bluuebunny/crossref_metadata_2025 huggingface dataset:
Association of a Combination of Healthy Lifestyle Behaviors With Reduced Risk of Incident Systemic Lupus Erythematosus
Authors: Choi May Y. , Hahn Jill , Malspeis Susan , Stevens Emma F. , Karlson Elizabeth W. , Sparks Jeffrey A. , Yoshida Kazuki , Kubzansky Laura , Costenbader Karen H.
Published: July 2021

Objective

While previous studies have demonstrated an association between individual factors related to lifestyle and the risk of systemic lupus erythematosus (SLE), it is unclear how the combination of these factors might affect the risk of incident SLE. This study was undertaken to prospectively evaluate whether a combination of healthy lifestyle factors is associated with a lower risk of incident SLE and its subtypes (anti–double‐stranded DNA [anti‐dsDNA]–positive and anti‐dsDNA–negative SLE).

Methods

The study included 185,962 women from the Nurses’ Health Study (NHS) and NHSII cohorts, among whom there were 203 incident cases of SLE (96 with anti‐dsDNA–positive SLE, 107 with anti‐dsDNA–negative SLE) during 4,649,477 person‐years of follow‐up. The Healthy Lifestyle Index Score (HLIS) was calculated at baseline and approximately every 2 years during follow‐up, with scores assigned for 5 healthy lifestyle factors: alcohol consumption, body mass index, smoking, diet, and exercise. A time‐varying Cox proportional hazards regression model was used to estimate the adjusted hazard ratios (HRs) with 95% confidence intervals (95% CIs) for the risk of SLE. In addition, the percentage of partial population attributable risk (PAR%) of SLE development was calculated.

Results

A higher HLIS was associated with a lower risk of SLE overall (HR 0.81 [95% CI 0.71–0.94]) and a lower risk of anti‐dsDNA–positive SLE (HR 0.78 [95% CI 0.63–0.95]). Women with ≥4 healthy lifestyle factors had the lowest risk of SLE overall (HR 0.42, 95% CI 0.25–0.70) and lowest risk of anti‐dsDNA–positive SLE (HR 0.35, 95% CI 0.17–0.75) as compared to women with only 1 healthy behavior or no healthy behaviors. The PAR% of SLE development was 47.7% (95% CI 23.1–66.6%), assuming that the entire population had adhered to at least 4 healthy lifestyle behaviors.

Conclusion

These results indicate that the risk of developing SLE, a disease in which significant evidence of genetic involvement has been established, might be reduced by nearly 50% with adherence to modifiable healthy lifestyle behaviors.
Recent Advances of Zinc‐based Antimicrobial Materials
Authors: Riduan Siti Nurhanna , Zhang Yugen
Published: July 2021

Zinc has been widely utilized as an antimicrobial material, often in the form of complexes or zinc oxide nanoparticles. The efficacy of zinc complexes are often due to the synergistic effect of both the zinc ions and the attached organic ligands. In contrast, the nanoparticle effect of ZnO, and the photocatalytic generation of reactive oxygen species (ROS) has been postulated to be the effective mechanism of ZnO as a biocide. Recently, new forms of zinc‐based biocidal materials have been reported with distinct antimicrobial mechanisms. This minireview summarizes these recent advances, including zinc‐based nano‐arrays, MOF‐based ROS release and zinc composites that can self‐generate ROS.
Fetal exposure to tofacitinib during the first trimester: A healthy newborn case report
Authors: Fernández‐Sánchez Mireya , Ribes‐Artero Hugo , Romá‐Sánchez Eva , Gómez‐Portero M. Rosa , Guerrero‐Hurtado Eduardo , García‐Pellicer Javier , Poveda‐Andrés Jose Luis
Published: July 2021

Introduction

Preclinical studies with tofacitinib demonstrated teratogenic effects. Data about effects on human fetuses are limited and current recommendations are to immediately discontinue the treatment. Our purpose is to report a case of exposure to tofacitinib during the first trimester of pregnancy.

Case Summary

A 40‐year‐old woman with psoriatic arthritis became pregnant during the first month of treatment with tofacitinib. Tofacitinib was interrupted immediately, and parents were informed about the possible risks of teratogenicity. At the end of pregnancy, our patient gave birth to a healthy newborn.

Conclusion

All the available evidence of tofacitinib exposure during pregnancy in humans belongs to outcomes of unexpected pregnancies in the context of clinical trials and post‐marketing cases. This case may contribute to enriching available data about teratogenic risks of tofacitinib exposure during pregnancy.
In silico process characterization for biopharmaceutical development following the quality by design concept
Authors: Saleh David , Wang Gang , Rischawy Federico , Kluters Simon , Studts Joey , Hubbuch Jürgen
Published: July 2021

With the quality by design (QbD) initiative, regulatory authorities demand a consistent drug quality originating from a well‐understood manufacturing process. This study demonstrates the application of a previously published mechanistic chromatography model to the in silico process characterization (PCS) of a monoclonal antibody polishing step. The proposed modeling workflow covered the main tasks of traditional PCS studies following the QbD principles, including criticality assessment of 11 process parameters and establishment of their proven acceptable ranges of operation. Analyzing effects of multi‐variate sampling of process parameters on the purification outcome allowed identification of the edge‐of‐failure. Experimental validation of in silico results demanded approximately 75% less experiments compared to a purely wet‐lab based PCS study. Stochastic simulation, considering the measured variances of process parameters and loading material composition, was used to estimate the capability of the process to meet the acceptance criteria for critical quality attributes and key performance indicators. The proposed workflow enables the implementation of digital process twins as QbD tool for improved development of biopharmaceutical manufacturing processes.
An aberrant DNA methylation signature for predicting the prognosis of head and neck squamous cell carcinoma
Authors: Chen Dayang , Wang Mengmeng , Guo Ying , Wu Wei , Ji Xiang , Dou Xiaowen , Tang Huamei , Zong Zengyan , Zhang Xiuming , Xiong Dan
Published: July 2021

Head and neck squamous cell carcinoma (HNSCC) is a common malignancy worldwide with a poor prognosis. DNA methylation is an epigenetic modification that plays a critical role in the etiology and pathogenesis of HNSCC. The current study aimed to develop a predictive methylation signature based on bioinformatics analysis to improve the prognosis and optimize therapeutic outcome in HNSCC. Clinical information and methylation sequencing data of patients with HNSCC were downloaded from The Cancer Genome Atlas database. The R package was used to identify differentially methylated genes (DMGs) between HNSCC and adjacent normal tissues. We identified 22 DMGs associated with 246 differentially methylated sites. Patients with HNSCC were classified into training and test groups. Cox regression analysis was used to build a risk score formula based on the five methylation sites (cg26428455, cg13754259, cg17421709, cg19229344, and cg11668749) in the training group. The Kaplan–Meier survival curves showed that the overall survival (OS) rates were significantly different between the high‐ and low‐risk groups sorted by the signature in the training group (median: 1.38 vs. 1.57 years, log‐rank test, p < 0.001). The predictive power was then validated in the test group (median: 1.34 vs. 1.75 years, log‐rank test, p < 0.001). The area under the receiver operating characteristic curve (area under the curve) based on the signature for predicting the 5‐year survival rates, was 0.7 in the training and 0.73 in test groups, respectively. The results of multivariate Cox regression analysis showed that the riskscore (RS) signature based on the five methylation sites was an independent prognostic tool for OS prediction in patients. In addition, a predictive nomogram model that incorporated the RS signature and patient clinical information was developed. The innovative methylation signature‐based model developed in our study represents a robust prognostic tool for guiding clinical therapy and predicting the OS in patients with HNSCC.
α‐Glucosidase Inhibition Action of Major Flavonoids Identified from Hypericum Attenuatum Choisy and Their Synergistic Effects
Authors: Jin Du‐Xin , He Jun‐Fang , Zhang Ke‐Qin , Luo Xue‐Gang , Zhang Tong‐Cun
Published: July 2021

Hypericum attenuatum Choisy is a traditional Chinese herbal plant with multiple therapeutic effects. In this study, bioactivity‐guided fractionation of Hypericum attenuatum Choisy extracts afforded three major flavonoids (including astragalin, guaijaverin and quercetin), which possessed α‐Glucosidase inhibitory activity with IC50 values of 33.90±0.68 μM, 17.23±0.75 μM and 31.90±0.34 μM, respectively. Circular dichroism analysis revealed that all the three compounds could interact with α‐glucosidase by inducing conformational changes of the enzyme. Molecular docking results indicated that they could bind to the active site in α‐glucosidase, and the binding force was driven mainly by hydrogen bond. Additionally, isobolographic analysis of the interactions between two compounds showed that all the combinations presented a synergistic α‐glucosidase inhibitory effect at lower concentrations, and the combination between quercetin and guaijaverin or astragalin exhibited the best synergistic effect. This research might provide a theoretical basis for the application of Hypericum attenuatum Choisy in treating hyperglycemia.
Ruthenium(II) Complex‐Based G‐quadruplex DNA Selective Luminescent ‘Light‐up’ Probe for RNase H Activity Detection
Authors: Sheet Sanjoy Kumar , Rabha Monosh , Sen Bhaskar , Patra Sumit Kumar , Aguan Kripamoy , Khatua Snehadrinarayan
Published: July 2021

A bis‐heteroleptic ruthenium(II) complex, 1[PF6]2 of benzothiazole amide substituted 2,2′‐bipyridine ligand (bmbbipy) has been synthesized for the selective detection of G‐quadruplex (GQ) DNA and luminescence‐assay‐based RNase H activity monitoring. Compound 1[PF6]2 exhibited aggregation‐caused quenching (ACQ) in water. Aggregate formation was supported by DLS, UV‐vis, and 1H NMR spectroscopy results, and the morphology of aggregated particles was witnessed by SEM and TEM. 1[PF6]2 acted as an efficient GQ DNA‐selective luminescent light‐up probe over single‐stranded and double‐stranded DNA. The competency of 1[PF6]2 for selective GQ structure detection was established by PL and CD spectroscopy. For 1[PF6]2, the PL light‐up is exclusively due to the rigidification of the benzothiazole amide side arm in the presence of GQ‐DNA. The interaction between the probe and GQ‐DNA was analyzed by molecular docking analysis. The GQ structure detection capability of 1[PF6]2 was further applied in the luminescent ‘off‐on’ RNase H activity detection. The assay utilized an RNA:DNA hybrid, obtained from 22AG2‐RNA and 22AG2‐DNA sequences. RNase H solely hydrolyzed the RNA of the RNA:DNA duplex and released G‐rich 22AG2‐DNA, which was detected via the PL enhancement of 1[PF6]2. The selectivity of RNase H activity detection over various other restriction enzymes was also demonstrated.
Identification and genetic characterization of extra soft kernel texture in soft kernel durum wheat (Triticum turgidum ssp. durum)
Authors: Ibba Maria Itria , Kumar Neeraj , Morris Craig F.
Published: July 2021

Background and objectives

Kernel texture (grain hardness) is a key determinant of wheat quality and utilization. Among soft wheats, softer kernels possess some advantages in processing and end‐product quality. Here, an extra soft kernel phenotype was identified and characterized in soft kernel durum wheat.

Findings

A RIL population was developed by crossing “Soft Strongfield” with Kamut Khorasan wheat. Progeny kernels were selected for chalky appearance in the F2, F3, and F4. Kernel texture phenotypes measured by the SKCS in the F5, F6, and F7 were all less than 20 and ranged down to −12.6. Among F5:7 full‐sib RILs, there was indication of a single segregating genetic locus that was associated with a difference of about 7 SKCS hardness index (HI) units. Single marker–trait association and composite interval mapping both identified significant QTLs on chromosomes 4B and 1B with phenotypic effects of about 5 and 4 HI, respectively.

Conclusions

QTL detected in the present study may be used to reduce kernel texture in soft durum to below zero, creating “extra soft” durum. These QTLs should also be available to be used in hard kernel durum to reduce kernel texture and may be transferrable to hexaploid wheat.

Significance and novelty

The creation of soft kernel durum wheat expanded the processing, end‐product quality, and utilization of durum wheat. A further reduction in kernel softness may expand further durum wheat's importance as a global food.
Oxidative Coupling of Coumarins by Blue‐LED‐Driven in situ Activation of Horseradish Peroxidase in a Two‐Liquid‐Phase System
Authors: Zippilli Claudio , Bizzarri Bruno Mattia , Gabellone Sofia , Botta Lorenzo , Saladino Raffaele
Published: July 2021

A blue‐LED‐driven two‐liquid‐phase system has been set up for the in situ activation of horseradish peroxidase avoiding the use of hydrogen peroxide and drawbacks related to enzyme denaturation and undesired radical side‐reactions. The photobiocatalytic system was applied for the oxidative coupling of natural and synthetic coumarins to bicoumarins, allowing to obtain homodimers in only one step, avoiding the use of tedious protecting groups. Two natural C‐2 symmetric bicoumarins derived from the coupling of scopoletin were synthesized for the first time. UV‐visible spectrophotometry analysis confirmed the radical‐free and blue‐LED‐driven in situ oxidation of the green solvent 2‐methyltetrahydrofuran to the corresponding hydroperoxide, which in turn oxidizes the ferric heme of horseradish peroxidase to ferryl intermediate, triggering the oxidative coupling reaction.
Selbstheilende Polymere – auch rezyklierbar
Authors: Marinow Anja , Rupp Harald , Binder Wolfgang H.
Published: July 2021

Während noch vor wenigen Jahren selbstheilende Materialien eher als Konzept denn als brauchbare Alternative zu bestehenden Materialien angesehen wurden, hat sich dies inzwischen geändert. Besonders wenn es um eher geringe Materialmengen in Produkten geht (Beschichtungen, Elektrolyte, elektronische Bauteile) ist der Einsatz von Selbstheilung durchaus zielführend und auch wirtschaftlich ansprechend. Auch bei Massenanwendungen wie im Automobilbereich werden solche Konzepte bereits umgesetzt. Insgesamt ist aber immer eine grundlegende technologische Anpassung von Prozessen und auch Materialien nötig, wenn man neue Wege geht. Es ist erkennbar, dass die Industrie – sicher auch im Spannungsfeld von Umweltaspekten – bereit ist, diesen Weg zu gehen und selbstheilende, neue Materialien und Polymere breitflächig einzusetzen.
Combined molecular and histologic end points inform cancer risk estimates for thyroid nodules classified as atypia of undetermined significance
Authors: Onken Allison M. , VanderLaan Paul A. , Hennessey James V. , Hartzband Pamela , Nishino Michiya
Published: July 2021

Background

Thyroid nodules classified as atypia of uncertain significance (AUS) on fine‐needle aspiration cytology are heterogeneous. Prior studies reported a higher risk of noninvasive follicular thyroid neoplasm with papillary‐like nuclear features (NIFTP)/cancer among AUS nodules that had cytologic (AUS‐C) versus architectural (AUS‐A) atypia; however, such studies were generally confined to resected cohorts, introducing bias into risk calculations. The authors hypothesized that combined histologic and molecular end points would permit clinically meaningful calculations of NIFTP/malignancy risk among AUS nodules.

Methods

The study consisted of 279 thyroid nodules classified as AUS on initial fine‐needle aspiration and tested by the Afirma Gene Expression Classifier (GEC) between June 2013 and October 2017. Results of GEC testing and histopathologic diagnoses were stratified by AUS classifiers. The AUS‐A category was further subclassified as 1) hypocellular microfollicular or 2) cellular with mixed but predominantly microfollicular architecture. NIFTP/cancer risk was calculated for each subgroup, with the inclusion of unresected nodules that had benign GEC results as low‐risk end points comparable to histologically benign nodules.

Results

When only histologic end points were considered, there was no difference in NIFTP/cancer risk (25% vs 23%; P = .82). By using molecular and histologic end points, AUS cases with cytologic atypia trended toward higher NIFTP/cancer risk than AUS‐A cases (14% vs 6%; P = .06). Furthermore, AUS‐A cases showed a trend toward lower NIFTP/cancer risk for hypocellular microfollicular aspirates (3%) compared with cellular samples that had mixed/predominantly microfollicular architecture (13%; P = .18).

Conclusions

The inclusion of unresected benign GEC nodules in risk‐of‐malignancy calculations provides more accurate results, which may be helpful for informing patient management as well as quality improvement in the cytopathology laboratory.
Rational Development of a Metal‐Free Bifunctional System for the C−H Activation of Methane: A Density Functional Theory Investigation
Authors: Mahaut Damien , Chardon Aurélien , Mineur Loïc , Berionni Guillaume , Champagne Benoît
Published: July 2021

The activation or heterolytic splitting of methane, a challenging substrate usually restricted to transition metals, has so far proven elusive in experimental frustrated Lewis pair (FLP) chemistry. In this article, we demonstrate, using density functional theory (DFT), that 1‐aza‐9‐boratriptycene is a conceptually simple intramolecular FLP for the activation of methane. Systematic comparison with other FLP systems allows to gain insight into their reactivity with methane. The thermodynamics and kinetics of methane activation are interpreted by referring to the analysis of the natural charges and by employing the distortion‐interaction/activation strain (DIAS) model. These showed that the nature of the Lewis base influences the selectivity over the reaction pathway, with N Lewis bases favoring the deprotonation mechanism and P bases the hydride abstraction one. The lower barrier of activation for 1‐aza‐9‐boratriptycene and the higher products stability are due to a better interaction energy than its counterparts, itself due to electrostatic interactions with the methane moiety, favorable orbital overlaps allowed by the side‐attack, and space proximity between the B and N atoms.
Collaborative governance: The role of university centers, institutes, and programs
Authors: Kern Michael A. , Smutko L. Steven
Published: July 2021

For almost four decades, universities have played a significant role in developing the field of collaborative governance in the United States, including the establishment of centers that contribute to teaching and training, research and scholarship, and practice. In this article, we describe the evolution of university‐based collaborative governance in the United States, summarize results and key findings from a survey of centers, identify a typology of centers, describe how these centers have adapted to fit the states and regions where they operate, present two centers as examples, and make observations about the future of collaborative governance at universities.
Low‐Temperature Methanol‐Water Reforming Over Alcohol Dehydrogenase and Immobilized Ruthenium Complex
Authors: Shen Yangbin , Wang Luqi , Xu Ziwen , Ning Fandi , Zhan Yulu , Bai Chuang , Zhou Xiaochun
Published: July 2021

Hydrogen is one of the most promising sustainable energy carriers for its high gravimetric energy density and abundance. Nowadays, hydrogen production and storage are the main constraints for its commercialization. As a current research focus, hydrogen production from methanol‐water reforming, especially at low temperature, is particularly important. In this study, a novel reaction path for low‐temperature methanol reforming through synergistic catalysis was developed. Alcohol dehydrogenase (ADH) and coenzyme I (nicotinamide adenine dinucleotide, NAD+) were employed for methanol catalytic dehydrogenation at low temperature, which could generate formaldehyde and reductive coenzyme I (NADH). Covalent triazine framework‐immobilized ruthenium complex (Ru‐CTF) was prepared afterwards. On one hand, the catalyst exhibited high activity for the formaldehyde–water shift reaction to generate hydrogen and carbon dioxide. On the other hand, the NADH dehydrogenation was also catalyzed by the Ru‐CTF, producing NAD+ and hydrogen. Additionally, the catalyst also showed high biocompatibility with ADH. Through the synergistic effect of the above two main processes, methanol could be converted into hydrogen and carbon dioxide stably at low temperature for more than 96 h. The hydrogen production rate was dependent on the pH of the reaction solution as well as the ADH dosage. A hydrogen production rate of 157 mmol h−1 mol−1Ru was achieved at the optimum pH (8.1). Additionally, the hydrogen production rate increased linearly with the ADH dosage, reaching 578 mmol h−1 mol−1Ru when the ADH dosage was 180 U at 35 °C. This research could not only help overcome the difficulties for methanol reforming near room temperature but also give new inspiration for designing new reaction pathways for methanol reforming.
The advent of ab initio simulations of dense plasmas
Authors: Clérouin Jean , Recoules Vanina , Soubiran Francois
Published: July 2021

We present the story of full three‐dimensional ab initio simulation techniques of dense plasmas based on the Kohn–Sham realization of the density functional theory, starting from early attempts using the Car–Parrinello method to the most recent approaches based on density matrix. We recall the decisive role played by two experiments, one on the Nova laser and the other at a much smaller scale, with pulsed electrical discharges. We emphasize that the essential roles of the Physics of Non‐Ideal Plasmas (PNP) and Strongly Coupled Coulomb Systems (SCCS) conference series were most results, and simulation tools were presented and discussed under the benevolent presence of Vladimir Fortov.
Grazing alters species relative abundance by affecting plant functional traits in a Tibetan subalpine meadow
Authors: He Qifang , Jiang Kai , Hou Weicheng , Zhao Yang , Sun Xinhang , Wang Lu , Zou Yike , Zhu Zhenhao , Zhang Hui
Published: July 2021

Domestic livestock grazing has caused dramatic changes in plant community composition across the globe. However, the response of plant species abundance in communities subject to grazing has not often been investigated through a functional lens, especially for belowground traits. Grazing directly impacts aboveground plant tissues, but the relationships between above‐ and belowground traits, and their influence on species abundance are also not well known. We collected plant trait and species relative abundance data in the grazed and nongrazed meadow plant communities in a species‐rich subalpine ecosystem of the Qinghai–Tibet Plateau. We measured three aboveground traits (leaf photosynthesis rate, specific leaf area, and maximum height) and five belowground traits (root average diameter, root biomass, specific root length, root tissue density, and specific root area). We tested for shifts in the relationship between species relative abundance and among all measured traits under grazing compared with the nongrazed meadow. We also compared the power of above‐ and belowground traits to predict species relative abundance. We observed a significant shift from a resource conservation strategy to a resource acquisition strategy. Moreover, this resource conservation versus resource acquisition trade‐off can also determine species relative abundance in the grazed and nongrazed plant communities. Specifically, abundant species in the nongrazed meadow had aboveground and belowground traits that are associated with high resource conservation, whereas aboveground and belowground traits that are correlated with high resource acquisition determined species relative abundance in the grazed meadow. However, belowground traits were found to explain more variances in species relative abundance than aboveground traits in the nongrazed meadow, while aboveground and belowground traits had comparable predictive power in the grazed meadow. We show that species relative abundance in both the grazed and the nongrazed meadows can be predicted by both aboveground traits and belowground traits associated with a resource acquisition versus conservation trade‐off. More importantly, we show that belowground traits have higher predictive power of species relative abundance than aboveground traits in the nongrazed meadow, whereas in the grazed meadows, above‐ and belowground traits had comparable high predictive power.
Disparate movement behavior and feeding ecology in sympatric ecotypes of Atlantic cod
Authors: Kristensen Martin Lykke , Olsen Esben Moland , Moland Even , Knutsen Halvor , Grønkjær Peter , Koed Anders , Källo Kristi , Aarestrup Kim
Published: July 2021

Coexistence of ecotypes, genetically divergent population units, is a widespread phenomenon, potentially affecting ecosystem functioning and local food web stability. In coastal Skagerrak, Atlantic cod (Gadus morhua) occur as two such coexisting ecotypes. We applied a combination of acoustic telemetry, genotyping, and stable isotope analysis to 72 individuals to investigate movement ecology and food niche of putative local “Fjord” and putative oceanic “North Sea” ecotypes—thus named based on previous molecular studies. Genotyping and individual origin assignment suggested 41 individuals were Fjord and 31 were North Sea ecotypes. Both ecotypes were found throughout the fjord. Seven percent of Fjord ecotype individuals left the study system during the study while 42% of North Sea individuals left, potentially homing to natal spawning grounds. Home range sizes were similar for the two ecotypes but highly variable among individuals. Fjord ecotype cod had significantly higher δ13C and δ15N stable isotope values than North Sea ecotype cod, suggesting they exploited different food niches. The results suggest coexisting ecotypes may possess innate differences in feeding and movement ecologies and may thus fill different functional roles in marine ecosystems. This highlights the importance of conserving interconnected populations to ensure stable ecosystem functioning and food web structures.
Top predator introduction changes the effects of spatial isolation on freshwater community structure
Authors: Pelinson Rodolfo Mei , Leibold Mathew A. , Schiesari Luis
Published: July 2021

Current conceptual metacommunity models predict that the consequences of local selective pressures on community structure increase with spatial isolation when species favored by local conditions also have higher dispersal rates. This appears to be the case of freshwater insects in the presence of fish. The introduction of predatory fish can produce trophic cascades in freshwater habitats because fish tend to prey upon intermediate predatory taxa, such as predatory insects, indirectly benefiting herbivores and detritivores. Similarly, spatial isolation can limit dispersal and colonization rates of predatory insects more strongly than of herbivores and detritivores, thus generating similar cascading effects. Here we tested the hypothesis that the effect of introduced predatory fish on insect community structure increases with spatial isolation by conducting a field experiment in artificial ponds that manipulated the presence/absence of fish (the redbreast tilapia) at three different distances from a source wetland. Our results showed that fish have direct negative effects on the abundance of predatory insects but probably have variable net effects on the abundance of herbivores and detritivores because the direct negative effects of predation by fish may offset indirect positive ones. Spatial isolation also resulted in indirect positive effects on the abundance of herbivores and detritivores but this effect was stronger in the absence rather than in the presence of fish so that insect communities diverged more strongly between fish and fishless ponds at higher spatial isolation. We argue that an important additional mechanism, ignored in our initial hypothesis, was that as spatial isolation increases fish predation pressure upon herbivores and detritivores increases due to the relative scarcity of predatory insects, thus dampening the positive effect that spatial isolation confers to lower trophic levels. Our results highlight the importance of considering interspecific variation in dispersal and multiple trophic levels to better understand the processes generating community and metacommunity patterns.
Electrochemical Kinetic Modulators in Lithium–Sulfur Batteries: From Defect‐Rich Catalysts to Single Atomic Catalysts
Authors: Zhang Jing , You Caiyin , Lin Hongzhen , Wang Jian
Published: July 2021

Lithium–sulfur batteries exhibit unparalleled merits in theoretical energy density (2600 W h kg−1) among next‐generation storage systems. However, the sluggish electrochemical kinetics of sulfur reduction reactions, sulfide oxidation reactions in the sulfur cathode, and the lithium dendrite growth resulted from uncontrollable lithium behaviors in lithium anode have inhibited high‐rate conversions and uniform deposition to achieve high performances. Thanks to the “adsorption‐catalysis” synergetic effects, the reaction kinetics of sulfur reduction reactions/sulfide oxidation reactions composed of the delithiation of Li2S and the interconversions of sulfur species are propelled by lowering the delithiation/diffusion energy barriers, inhibiting polysulfide shuttling. Meanwhile, the anodic plating kinetic behaviors modulated by the catalysts tend to uniformize without dendrite growth. In this review, the various active catalysts in modulating lithium behaviors are summarized, especially for the defect‐rich catalysts and single atomic catalysts. The working mechanisms of these highly active catalysts revealed from theoretical simulation to in situ/operando characterizations are also highlighted. Furthermore, the opportunities of future higher performance enhancement to realize practical applications of lithium–sulfur batteries are prospected, shedding light on the future practical development.
Continuous Shape Measures Study of the Coordination Spheres of Actinide Complexes – Part 1: Low Coordination Numbers
Authors: Alvarez Santiago
Published: July 2021

Structural analyses of a large set of molecular structures of actinide compounds allow us to establish trends for stereochemical preferences, common distortion paths, geometrical constraints imposed by different ligand topologies, and the existence of incipient bonds or of Van der Waals intramolecular interactions on purportedly vacant coordination sites. In this study the relative abundance of coordination numbers in actinide chemistry appears to be on average higher than that among the lanthanides. The detailed continuous shape measures study of normalized coordination polyhedra with coordination numbers between 1 and 6 presented here is based on more than 1,800 solid state and gas phase structural data sets.
Synthesis, Coordination and Electrochemistry of a Ferrocenyl‐Tagged Aminobisphosphane Ligand
Authors: Navrátil Michal , Císařová Ivana , Štěpnička Petr
Published: July 2021

Introducing a ferrocene moiety into a molecule results in the incorporation of a metal center and a redox active moiety. This contribution describes the synthesis of FcN(CH2PPh2)2 (1; Fc=ferrocenyl), a ferrocene analog of the widely studied bis‐phosphane pincer ligands, RN(CH2PPh2)2. Compound 1 was studied as a ligand in complexes of Group 10 and 11 metal ions. The following compounds were synthesized and characterized using a combination of spectroscopic methods and single‐crystal X‐ray diffraction analysis: the square planar complexes [MX2(1‐κ2P,P’)] (M/X=Ni/Cl, Pd/Cl, Pd/Br, Pd/I and Pt/Cl) and the tetrahedral complexes [M(1‐κ2P,P’)2]X (M/X=Cu/PF6, Ag/SbF6 and Au/SbF6). Furthermore, a pair of open and cyclic digold(I) complexes containing bis‐phosphane 1 as a P,P‐bridging ligand, viz. [(μ(P,P’)‐1)(AuCl)2] and [(μ(P,P’)‐1)2Au2][SbF6]2, were isolated. Ligand 1, the corresponding phosphane selenide 1‐Se and all complexes (except for the poorly soluble [(μ(P,P’)‐1)2Au2][SbF6] and unstable [Ag(1‐κ2P,P’)2][SbF6]) were further analyzed by cyclic voltammetry.
Electrochemical and Spectroscopic Studies on Triarylamine‐Polychlorotriphenylmethyl Dyads with Particularly Strong Triarylamine Donors
Authors: Breimaier Stefanie , Winter Rainer F.
Published: July 2021

We present two new donor‐acceptor dyads composed of a polychlorotriphenylmethyl radical (PTM.) as the acceptor (A) and bis(4‐dimethylaminophenyl)(phenyl)amine (TPAN) or 2,2’:6’,2’’:6’’,6‐trioxytriphenylamine (TOTA) as particularly electron‐rich triarylamine (TAA) donors (D). We assessed their electrochemical properties and electronic structures by cyclic voltammetry, UV/vis/NIR spectroscopy, EPR spectroscopy and quantum chemical calculations. By establishing the spectroscopic fingerprints of the oxidized and reduced forms, we probe for the possible coexistence of a zwitterionic TAA+‐PTM− valence tautomer (VT), besides neutral TAA‐PTM.. UV/vis/NIR and EPR spectroscopic studies at variable temperature and in various solvents however provide no indication for such equilibria. Quantitative spin counting experiments by EPR spectroscopy and quantum chemical calculations indicate that the one‐electron oxidized forms of these dyads possess an open‐shell singlet ground state which is energetically slightly below the triplet state
Attitudes and attitude certainty guiding pro‐social behaviour as a function of perceived elaboration
Authors: Moreno Lorena , Requero Blanca , Santos David , Paredes Borja , Briñol Pablo , Petty Richard E.
Published: July 2021

This research examined the effect of perceived elaboration on the relationship between attitudes and prosocial behaviour. Study 1 revealed that group fusion was more predictive of pro‐group behaviour (donation to in‐group members) when perceived elaboration was high rather than low. In Study 2, attitudes toward helping were more likely to guide prosocial behaviour (helping others in a learning task) for participants who reported higher levels of perceived elaboration. Studies 3 and 4 manipulated perceptions of elaboration, demonstrating that attitudes guided subsequent hiring decisions (Study 3) and an actual behavioural choice in a natural setting (Study 4), and that this link was stronger for those participants induced to believe that they engaged in high (vs. low) elaboration. Furthermore, Studies 2 and 4 revealed that the effects of perceived elaboration on attitude‐behaviour correspondence were mediated by attitude certainty. The present research reveals that prosocial behaviour can be facilitated by taking into consideration meta‐cognitive processes that accompany evaluation (perceived elaboration and attitude certainty).
A Rigidity/Flexibility Compatible Strategy to Improve the Stability and Durability of Flexible Electrochemical Sensor Based on a Polydimethylsiloxane Membrane Supported Prussian Blue@Carbon Nanotube Array
Authors: Jiang Tao , Nan Wenjing , Han Lianhuan , Wei Hang , Wang Miao , Peng Juan , Chen Yong , Hou Xu , Zhan Dongping
Published: July 2021

Mechanical fatigue and mechanical‐chemical effect can harm the stability and durability of flexible electrochemical sensors and electronic devices. To solve the problem, we propose a rigidity/flexibility compatible strategy by implanting Prussian blue into the carbon nanotube array supported by polydimethylsiloxane (PDMS). The PDMS membrane is soft and flexible, and counteracts the external force; meanwhile, Prussian Blue@Carbon Nanotube Hybrid is hard and rigid for the reliable detection of hydrogen peroxide. Consequently, the cyclic voltammetric behavior of Prussian blue keep almost constant during the continuous bending experiments. The results indicate that the rigidity/flexibility compatible strategy is instructive to improve the performance of flexible electrochemical sensors and electronic devices.
Validation study of no‐pillar mining method without advance tunneling: A case study of a mine in China
Authors: Yang Xiaojie , Huang Ruifeng , Yang Gang , Wang Yajun , Cao Jindong , Liu Jianning , He Maochao
Published: July 2021

Studies regarding the reuse of a gob‐side roadway formed by the N00 longwall mining method are scarce. To investigate the mine pressure behavior characteristics during roadway reuse, the anchor cable force, roof‐to‐floor deformation, and working resistance of the hydraulic support obtained from the verification working face were analyzed. Test results show that the influence range of the mining‐induced pressure was 0‐90 m in front of the working face. The ratios of the first and periodic weighting steps between the entry‐retaining and non‐roof‐cutting sides were 20.25 and 1.94, respectively. However, the ratios of the ground pressure strengths at the two sides were 1.07 and 1.31, respectively. The results indicate that the monitored roadway can be classified into three deformation zones based on the severity of the mine pressure behavior: large, intermediate, and creep. The main roof between the adjacent working faces exhibited a failure type comprising the “O‐X” and “O‐Y” states, which resulted in an unconventional mine pressure behavior. This study provides insights into the N00 longwall mining method as well as important guidance for tackling similar geological conditions when using this mining method.
Investigation on the suppression characteristic of deoxidization gel foam on coal spontaneous combustion
Authors: Lu Xin‐xiao , Xue Xue , Wang Cheng‐yan , Shi Guo‐yu , Xing Yun , Han Yu
Published: July 2021

Mine fire caused by coal spontaneous combustion is one of the main safety problems in mining. For the purpose of developing a more effective inhibitor to suppress the coal spontaneous combustion, a compound deoxidization gel foam inhibitor was proposed by combining sodium dithionite deoxidizer with gel foam. An experimental platform was self‐built to evaluate the suppression characteristic of deoxidization gel foam. Experimental results showed that the deoxidization gel foam reduced the oxygen concentration to below 14% within 180 minutes. STA‐FTIR test indicated that the deoxidization gel foam raised the active temperature from 250.57°C to 275.18°C and reduced CO2 absorption peak from 0.2926 to 0.2201 at the reaction temperature 20°C. The activation energy was also increased from 85.69 to 95.59 kJ·mol−1 in thermal decomposition combustion that exhibited an excellent flame‐retardant efficacy on the coal, especially at the low temperature stage. CH3 and CH2 were reduced by 56.86% and 47.17% processed by deoxidization gel foam. Meanwhile, the significant reduction in the content of reductive functional groups indicated that the new inhibitor had a strong suppression capacity for coal spontaneous combustion. Based on above research, it is believed that this study will lay an important foundation in the widespread application of deoxidization gel foam technology for coal spontaneous combustion prevention in underground mines.
Transnasal transplantation of human induced pluripotent stem cell‐derived microglia to the brain of immunocompetent mice
Authors: Parajuli Bijay , Saito Hiroki , Shinozaki Youichi , Shigetomi Eiji , Miwa Hiroto , Yoneda Sosuke , Tanimura Miki , Omachi Shigeki , Asaki Toshiyuki , Takahashi Koji , Fujita Masahide , Nakashima Kinichi , Koizumi Schuichi
Published: July 2021

Microglia are the resident immune cells of the brain, and play essential roles in neuronal development, homeostatic function, and neurodegenerative disease. Human microglia are relatively different from mouse microglia. However, most research on human microglia is performed in vitro, which does not accurately represent microglia characteristics under in vivo conditions. To elucidate the in vivo characteristics of human microglia, methods have been developed to generate and transplant induced pluripotent or embryonic stem cell‐derived human microglia into neonatal or adult mouse brains. However, its widespread use remains limited by the technical difficulties of generating human microglia, as well as the need to use immune‐deficient mice and conduct invasive surgeries. To address these issues, we developed a simplified method to generate induced pluripotent stem cell‐derived human microglia and transplant them into the brain via a transnasal route in immunocompetent mice, in combination with a colony stimulating factor 1 receptor antagonist. We found that human microglia were able to migrate through the cribriform plate to different regions of the brain, proliferate, and become the dominant microglia in a region‐specific manner by occupying the vacant niche when exogenous human cytokine is administered, for at least 60 days.
Differential transformation method to determine heat transfer in annular fins
Authors: Umrao Sarwe Deepak , Kulkarni Vinayak S.
Published: July 2021

Fins are the extended surfaces that are utilized to afford a significant increase in the surface area for heat transference between a heated source and a colder ambient liquid. To enhance the heat transference rate from the exterior surface of a circular conduit, radial, or concentric annular fins are used. Fins are utilized in heat exchanging devices like superheaters, electrical equipment, computer CPU heat sinks, car radiators, refrigeration, and heat exchangers. Motivated by these applications, the current paper explores the thermal attribute of an annular fin with variable thermal conductivity. The framed equations are articulated in terms of nonlinear ordinary differential equations. One of the most effective techniques, the differential transformation method has been implemented to find the analytical solution. The domination of nondimensional parameters on the thermal gradient of the fin has been analyzed graphically. Furthermore, the variation in radial and tangential stress in an annular fin for various dimensionless parameters has been examined with a graphical explanation. Results reveal that the thermal gradient of fin increases for improved values of variable thermal conductivity parameters. The greater values of thermogeometric parameters result in a higher heat transfer.
Tile drainage causes flashy streamflow response in Ohio watersheds
Authors: Miller Samuel A. , Lyon Steve W.
Published: July 2021

Artificial subsurface (tile) drainage is used to increase trafficability and crop yield in much of the Midwest due to soils with naturally poor drainage. Tile drainage has been researched extensively at the field scale, but knowledge gaps remain on how tile drainage influences the streamflow response at the watershed scale. The purpose of this study is to analyse the effect of tile drainage on the streamflow response for 59 Ohio watersheds with varying percentages of tile drainage and explore patterns between the Western Lake Erie Bloom Severity Index to streamflow response in heavily tile‐drained watersheds. Daily streamflow was downloaded from 2010 to 2019 and used to calculated mean annual peak daily runoff, mean annual runoff ratio, the percent of observations in which daily runoff exceeded mean annual runoff (TQmean), baseflow versus stormflow percentages, and the streamflow recession constant. Heavily‐drained watersheds (>40% of watershed area) consistently reported flashier streamflow behaviour compared to watersheds with low percentages of tile drainage (<15% of watershed area) as indicated by significantly lower baseflow percentages, TQmean, and streamflow recession constants. The mean baseflow percent for watersheds with high percentages of tile drainage was 20.9% compared to 40.3% for watersheds with low percentages of tile drainage. These results are in contrast to similar research regionally indicating greater baseflow proportions and less flashy hydrographs (higher TQmean) for heavily‐drained watersheds. Stormflow runoff metrics in heavily‐drained watersheds were significantly positively correlated to western Lake Erie algal bloom severity. Given the recent trend in more frequent large rain events and warmer temperatures in the Midwest, increased harmful algal bloom severity will continue to be an ecological and economic problem for the region if management efforts are not addressed at the source. Management practices that reduce the streamflow response time to storm events, such as buffer strips, wetland restoration, or drainage water management, are likely to improve the aquatic health conditions of downstream communities by limiting the transport of nutrients following storm events.
News media versus FRED‐MD for macroeconomic forecasting
Authors: Ellingsen Jon , Larsen Vegard H. , Thorsrud Leif Anders
Published: July 2021

Using a unique dataset of 22.5 million news articles from theDow Jones Newswires Archive, we perform an in depth real‐time out‐of‐sample forecasting comparison study with one of the most widely used data sets in the newer forecasting literature, namely theFRED‐MDdataset. Focusing on US GDP, consumption and investment growth, our results suggest that the news data contains information not captured by the hard economic indicators, and that the news‐based data are particularly informative for forecasting consumption developments.
The effects of edaravone, a free‐radical scavenger in lung injury induced by valproic acid demonstrated via different biochemical parameters
Authors: Bayrak Bertan B. , Yilmaz Sebahat , Hacihasanoglu Cakmak Neziha , Yanardag Refiye
Published: July 2021

In this study, we aimed to evaluate whether edaravone (EDA) has a protective role against valproic acid (VPA)‐induced lung damage via its antioxidative activity. Male Sprague–Dawley rats were split into four groups. Control (n = 8) rats; rats given EDA (30 mg kg−1 day−1;n = 10); rats given only (VPA, 500 mg kg−1 day−1;n = 10); rats given VPA + EDA (in the same dose and time) for 7 days. EDA and VPA were applied intraperitoneally. After 8 days, lung tissues were immediately taken from the rats. In lung homogenates, reduced glutathione, total antioxidant status levels, and superoxide dismutase, glutathione peroxidase, sodium/potassium ATPase, paraoxonase1, and carbonic anhydrase activities significantly abated, whereas catalase, glutathione reductase, glutathione‐S‐transferase activities insignificantly decreased in the VPA‐treated group. In contrast, lipid peroxidation, reactive oxygen species, and total oxidant status levels, glycoprotein and protein carbonyl contents, nitric oxide, hydroxyproline levels, and xanthine oxidase, lactate dehydrogenase, arginase, and prolidase activities significantly increased in the VPA‐given group. Administration of EDA caused the reverse effects. As a consequence, EDA prevented oxidative stress‐mediated lung injury via its robust antioxidant effects.