bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facile synthesis, crystal structure, quantum calculation, and biological evaluations of novel selenenyl sulfide compounds as potential agrochemicals
Authors: Shang Ming‐Hao , Sun Xue‐Wen , Wang Hai‐Lian , Li Hao‐Ran , Zhang Jia‐Shuang , Wang Li‐Zhong , Yu Shu‐Jing , Zhang Xiao , Xiong LI‐Xia , Li Yong‐Hong , Niu Cong‐Wei , Wang Jian‐Guo 
Published: January 2023

AbstractBACKGROUNDIn order to design compounds with fresh molecular skeleton to break through the limitation of available agrochemicals, a series of 36 novel selenenyl sulfide compounds were chemically synthesized, and their biological activities were fully evaluated against tobacco mosaic virus (TMV), 14 plant pathogenic fungi, three insect species and plant acetohydroxyacid synthase (AHAS).RESULTSAll the target compounds were characterized by proton nuclear magnetic resonance (1H‐NMR), carbon‐13 (13C)‐NMR, selenium‐77 (77Se)‐NMR, and high‐resolution mass spectrometry (HRMS). The crystal structure of 10j indicated that the Se–S bond was successfully constructed. Compounds 10d, 10h, 10s, 10u, 10aa, 10ac, 10ae, 10ag, and 10ai exhibited 40%, 43%, 39%, 41%, 47%, 46%, 47%, 42%, and 39% anti‐TMV activities at 500 mg L−1, better than that of ribavirin. The median effective concentration (EC50) against Sclerotinia sclerotiorum of 10ac was 6.69 mg L−1 and EC50 values against Physalospora piricola and Pyricularia grisea of 10z were 12.25 mg L−1 and 15.27 mg L−1, respectively, superior to the corresponding values of chlorothalonil. Compounds 10c and 10v demonstrated 100% larvicidal activity against Culex pipiens pallens at 5 mg L−1, while 10a displayed 100% insecticidal activity against Mythimna separata at 200 mg L−1. Compounds 10c, 10j, and 10o showed > 60% inhibitions against plant AHAS at 10 μmol L−1. From the quantum calculation, highest occupied molecular orbital (HOMO) was considered as a factor that affects the anti‐TMV activity.CONCLUSIONThe preliminary results suggested that more efforts should be devoted to exploring the selenenyl sulfides for the discovery of new leads of antiviral agent, fungicide, insecticide or AHAS inhibitors as potential agrochemicals for crop protection. © 2023 Society of Chemical Industry.
Quantifying the mixing of trade‐wind cumulus during the NEPHELAE‐EUREC4A field campaign with remotely piloted aircraft
Authors: Maury Nicolas , Roberts Gregory C. , Couvreux Fleur , Verdu Titouan , Narvor Pierre , Lacroix Simon , Hattenberger Gautier 
Published: January 2023

AbstractDuring the Network for studying Entrainment and microPHysics of cLouds using Adaptive Exploration (NEPHELAE)–ElUcidating the RolE of Cloud–Circulation Coupling in ClimAte (EUREC4A) field campaign in January and February 2020 in Barbados, remotely piloted aircraft (RPA) were implemented to characterise the structures of trade‐wind cumulus for a total of 40 flights. Two observation methods were tested: one making racetracks to get statistics on the cumulus clouds and a new sampling strategy using sensor‐driven adaptive sampling to track an individual cloud autonomously throughout its lifetime. It appears from the statistics that there are two types of cohabiting cloud population, with small‐diameter clouds (transect lengths less than 500 m) being less buoyant than larger clouds (transect lengths greater than 500 m). Also, this statistical study shows that cumulus clouds do not have an adiabatic core. These results are compared with individual clouds tracked by adaptive sampling, which also show that the core of the cumulus clouds is diluted by the environment. A comparison with high‐resolution large‐eddy simulations shows that these numerical studies tend to underestimate mixing in the whole cloud.
Special braced stairs versus typical braced frames. New architectural‐structural‐seismic approach to stair design
Authors: Montalbán Turon Carlos , Vargas Alzate Yeudy F. 
Published: January 2023

SummaryThis paper presents a new approach to the project of steel buildings, mainly focused on the architectural, structural, and seismic design of stairs. The objective is to design a structural stair system capable of controlling seismic damage and contributing to the bracing system of the building. The article begins with a review of the seismic standard (ATC, FEMA, and EC8) on which the current design criteria for new buildings with stairs are based. The research is based on two spatial building models (A–B) with the same bracing elements but placed differently. Reference Model A follows classical design approaches. It means, stairs are considered nonstructural elements that do not influence the seismic behavior of the building. This structure corresponds to typical braced frames (IV‐CBF and EBF) according to EC8. Model B includes a stair system designed to help control the effects of inter‐story drifts and inertia forces. In this case, the same bracing elements of Model A were integrated into the stair structure of Model B. A comparative seismic behavior analysis of typically braced frames (A) versus specially braced stairs (B) is presented. The research was based on the static nonlinear (pushover) analysis and the capacity spectrum method (ATC‐40) according to the seismic performance levels (FEMA) and damage limitation (EC8). Finally, the braced stairs was verified via nonlinear time‐history analysis in order to better capture the structural safety of the evacuation routes and their influence on the behavior of the building. This deterministic analysis of the braced stairs verified satisfactory results compared to reference bracing systems.
Reliability of onshore wind turbines based on linking power curves to failure and maintenance records: A case study in central Spain
Authors: Sanchez‐Fernandez Andres J. , González‐Sánchez José‐Luis , Luna Rodríguez Íñigo , Rodríguez Félix R. , Sanchez‐Rivero Javier 
Published: January 2023

SummaryWind turbine (WT) reliability has come to the forefront of research due to the rapid growth of wind energy in recent years. Reliability information can help understand failure causes and focus maintenance and prevention efforts on the most critical components, reducing costs and increasing profits. This paper offers new insights into WT reliability after analysing the data provided by the Supervisory Control And Data Acquisition (SCADA) system collected from seven onshore WTs located in central Spain from January 2014 to September 2021. To this end, we propose a method to link SCADA data to failure and maintenance records based on checking whether each 10‐min average time sample was collected when any failure or maintenance action had been reported. These records have been manually mapped to the WT taxonomy based on the standard Reference Designation System for Power Plants (RDS‐PP®) with minor changes. We present three different results: (i) The capacity factor and time‐based availability of each WT; (ii) the subsystem failure rate and downtime to identify the most critical ones; and (iii) each WT power curve with the 10‐min time samples labelled as healthy, under maintenance, or failure states, along with a ranking of the subsystems causing the most failures in each part of the power curves. It is the first time that time samples are linked to failure and maintenance records to visualise their distribution on the power curves. These results can help research point in the right direction to improve reliability and increase electricity production worldwide.
Analysis of the evolution of ultra‐filtered water quality in a drinking water distribution system by particle size distribution: Influence of pre‐ozonation
Authors: Álvarez‐Arroyo Rocío , Pérez Jorge Ignacio , Ruiz Luz Marina , Gómez Miguel Ángel 
Published: January 2023

AbstractAn experimental drinking water distribution system (DWDS) was used to evaluate the evolution of particle size distribution (PSD) and basic quality parameters of ultrafiltered water with or without pre‐ozonation. An ultrafiltration (UF) module was set up, associated with a pre‐ozonation system (3.7 g O3/m3). The permeate was circulated in the DWDS (300 m; 0.9 m/s) with 0.4 mg/L of chlorine, and the analysis of the PSD was performed using a β‐variable mathematical model. A better control of membrane fouling was obtained with pre‐ozonation, and PSD was necessary to observe water quality differences between permeates and in the DWDS. A decrease in particle concentration of 1.8 logarithms was obtained with the application of UF membranes, while a decrease of only 1.2 logarithms was obtained with pre‐ozonation. The system without pre‐ozonation showed a higher efficiency at removing smaller particles (around 2 μm), with the absence of particles larger than 23 μm during both stages. The PSD revealed a worsening of water quality in the DWDS with an increase of particles smaller than 5 μm during the application of UF membranes, while with pre‐ozonation, all particle sizes analyzed increased their concentration.Practitioner Points
Pre‐ozonation led to a better control of membrane fouling, but a worsening of permeate quality according to particle size distribution.
Pre‐ozonation does not improve the turbidity, dissolved organic carbon or UV254 removal capacity of ultrafiltration during drinking water treatment.
Particles size distribution reveals the deterioration of water quality in a drinking water distribution system better than turbidity or DOC.
Ozone prior to ultrafiltration membranes led to a worsening of permeate quality, more significant in the drinking water distribution system.
Achieving stable anammox process and revealing shift of bacteria during the start‐up in landfill leachate treatment
Authors: Jia Chunfang , Wu Lina , Yu Ke , Hu Jincheng , Qi Jiabao Wendy , Luo Anteng 
Published: January 2023

AbstractPartial nitrification‐anammox (PN/A) is an energy‐efficient technology for nitrogen removal in landfill leachate treatment. Numerous studies have reported successful implementation of the PN/A process and its stable operation under laboratory conditions. One of the primary challenges in PN/A engineering applications is the mass of the seed sludge required for start‐up. This study examined the PN/A using a sequence batch reactor (SBR) inoculating a common mixture to treat landfill leachate. After 70 days of operation, the system successfully realized a one‐stage PN/A process and maintained a stable ammonium removal efficiency of 97.65% ± 1%, where the effluent of and nitrate () were less than 4 ± 1.5 mg L−1 and 10 mg L−1. In addition, the relative abundances of Ca. Kuenenia and Ca. Brocadia, which are typical anaerobic ammonia‐oxidizing bacteria (AnAOB), increased from 0.08% to 3.99% (70 days) and 0.01% to 0.45%, respectively. The relative abundances of ammonia‐oxidizing bacteria (AOB) Nitrosomonas and Nitrosospira increased from 0.9% to 2.89% and 0.007% to 0.1% (70 days), respectively. Both AnAOB and AOB are important niches of the system.Practitioner Points
The research realized PN/A rapidly by inoculating common mixture sludge.
The experiment successfully enriched AnAOB from 0.09% to 3.89% within 70 days.
The article revealing the ecological roles of AOB and AnAOB in the landfill leachate treatment.
Advances in biomarker discovery using circulating cell‐free DNA for early detection of hepatocellular carcinoma
Authors: Liu Mingjun , Zhang Zhou , Zhang Wei , Liu Song‐Mei 
Published: January 2023

AbstractThe past several decades have witnessed unprecedented progress in basic and clinical cancer research, and our understanding of the molecular mechanisms and pathogenesis of cancers have been greatly improved. More recently, with the availability of high‐throughput sequencing and profiling platforms as well as sophisticated analytical tools and high‐performance computing capacity, there have been tremendous advances in the development of diagnostic approaches in clinical oncology, especially the discovery of novel biomarkers for cancer early detection. Although tissue biopsy‐based pathology has been the “gold standard” for cancer diagnosis, notable limitations such as the risk due to invasiveness and the bias due to intra‐tumoral heterogeneity have limited its broader applications in oncology (e.g., screening, regular disease monitoring). Liquid biopsy analysis that exploits the genetic and epigenetic information contained in DNA/RNA materials from body fluids, particularly circulating cell‐free DNA (cfDNA) in the blood, has been an intriguing alternative approach because of advantageous features such as sampling convenience and minimal invasiveness. Taking advantage of innovative enabling technologies, cfDNA has been demonstrated for its clinical potential in cancer early detection, including hepatocellular carcinoma (HCC), the most common liver cancer that causes serious healthcare burden globally. Hereby, we reviewed the current advances in cfDNA‐based approaches for cancer biomarker discovery, with a focus on recent findings of cfDNA‐based early detection of HCC. Future clinical investigations and trials are warranted to further validate these approaches for early detection of HCC, which will contribute to more effective prevention, control, and intervention strategies with the ultimate goal of reducing HCC‐associated mortality.This article is categorized under:
Cancer > Genetics/Genomics/Epigenetics
Double exponential quadrature for fractional diffusion
Authors: Rieder Alexander 
Published: January 2023

AbstractWe introduce a novel discretization technique for both elliptic and parabolic fractional diffusion problems based on double exponential quadrature formulas and the Riesz–Dunford functional calculus. Compared to related schemes, the new method provides faster convergence with fewer parameters that need to be adjusted to the problem. The scheme takes advantage of any additional smoothness in the problem without requiring a-priori knowledge to tune parameters appropriately. We prove rigorous convergence results for both, the case of finite regularity data as well as for data in certain Gevrey-type classes. We confirm our findings with numerical tests.
Psychosoziale Belastung und psychosoziale Unterstützung für Fachkräfte im Gesundheitswesen während der COVID-19-Pandemie
Authors: Holl Julia , Berning Anna , Benetik Manuel Joachim , Frenkel Marie Ottilie , Bellm Annette , Ditzen Beate , Bikowski Kirsten , Konrath Katharina , Parker Grit , Porath Jannik , Zumbaum-Fischer Franziska , Taubner Svenja 
Published: January 2023

Zusammenfassung
Hintergrund
Ausgangspunkt der Studie ist die hohe psychosoziale Belastung von Fachkräften im Gesundheitswesen bei gleichzeitig geringer Inanspruchnahme eines Beratungs- und Unterstützungsangebots für Mitarbeiter*innen einer Universitätsklinik während der COVID-19-Pandemie.

Ziel der Arbeit
Die vorliegende Studie untersucht den Grad des psychosozialen Belastungserlebens von Fachkräften im Gesundheitswesen (n = 859) einer Universitätsklinik sowie Kenntnis, Inanspruchnahme und Bewertung innerbetrieblicher psychosozialer Versorgungsstrukturen.

Material und Methoden
Im Rahmen einer Online-Befragung (21.07.–19.10.2021) wurden die subjektiv empfundene Belastung durch die COVID-19-Pandemie, Depressivität (PHQ-8) des Personals sowie Kenntnis, Inanspruchnahme und Bewertung möglicher Versorgungsangebote der Universitätsklinik erhoben. Zusätzlich wurden qualitative Daten zu Informationsquelle, -vermittlung sowie Art der Kontaktaufnahme der innerbetrieblichen Versorgungsstrukturen erhoben.

Ergebnisse
Trotz hoher psychosozialer Belastung und überwiegender Kenntnis der Existenz innerbetrieblicher psychosozialer Versorgungsangebote ist deren Inanspruchnahme bei Fachkräften im Gesundheitswesen gering. Insbesondere der Kontakt zu Patient*innen stellte einen Risikofaktor für das psychosoziale Belastungserleben dar. Die qualitative Analyse zeigt, dass die Mitarbeiter*innen mehr über E‑Mails und Newsletters informiert werden möchten sowie eine übersichtliche Darstellung der Angebote vermissen.

Diskussion
Eine Überarbeitung der Angebotsdarstellung und Kontaktwege gemäß den Wünschen des Personals könnte die Inanspruchnahme innerbetrieblicher Angebote verbessern.
Monitoringsystem für Gurtbandförderer – Auswertungsmöglichkeiten
Authors: Prenner Michael , Müller Jakob 
Published: January 2023

ZusammenfassungBei diesem Monitoringsystem handelt es sich um eine Gurtlenkeinrichtung für Gurtbandförderer, die den Gurtschieflauf, der unter verschiedensten Randbedingungen auftreten kann, bis zu einem gewissen Grad ausgleichen kann. Diese Einrichtung wurde nun um eine Monitoringfunktion erweitert, mit deren Hilfe der Gurtschieflauf detektiert werden kann und mögliche Ursachen für den Schieflauf identifiziert werden können. Dieser Artikel beschäftigt sich mit dem Auswertetool und den dadurch verwirklichten Monitoringmöglichkeiten des Systems.
Klärschlammmanagement und -qualität in Österreich
Authors: Weber Nikolaus , Long Arabel , Krampe Jörg , Rechberger Helmut , Zoboli Ottavia , Zessner Matthias 
Published: January 2023

ZusammenfassungIn den letzten Jahren kam es zu einem Paradigmenwechsel bei Kläranlagen, der den alleinigen Zweck der Abwasserreinigung um eine zusätzliche Funktion der Ressourcenrückgewinnung erweiterte. Dieser Wandel geht mit der Entwicklung neuer Rechtsvorschriften einher, die eine bessere Ressourcenrückgewinnung aus dem Abwasser ermöglichen wollen. Lange Betriebszeiten und eine Vielzahl von Behandlungsanforderungen verlangen jedoch gründliche Untersuchungen, wie eine Ressourcenrückgewinnung nachhaltig umgesetzt werden kann. Um Grundlagen für die Ausarbeitung einer neuen Gesetzgebung speziell für die Rückgewinnung von Phosphor (P) zu erarbeiten, wurde 2017 eine Umfrage zur österreichischen Kläranlageninfrastruktur durchgeführt. Der Fokus dabei lag auf Informationen zu Phosphor-Entfernung, Schlammbehandlung und -entsorgung sowie der Schlammqualität aller Kläranlagen über 2000 Einwohnerwerte (EW). Die erhobenen Daten wurden zuerst auf Vollständigkeit und Plausibilität geprüft und dann einer umfassenden Analyse unterzogen. Die vorliegende Studie stellt die wichtigsten Erkenntnisse der Datenanalyse vor und leitet daraus Überlegungen ab, die für eine zukünftige Rückgewinnung von P aus Abwasser zu berücksichtigen sind.
Geschäftliche Gentrifizierungsprozesse im Frankfurter Bahnhofsviertel
Authors: Reis Michael , Gareis Philipp 
Published: January 2023

ZusammenfassungGentrifizierungsprozesse in Bezug auf die Gewerbelandschaft in einem Gebiet sind ein bislang wenig erforschter Untersuchungsgegenstand. Dabei können Gewerbe in einem aufgewerteten Quartier – besonders alteingesessene Betriebe, die vornehmlich die Bedarfe der ehemals verankerten Bewohnerinnen und Bewohner bedienten – von Verdrängung betroffen sein. Modernisierungsmaßnahmen in Fassade und Bausubstanz, daraus resultierende Steigerungen in Miete und Pacht sowie die Abnahme der ursprünglichen Kundschaft sind dabei regulative Elemente einer Verdrängung. Anhand einer Bestandsaufnahme, basierend auf Google Street View, sowie einer zehn Jahre später stattfindenden Begehung im Frankfurter Bahnhofsviertel, werden die Veränderungen vor Ort kartiert und hinsichtlich einer gewerblichen Gentrifizierung erfasst. Erste Erkenntnisse zeigen, dass sich in Leerständen von verdrängten oder aufgegebenen Traditionsbetrieben hochwertige Gastronomiebetriebe niederlassen, die als Indikator-Betriebe für eine Gewerbegentrifizierung angesehen werden können. Daher sind verschiedene, an die Stadt gerichtete, Handlungsempfehlungen für Viertel, die einen solchen Wandel durchlaufen, wie eine finanzielle Förderung von Traditionsbetrieben, eine frühzeitige Erfassung der Veränderung einer Gewerbelandschaft, Verlängerung von Mindestlaufzeiten gewerblicher Mieten oder eine gesonderte Aufnahme in eine Milieuschutzsatzung, zu bedenken.
Prevent2Protect Project: Regulatory Focus Differences in Sexual Health Knowledge and Practices
Authors: Rodrigues David L. , de Visser Richard O. , Lopes Diniz , Prada Marília , Garrido Margarida V. , Balzarini Rhonda N. 
Published: January 2023

AbstractThe way people perceive risks and make decisions about their health is regulated by two motivational systems—prevention of harm or promotion of pleasure. People more focused on prevention strive to avoid negative outcomes and enact more health-protective behaviors. In contrast, people more focused on promotion strive to attain positive outcomes and take more risks with their health. Building upon recent evidence extending this framework to sexual behaviors and health, we conducted a pre-registered online survey (OSF) with Portuguese and Spanish adults (N = 742; Mage = 31.42, SD = 9.16) to examine whether self-reported STI knowledge and sexual health practices differ based on predominant regulatory focus. This study was part of the Prevent2Protect project (OSF). Results showed that prevention-focused participants had heard about more STIs and retrieved more of their knowledge from scientific sources but had been tested for fewer STIs in the past. In contrast, promotion-focused participants indicated they had specific knowledge about more STIs, retrieved more of their knowledge from medical and peer sources, and had been tested for more STIs in the past. They also reported more frequent STI testing, using free testing facilities or asking their family practice doctor to get tested, more routine sexual health check-ups, and more use of other contraceptive methods, such as birth control pills. These results remained unchanged after controlling for demographic differences. Overall, our findings showed that different motives in sexuality shape sexual health knowledge and sexual health practices.
Involvement of redox signalling in tumour cell dormancy and metastasis
Authors: Puente-Cobacho Beatriz , Varela-López Alfonso , Quiles José L. , Vera-Ramirez Laura 
Published: January 2023

Abstract
Decades of research on oncogene-driven carcinogenesis and gene-expression regulatory networks only started to unveil the complexity of tumour cellular and molecular biology. This knowledge has been successfully implemented in the clinical practice to treat primary tumours. In contrast, much less progress has been made in the development of new therapies against metastasis, which are the main cause of cancer-related deaths. More recently, the role of epigenetic and microenviromental factors has been shown to play a key role in tumour progression. Free radicals are known to communicate the intracellular and extracellular compartments, acting as second messengers and exerting a decisive modulatory effect on tumour cell signalling. Depending on the cellular and molecular context, as well as the intracellular concentration of free radicals and the activation status of the antioxidant system of the cell, the signalling equilibrium can be tilted either towards tumour cell survival and progression or cell death. In this regard, recent advances in tumour cell biology and metastasis indicate that redox signalling is at the base of many cell-intrinsic and microenvironmental mechanisms that control disseminated tumour cell fate and metastasis. In this manuscript, we will review the current knowledge about redox signalling along the different phases of the metastatic cascade, including tumour cell dormancy, making emphasis on metabolism and the establishment of supportive microenvironmental connections, from a redox perspective.