidence into more extensive conversation with a just transitions agenda.This article is categorized under:
Human and Social Dimensions > Energy and Climate Justice
Human and Social Dimensions > Energy Poverty
Human and Social Dimensions > Gender Equity
Strukturationstheorie als theoretisches Fundament
Authors: Binder-Tietz Sandra 
Published: July 2022

ZusammenfassungDie Strukturationstheorie bildet in dieser Arbeit das theoretische Fundament für die Erklärung der Kommunikation von Aufsichtsratsvorsitzenden. In diesem Kapitel werden daher zunächst die Grundlagen der Strukturationstheorie dargelegt, um ein Grundverständnis für die Argumentation zu schaffen. Dabei werden Begrifflichkeiten eingeführt, wie (kompetente) Akteure bzw. Handelnde, der Struktur und der Strukturation, da auf deren Basis im weiteren Verlauf der Arbeit strukturationstheoretische Einsichten abgeleitet werden.
Corporate-Governance-Grundlagen: Aufsichtsrat und Aufsichtsratsvorsitzende
Authors: Binder-Tietz Sandra 
Published: July 2022

ZusammenfassungDer Aufsichtsrat ist ein Phänomen des dualistischen Systems der Unternehmensführung, das eine institutionelle Trennung der Unternehmensleitung (Vorstand) und -kontrolle (Aufsichtsrat) vorsieht. In diesem Kapitel werden die juristischen und wirtschaftswissenschaftlichen Grundlagen zum Aufsichtsrat im Allgemeinen und zu Aufsichtsratsvorsitzenden im Speziellen ausführlich dargestellt, um ein Verständnis für die Aufgaben und Organisation des Aufsichtsrats sowie die Tätigkeiten von Aufsichtsratsvorsitzenden zu etablieren. Auf dieser Basis können im weiteren Verlauf der Arbeit die kommunikativen Aufgaben abgeleitet werden.
Kommunikationswissenschaftliche Grundlagen: Öffentlichkeitsarenen, Kommunikationsmanagement und seine Akteure
Authors: Binder-Tietz Sandra 
Published: July 2022

ZusammenfassungIn diesem Kapitel werden die Rahmenbedingungen der Kommunikation von Aufsichtsratsvorsitzenden aus der kommunikationswissenschaftlichen Forschung abgeleitet. Dafür werden relevante Öffentlichkeiten analytisch hergeleitet sowie relevante Akteure und Themen beschrieben. Weiterhin wird die Kommunikationsmanagement-Forschung vorgestellt, um später die Kommunikation von Aufsichtsratsvorsitzenden darin verorten zu können. Schließlich werden Erkenntnisse zur Kommunikatorforschung diskutiert, um Aufsichtsratsvorsitzende als Kommunikatoren für Unternehmen zu verorten.
Die Kommunikation von Aufsichtsratsvorsitzenden
Authors: Binder-Tietz Sandra 
Published: July 2022

ZusammenfassungKommunikation ist ein zentraler Bestandteil der Aufgabe des Aufsichtsrats und im Speziellen von Aufsichtsratsvorsitzenden. Sie ist sowohl nach innen, sprich innerhalb des Gremiums sowie mit dem Vorstand, als auch nach außen, im Rahmen von Publizitätspflichten und als zusätzliche freiwillige Kommunikation, relevant. In diesem Kapitel soll daher erstmalig ein umfassendes Verständnis für die kommunikativen Aufgaben von Aufsichtsratsvorsitzenden etabliert werden.
Methodisches Vorgehen
Authors: Binder-Tietz Sandra 
Published: July 2022

ZusammenfassungIn diesem Kapitel wird die methodische Herangehensweise beschrieben, mit dessen Hilfe die Kommunikation von Aufsichtsratsvorsitzenden umfassend analysiert wird. Aus der externen Perspektive werden mithilfe einer Inhaltsanalyse der Medienberichterstattung und Analystenreports sowie von qualitativen Expertengesprächen mit Stakeholdern die Anforderungen an die Kommunikation aufgezeigt. Aus interner Perspektive werden qualitative Experteninterviews mit Aufsichtsratsvorsitzenden, Investor-Relations- und Public-Relations-Verantwortlichen geführt.
Resümee und Ausblick
Authors: Binder-Tietz Sandra 
Published: July 2022

ZusammenfassungDie Kommunikation von Aufsichtsratsvorsitzenden ist ein neues Forschungsthema im Spannungsfeld von Corporate-Governance- und kommunikationswissenschaftlicher Forschung. In diesem Kapitel werden die Kernaussagen der Studie rekapituliert. Zudem werden die Erkenntnisse für die Praxis verdichtet. Abschließend werden auf Basis einer kritischen Reflexion die Grenzen sowie Ansatzpunkte für weitere Forschung aufgezeigt.
Policy Change in Moral Education: Working Through the Ministry of Education
Authors: Bamkin Sam 
Published: July 2022

AbstractMoral education (dōtoku) was revised outside of the regular curriculum revision cycle, two years before other subjects. The new moral education places greater emphasis on teaching for patriotism and the subordination of individuality for the good of society. It converted moral education classtime into a designated subject. In concrete terms, this requires syllabus planning, the use of an approved textbook, and assessment for moral education. This significant reform was driven not by the Ministry of Education (MEXT), as most curriculum matters have been, but by a supra-cabinet council under the leadership of the prime minister. The reform changed the content of the course of study, but also exposed new tensions in the policymaking process, the examination of which provides new insight into the role of the Ministry of Education. This chapter examines how policy unfolds both before and after its written form is promulgated. It considers how policy changes as it is translated into practice, as teachers, school administrators, members of the boards of education and textbook publishers work through the Ministry to mediate policy. Rather than closing the discussion on how moral education is enacted in schools, this chapter aims to illustrate some of the complexities of policymaking, to question the perceived internal coherence and omnipotence of MEXT, and to encourage studies that look beyond written policy and towards the interaction between policy and practice.
Questionnaire Design and Response Propensities for Labour Income Microdata
Authors: Daniels Reza Che 
Published: July 2022

AbstractThe income question in household surveys is one of the most socially sensitive constructs. Two problems that arise with social sensitivity concern the probability of obtaining a response and the type of response provided. In survey error terms, this translates into an important relationship between questionnaire design (construct validity) and item non-response. In turn, these affect the statistical distribution of income that has both univariate and multivariate implications. Consequently, the interrelationship between questionnaire design and response type is crucial to understand when conducting analyses of the income variable.
Cosmological scattering equations at tree-level and one-loop
Authors: Gomez Humberto , Jusinskas Renann Lipinski , Lipstein Arthur 
Published: July 2022

Abstract
We recently proposed a formula for tree-level n-point correlators of massive ϕ4 theory in de Sitter momentum space which consists of an integral over n punctures on the Riemann sphere and differential operators in the future boundary dubbed the cosmological scattering equations. This formula was explicitly checked up to six points via a map to Witten diagrams using the global residue theorem. In this work we provide further details of these calculations and present an alternative formulation based on a double cover of the Riemann sphere. This framework can be used to derive simple graphical rules for evaluating the integrals more efficiently. Using these rules, we check the validity of our formula up to eight points and sketch the derivation of n-point correlators. Finally, we propose a similar formula for 1-loop n-point correlators in terms of an integral over (n + 2) punctures on the Riemann sphere, which we verify at four points. The 1-loop formula holds for small masses in de Sitter space and arbitrary masses satisfying the Breitenlohner-Freedman bound after Wick-rotating to Anti-de Sitter space.
Glueballs in a thermal squeezeout model
Authors: Asadi Pouya , Kramer Eric David , Kuflik Eric , Slatyer Tracy R. , Smirnov Juri 
Published: July 2022

Abstract
It has been shown that a first order confinement phase transition can drastically change the relic dark matter abundance in confining dark sectors with only heavy dark quarks. We study the phenomenology of one such model with a Z′ portal to Standard Model. We find that dark glueballs are long-lived in this setup and dilute the dark matter abundance after their decay to Standard Model. With this effect, the correct relic abundance is obtained with dark matter masses up to $$ \mathcal{O} $$
O
(106) TeV. We find that while a part of the parameter space is already ruled out by direct detection and collider searches, there is still a broad space of viable scenarios that can be probed by future experiments.