bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical [3+2] Cycloaddition of Anilines and 1,3‐Dicarbonyl Compounds: Construction of Multisubstituted Indoles
Authors: Chang Xiaoqiang , Chen Xingyu , Lu Sixian , Zhao Yifan , Ma Yue , Zhang Dong , Yang Lan , Sun Peng 
Published: July 2022

AbstractIndoles, especially multisubstituted ones, are privileged scaffolds found widely in natural products, bioactive molecules, fine chemicals, and organic functional materials. Although several intramolecular electrochemical cyclization reactions of vinyl anilines to construct indoles have been reported in recent years, the intermolecular process between simple anilines and other readily available synthons, even though dominant, remains relatively unexplored. Herein, we report the intermolecular electro‐oxidative cycloaddition of anilines and commercially available 1,3‐dicarbonyl compounds. This method provides an alternative route for the synthesis of a broad range of multisubstituted indoles without a transition‐metal catalyst or external chemical oxidant.magnified image
Copper‐Catalyzed Oxidative Carboamination of Maleimides with Amines and α‐Bromo Carboxylates
Authors: Zhou Xueying , Shi Shanshan , Chen Luya , Wu Ge , Ma Yunfei 
Published: July 2022

AbstractA copper‐catalyzed oxidative carboamination of maleimides with alkyl amines and α‐bromo carboxylates is described. These multicomponent reactions show good functional group compatibility and are suitable for the late‐stage modification of a series of neuroprotective agents, providing a direct path for the library synthesis of 3‐carbo‐4‐amino maleimides. The initial copper‐catalyzed oxidative amination of maleimides with amines to form enamines intermediate, followed by copper‐catalyzed radical alkylation with α‐bromo carboxylate compounds, triggers a relayed catalytic reaction to achieve the carboamination process.magnified image
Dual Photoredox and Nickel Catalysed Reductive Coupling of Alkynes and Aldehydes
Authors: Calogero Francesco , Magagnano Giandomenico , Potenti Simone , Gualandi Andrea , Fermi Andrea , Ceroni Paola , Giorgio Cozzi Pier 
Published: July 2022

AbstractA regioselective vinylation of aromatic and aliphatic aldehydes promoted by the merging of photoredox and nickel catalysis is here reported. A comprehensive investigation on the reaction conditions allowed the disclosure of a valid and reproducible protocol based on a nickel‐mediated reductive coupling approach under visible light irradiation. The employment of 3CzClIPN (2,4,6‐tris(carbazol‐9‐yl)‐5‐chloro‐isophthalonitrile) as the photocatalyst and Hantzsch's ester as the sacrificial organic reductant replace the use of boron‐, silicon‐ or zinc‐based reducing agents, making this method a worthy alternative to the already known protocols. The developed mild reaction conditions allow the access to a wide range of substituents decorating both the aldehyde and the alkyne. Moreover, careful photophysical investigations shed light on the mechanism of the reaction.magnified image
Molecular Modeling of Ionic Liquids: Force‐Field Validation and Thermodynamic Perspective from Large‐Scale Fast‐Growth Solvation Free Energy Calculations
Authors: Sun Zhaoxi , Wang Mao , He Qiaole , Liu Zhirong 
Published: July 2022

AbstractIn molecular modelling of novel solvents such as ionic liquids, it is common to scale atomic charges to improve the experiment‐simulation agreement for some selected properties. As these liquids are designed to solvate solutes, whether the solvation thermodynamics could be correctly described is of utmost importance. Therefore, we present a comprehensive large‐scale calculation of solvation free energies via nonequilibrium fast‐switching simulations for a spectrum of molecules in ionic liquids, the atomic charges of which are scaled to maximize the prediction‐experiment correlation. Further, the density‐derived choice is compared with the solvation‐thermodynamics‐derived one. When the scaling factor is decreased, the density exhibits a monotonically decreasing behavior due to weaker inter‐molecular interactions produced by scaled atomic charges. However, solvation free energies do not show consistent monotonic behaviors, which are caused by competing electrostatic and vdW responses to the scaling‐parameter variation. More intriguingly, the solvation‐free‐energy‐derived scaling factor is generally slightly higher than the density‐derived one. We further calculate partition coefficients ortransfer free energies of solutes from water to ionic liquids to provide another thermodynamic perspective of charge scaling. Another central result is the detailed evaluation of the widely used force fields for bonded and vdW terms, i.e., the GAFF derivatives.
Carrier screening for Krabbe disease in an isolated inbred community
Authors: Ezer Shlomit , Zuckerman Shachar , Segel Reeval , Zlotogora Joël 
Published: July 2022

AbstractInfantile Krabbe disease (OMIM 245200) is a severe, fatal autosomal recessive neurodegenerative disorder that is relatively frequent in two Muslims villages within Jerusalem. After the characterization of the founder mutation, a population carrier screening for Krabbe disease became a component of the Israeli program for the detection and the prevention of birth defects. Between 2010 and 2018, 3366 individuals were tested and among them 247 carriers for Krabbe disease were identified (7.3%). Most of the 21 carrier couples identified that had pregnancies after being informed that they were at risk used preventive measures including termination of pregnancies of affected fetuses. During the study period, eight children affected with Krabbe disease were born in the villages, four to couples not detected though the program. Twenty years after the beginning of the carrier screening program, Krabbe disease remained relatively frequent in the villages. The establishment of a genetic clinic in the villages may allow to improve the carrier screening program while giving individual counseling for the risk to the other genetic diseases existing in the villages.
Einfluss von Imperfektionen auf die Fugentragfähigkeit torsionsbeanspruchter Kreisringsegmente
Authors: Fürll Florian , Klein Fabian , Betz Thorsten , Marx Steffen 
Published: July 2022

AbstractHybride Turmkonstruktionen für Windenergieanlagen haben sich in den letzten Jahren vor allem für Anlagen mit großen Nabenhöhen etabliert. Der obere Teil derartiger Türme besteht aus Stahlsektionen, wohingegen sich der untere Teil aus vorgespannten Betonfertigteilringen zusammensetzt. Die zwangsläufig zwischen den Betonfertigteilen entstehenden Horizontalfugen werden üblicherweise als Trockenfugen ausgeführt. Aufgrund der fehlenden Ausgleichsschicht in der Fuge entstehen erhöhte Anforderungen an die Genauigkeit der Fugenoberflächen. Aus Messdaten von realen Segmenten von Windenergieanlagen konnte abgeleitet werden, dass die Fugenoberflächen Ungenauigkeiten hinsichtlich der Querschnittsform und Ebenheit aufweisen. Mittels numerischer Simulationen wurde der Einfluss dieser Imperfektionen auf das Fugentragverhalten unter kombinierter Belastung aus Vorspannung, Biegung und Torsion untersucht. Es zeigt sich, dass in Abhängigkeit von der Imperfektionsart und vom Vorspanngrad Imperfektionen das Fugentragverhalten erheblich beeinflussen können.
Mental health disorders among ovarian cancer survivors in a population‐based cohort
Authors: Hu Siqi , Baraghoshi David , Chang Chun‐Pin , Rowe Kerry , Snyder John , Deshmukh Vikrant , Newman Michael , Fraser Alison , Smith Ken , Peoples Anita R. , Gaffney David , Hashibe Mia 
Published: July 2022

AbstractBackgroundOvarian cancer is the fifth most common female cancer in the United States. There have been very few studies investigating mental health diagnoses among ovarian cancer survivors with long‐term follow up. The aim of this study is to examine the incidence of mental illness among ovarian cancer survivors compared to a general population cohort. A secondary aim is to investigate risk factors for mental illnesses among ovarian cancer survivors.Patients and methodsCohorts of 1689 ovarian cancer patients diagnosed between 1996 and 2012 and 7038 women without cancer matched by age and birth state from the general population were identified. Mental health diagnoses were identified from electronic medical records and statewide healthcare facilities data. Cox proportional hazard models were used to estimate hazard ratios (HRs).ResultsOvarian cancer survivors experienced increased risks of mental illnesses within the first 2 years after cancer diagnosis (HR = 3.55, 95% CI = 3.04–4.14). The risks of depression among ovarian cancer survivors were nearly 3‐fold within the first 2 years of cancer diagnosis (HR = 2.59, 95% CI = 1.94–3.47), and 1.69‐fold at 2–5 years after cancer diagnosis (HR = 1.69, 95% CI = 1.18–2.42). Ovarian cancer survivors experienced an 80% increased risk of death with a mental illness diagnosis (HR = 1.80, 95% CI = 1.48–2.18) and a 94% increased risk of death with a depression diagnosis (HR = 1.94, 95% CI = 1.56–2.40).ConclusionsHigher risks of mental illnesses were observed among ovarian cancer survivors throughout the follow‐up periods of 0–2 years and 2–5 years after cancer diagnosis. Multidisciplinary care is needed to monitor and treat mental illnesses among ovarian cancer survivors.
Trace‐Level Phenolics Detection Based on Composite PAN‐MWCNTs Nanofibers
Authors: Özer Elif Merve , Apetrei Roxana‐Mihaela , Camurlu Pinar 
Published: July 2022

AbstractIn view of major concerns regarding toxicity (genotoxic, mutagenic, hepatotoxic) of phenolics, there is an on‐going necessity for sensitive and accurate analytical procedures for detection and measurements in environmental field, water, and food quality control. The current study proposes composite polyacrylonitrile nanofibrous assemblies enriched with multi‐wall carbon nanotubes (PAN‐MWCNTs NFs) as suitable immobilization platforms for cross‐linking of tyrosinase in detection of both diphenols and monophenols, which are of much interest in water contamination. The prepared biosensor (Pt/PAN‐MWCNTs/Tyr) showed high sensitivity in catechol detection (362.5 mA/M.cm2) and moderate sensitivity for the two monophenols (phenol, p‐chlorophenol) with 14.79 and 25.46 mA/M.cm2, respectively. The LOD values of the sensor were in the nanomolar range: 4.42×10−9, 4.06×10−7 and 1.05×10−7 M for catechol, phenol and p‐chlorophenol, respectively, allowing detection of trace amounts of phenolics in spiked water samples.
Using selection models to assess sensitivity to publication bias: A tutorial and call for more routine use
Authors: Maier Maximilian , VanderWeele Tyler J. , Mathur Maya B. 
Published: July 2022

AbstractIn meta‐analyses, it is critical to assess the extent to which publication bias might have compromised the results. Classical methods based on the funnel plot, including Egger's test and Trim‐and‐Fill, have become the de facto default methods to do so, with a large majority of recent meta‐analyses in top medical journals (85%) assessing for publication bias exclusively using these methods. However, these classical funnel plot methods have important limitations when used as the sole means of assessing publication bias: they essentially assume that the publication process favors large point estimates for small studies and does not affect the largest studies, and they can perform poorly when effects are heterogeneous. In light of these limitations, we recommend that meta‐analyses routinely apply other publication bias methods in addition to or instead of classical funnel plot methods. To this end, we describe how to use and interpret selection models. These methods make the often more realistic assumption that publication bias favors “statistically significant” results, and the methods also directly accommodate effect heterogeneity. Selection models have been established for decades in the statistics literature and are supported by user‐friendly software, yet remain rarely reported in many disciplines. We use a previously published meta‐analysis to demonstrate that selection models can yield insights that extend beyond those provided by funnel plot methods, suggesting the importance of establishing more comprehensive reporting practices for publication bias assessment.
Corporate social responsibility: Does it really matter in the luxury context?
Authors: Broccardo Laura , Culasso Francesca , Dhir Amandeep , Truant Elisa 
Published: July 2022

AbstractThe impact of CSR in the luxury sector has been less investigated than in the non‐luxury context, and the findings in the luxury context are not unidirectional. In recent years, researchers have begun exploring the link between CSR and luxury. These efforts have attempted to overcome the gap between theory and practice while also acknowledging that luxury and CSR can be considered conflicting concepts. This mixed picture underscores the need for further investigations. The current study aims to illuminate CSR in the luxury context by examining business model development and financial performance. In particular, we conducted an in‐depth longitudinal and qualitative analysis of a leading luxury company that had experienced an event that had negatively impacted CSR. Specifically, this event affected the supply chain, and the public indignation that ensued impacted the firm's financial performance. Our results revealed that in the case of a luxury organisation, CSR does not affect financial performance despite a negative event. Ultimately, the study offers insights into CSR in the luxury context by proposing a matrix to explain the various influences on a company's business model and financial performance.
Response of seismic isolated structures with supplemental rotational inertia
Authors: Makris Nicos , Moghimi Gholamreza 
Published: July 2022

AbstractMotivated by the effectiveness of inerters to control the displacements of flexible structures in association with their known property to eliminate the participation of higher modes, this paper revisits the seismic response analysis of the classical two‐degree‐of‐freedom isolated structure with supplemental rotational inertia in its isolation system. The paper shows that for the “critical” amount of rotational inertia which eliminates the participation of the second mode, the effect of this elimination is marginal on the structural response since the participation of the second mode is invariably small even when isolation systems without inerters are used. Our study, upon showing that the reaction force at the support of the inerter is appreciable, proceeds with a non‐linear response analysis that implements a state‐space formulation which accounts for the bilinear behavior of practical isolation system (single concave sliding bearings or lead‐rubber bearings) in association with the compliance of the support of the inerter. Our study concludes that supplemental rotational inertia aggravates the displacement and acceleration response of the superstructure and as a result, for larger isolation periods () the use of inerters in isolation systems is not recommended.
Screening of tall fescue genotypes for relative water content and osmotic potential under drought stress
Authors: Kirigwi Francis M. , Saha Malay C. 
Published: July 2022

AbstractBackgroundTall fescue (Festuca arundinacea Schreb.) is an important cool‐season perennial grass. Its persistence and forage yield can be severely affected by drought stresses during the hot, dry summers of the southern USA.MethodsOne thousand tall fescue genotypes were evaluated in the greenhouse for high relative water content (RWC) and low cell sap osmotic potential (OP). Fifty contrasting genotypes for the two traits were identified and used in further greenhouse and field studies. These genotypes were also screened with 30% PEG8000. Root and shoot characteristics were studied in 10 genotypes.ResultsThe genotypes differed for RWC (33.7%–97.3%, mean: 79.7%) and had an almost fivefold difference in OP (−0.5 to −2.4 MPa, mean: −1.2 MPa). Significant variation (p < 0.001) for the main effects of environment and genotypes was found for RWC and OP. Apart from the greenhouse trial, no correlation was found between RWC and OP, indicating that differences in RWC might have been due to factors other than osmotic adjustment. Genotypes with either long roots or high root weights, and high root/shoot ratios demonstrated high RWC and low OP.ConclusionsGenotypes with consistently high RWC and low OP were identified and used for the development of mapping populations and transcriptome studies.
Talking about health: Community ambassadors as a health promotion strategy to increase breast and bowel cancer screening in regional Australia
Authors: James Alexandra , Chamberlain Daniel , Azar Denise , Sewell Lauren 
Published: July 2022

AbstractIssue addressedIn Australia, cancer is the leading contributor to disease burden, with breast and bowel cancer among the most commonly diagnosed cancers. Despite the presence of community‐wide health promotion activities and screening programs, people living in regional and rural locations experience a number of factors that reduce breast and bowel cancer survival outcomes. This study investigates the ways that high‐risk community members in a regional area of Australia interact with health messaging about breast and bowel cancer screening.MethodsA qualitative research method was used to conduct 31 in‐depth one‐on‐one interviews with community members, leaders and essential service providers. A thematic approach was used to analyse data.ResultsFindings provided insight to the ways that health is spoken about within the community, what prompts discussion of health, trustworthy sources of health information and the significance of peer‐to‐peer communication.ConclusionsExisting community communication lines can be used to assist in delivering public health messages among high‐risk and vulnerable population groups. Utilising community ambassadors is identified as a health promotion method for hard‐to‐reach populations.So What?Conversations about health and screening amongst community members, and led by community members, play a key role in shaping engagement with cancer screening programs and represent an important site for health promotion activities. These findings have implications for future public health initiatives amongst high‐risk groups in regional locations.
Trade openness and growth: A network‐based approach
Authors: Duernecker Georg , Meyer Moritz , Vega‐Redondo Fernando 
Published: July 2022

AbstractWe propose a novel approach to the study of international trade based on a theory of country integration that embodies a broad systemic viewpoint on the relationship between trade and growth. Our model leads to an indicator of country openness that measures a country's level of integration through the full architecture of its connections in the trade network. We apply our methodology to a sample of 204 countries and find a sizable and significant positive relationship between our integration measure and a country's growth rate, while that of the traditional measures of outward orientation is only minor and statistically insignificant.
Do rural banks matter that much? Burgess and Pande (2005) reconsidered
Authors: Buliskeria Nino , Baxa Jaromir 
Published: July 2022

SummaryWe replicate Burgess and Pande's (2005) analysis of the effect of India's state‐led bank expansion on poverty. The authors instrument rural bank branch expansion by its trend reversal explained by the 1977 licensing rule and find that the bank expansion decreased poverty. However, the authors do not consider other licensing rule amendments and concurrent policies. Thus, their instrument is not necessarily exogenous to poverty. We show that the significant effect of bank expansion on poverty disappears after summarizing the trend reversal with more breaks linked to the bank licensing policy.
Broad‐ranging review: configurations, membrane types, governing equations, and influencing factors on microbial desalination cell technology
Authors: Abd‐almohi Hussein H , Alismaeel Ziad T , M‐Ridha Mohanad J. 
Published: July 2022

AbstractSeawater might serve as a fresh‐water supply for future generations to help meet the growing need for clean drinking water. Desalination and waste management using newer and more energy intensive processes are not viable options in the long term. Thus, an integrated and sustainable strategy is required to accomplish cost‐effective desalination via wastewater treatment. A microbial desalination cell (MDC) is a new technology that can treat wastewater, desalinate saltwater, and produce green energy simultaneously. Bio‐electrochemical oxidation of wastewater organics creates power using this method. Desalination and the creation of value‐added by‐products are expected because of this ionic movement. According to assessments, recent investigations on MDC configurations have led to significant changes in their operating characteristics, as well as their design and operational factors. Additionally, the study notes the expanding uses of MDC in bioremediation, nutrient recovery, water softening, and value‐added chemical manufacturing. Significant results show that the MDC system produced outstanding desalination without the need for external power, in addition to achieving wastewater treatment and energy recovery without the need for intermediary processes. When it comes to its practical application, some of the technical obstacles include keeping pH stable in cathodic and anodic fluids, increasing internal resistance using catalysts as electrode fillers, along with issues of biofouling and durability. Although MDC technology is currently being developed and scaled up, additional research on membrane fouling avoidance, material feasibility, electron transport kinetics, growth of microorganisms, and catalyst durability is needed. © 2022 Society of Chemical Industry (SCI).