bluuebunny/crossref_metadata_2025 huggingface dataset:
Comunicación y lenguaje en Hegel
Authors: Cavaller Víctor
Published: September 2020

El 27 de agosto de 2020 se celebró el 250 aniversario del nacimiento del filósofo alemán G. W. F. Hegel. Es una ocasión propicia para revisar aquellos postulados de la filosofía hegeliana que apelan al papel mediador del lenguaje y de la comunicación en el progreso humano, y que están recobrando cierta actualidad desde posiciones pragmáticas y evolucionistas. Este artículo trata de elucidar las claves de su importancia en el debate filosófico y científico actual.
Educación social digital: una revisión sistemàtica
Authors: Fernández de Castro Pedro , Sampedro Víctor , Aranda Daniel , Moyano Segundo
Published: September 2020

El presente documento se puede considerar el primer paso de una línea de investigación que explora tres aspectos: cómo los usos de Internet pueden fomentar la ciudadanía activa y la participación política; el desarrollo de una pedagogía crítica en el entorno digital; y el establecimiento de pautas para la educación social digital. La población joven funciona tanto como sujeto de estudio para el análisis de los usos de Internet, como receptor de la pedagogía crítica y educación social digitales. La pregunta que articula el texto es cómo Internet y el entorno digital influyen en la participación en la esfera pública de las sociedades democráticas, así como motivan el compromiso político, social y cultural de la juventud. Para conocer el estado de la cuestión, realizamos una revisión sistemática de literatura científica de los últimos cinco años en cuestiones relacionadas con la ciudadanía, la alfabetización y la educación social, prestando atención a sus vertientes digitales.
Dung beetle species introductions: when an ecosystem service provider transforms into an invasive species
Authors: Pokhrel Min R. , Cairns Stuart C. , Andrew Nigel R.
Published: September 2020

Dung beetle introduction programmes were designed to accelerate exotic livestock dung degradation and to control dung breeding pestiferous flies and livestock parasites. The introduction programmes provided exotic dung beetle species with an opportunity to cross natural barriers and spread beyond their native range. There are no reports that explain what probable adaptation mechanisms enable particular dung beetle species to be the most successful invader. Here we identify the morphological, biological, physiological, ecological and behavioural attributes of the four most widespread and successful dung beetle species in introduced areas on a global scale in relation to the assumption that these species are different from other exotic and native dung beetles. We have recognisedDigitonthophagus gazella(Fabricius),Onthophagus taurus(Schreber),Euoniticellus intermedius(Reiche) andAphodius fimetarius(Linnaeus) as the most successful invaders based on their spread, predominance, distribution range and the reports of invasion. Each of these four species has different natural history traits that increase their fitness making them successful invaders.D. gazellahas high fecundity and spreading ability, can instantly locate and colonise fresh and nutritious dung, and has a broad thermal window.O. taurushas morphological plasticity, high fecundity, high brood survival rate due to bi-parenting, and is adapted to extreme thermal and moisture conditions.E. intermediushas remnant-dung feeding abilities, a wide thermal window, functioning best at upper-temperature levels, and successful breeding and survival abilities at extremely low soil moisture conditions.A. fimetariusis small-sized, has high breeding and dispersal abilities, and is adapted to lower thermal and upper moisture extremes and variable soil conditions. Discussed here are perspectives on adaptive attributes of dung beetle species that are important to consider during their selection for redistributions. We have elaborated on the fitness and success characteristics of the four species individually. Further, we recommend a prior-introduction baseline monitoring of native dung beetle assemblages so as to evaluate the future impact of exotic dung beetle introductions on the recipient ecosystem.
Genome-wide analysis of PRR gene family uncovers their roles in circadian rhythmic changes and response to drought stress in Gossypium hirsutum L.
Authors: Wang Jingjing , Du Zhaohai , Huo Xuehan , Zhou Juan , Chen Yu , Zhang Jingxia , Pan Ao , Wang Xiaoyang , Wang Furong , Zhang Jun
Published: September 2020

Background

The circadian clock not only participates in regulating various stages of plant growth, development and metabolism, but confers plant environmental adaptability to stress such as drought. Pseudo-Response Regulators (PRRs) are important component of the central oscillator (the core of circadian clock) and play a significant role in plant photoperiod pathway. However, no systematical study about this gene family has been performed in cotton.

Methods

PRR genes were identified in diploid and tetraploid cotton using bioinformatics methods to investigate their homology, duplication and evolution relationship. Differential gene expression, KEGG enrichment analysis and qRT-PCR were conducted to analyze PRR gene expression patterns under diurnal changes and their response to drought stress.

Results

A total of 44 PRR family members were identified in four Gossypium species, with 16 in G. hirsutum, 10 in G. raimondii, and nine in G. barbadense as well as in G. arboreum. Phylogenetic analysis indicated that PRR proteins were divided into five subfamilies and whole genome duplication or segmental duplication contributed to the expansion of Gossypium PRR gene family. Gene structure analysis revealed that members in the same clade are similar, and multiple cis-elements related to light and drought stress response were enriched in the promoters of GhPRR genes. qRT-PCR results showed that GhPRR genes transcripts presented four expression peaks (6 h, 9 h, 12 h, 15 h) during 24 h and form obvious rhythmic expression trend. Transcriptome data with PEG treatment, along with qRT-PCR verification suggested that members of clade III (GhPRR5a, b, d) and clade V (GhPRR3a and GhPRR3c) may be involved in drought response. This study provides an insight into understanding the function of PRR genes in circadian rhythm and in response to drought stress in cotton.
Analysis of Environmental Factors Determining the Adoption of Land Management Practices in Guinea Savanna Agro-Ecological Zone of Kaduna Using Principal Component Analysis (PCA)
Authors: Awobona T. A. , Adedapo J. O. , Emmanuel J. O. , Osunsina O. , Ogunsanwo J. A. , Bolaji O. W. , John R. Akanni
Published: September 2020

This study analyzed the various determinants of land management practices in Chikun LGA of Kaduna State and determined most sustainable practice(s), with the specific focus on: Socio-economic characteristics of farmers; types of land management practices in relation to the determinant factors; effects of land management practices on the farm productivity; determine the most sustainable land management practice in the study area. A purposive sampling technique was adopted in collecting data from three hundred and eighty (380) rural farmers with structured questionnaires administered in Buruku, Chikun Local Government area of Kaduna State, Nigeria. Five land management practices showed positive effects on the farm productivity as compared to the mean of 3 points; these were cover crop, crop rotation, irrigation, organic manure and fertilizer application. Two land management practices as perceived to have good effects on farm productivity of respondents were agro-forestry and bush fallow as shown in the component one of the result of Principal Component Analysis (PCA). It was concluded that the farming population was ageing and was adversely affected the choice of best practices due to lack of education and knowledge to adopt the best land management practice. Sustainable land management practices has the potential to reverse the trend of food scarcity and environmental disasters, help to improve local livelihoods, restore natural ecosystems and also contribute significantly to climate change adaptation and mitigation. There is clear evidence that the productivity of soils in Buruku Village will continue to decline if strategic measures are not put in place to manage soil fertility in different soil units to support agricultural land.
Nanoinsecticidal Efficacy of Ag/Ni Bimetallic Nanoparticles (BMNPs) on Lymphatic Filariasis Vector
Authors: Lamayi Danbature Wilson , Abba Ezra , Shehu Zaccheus , Adam Muhammad Mustapha
Published: September 2020

Aims: Nanoparticles are gradually gaining wide scientific interest due to their various applications in catalysis, magnetism, medicine, optics, as antibacterial and nanolarvicidal agents. This research aimed at evaluating the larvicidal activity of green synthesized Ag/Ni BMNPs from the aqueous root extract of Borassus aethiopum as the stabilizing agent as well as their spectroscopic investigation using UV-Visible and FT-IR spectroscopy.

Place and Duration of Study: The study was conducted in Gombe State University between August and December, 2019.

Methodology: In this study, Ag/Ni hybrid bimetallic nanoparticles was synthesized using an eco-friendly method from the secondary metabolites of Borassus aethiopum acting as the reducing agent.

Results: Optical measurements using UV-Vis showed the maximum absorption wavelength at 410nm while the FT-IR result for the root extract showed peaks at 3443.26cm-1, 2929.48 cm-1, 1651.28 cm-1, and 1080.12 cm-1 corresponding to OH stretch, sp3 C-H stretch, C=C stretch and C-O-C stretching respectively. These were replaced in the spectra of the BMNPs with the absence and appearance of some others indicating that they were involved in the capping process. The lethal concentration (LC50) was found to be 5.730, 13.585 and 15.735 mg/L for 1st, 2nd and 3rd/4th instars respectively. Also, the lethal concentration (LC90) was found to be 88.444, 195.689 and 236.889 mg/L for 1st, 2nd and 3rd/4th instars respectively.

Conclusion: The larvicidal bioassay result showed a dose-dependent mortality rates against Culex quinquefasciatus larvae which suggest they can be developed to control the insect population.
Bacteriological Profiles of Pyogenic Wound Infection among Adults with Antibiotic Susceptibility Pattern at a Tertiary Hospital in Nigeria
Authors: Onwuezobe I. A. , Matthew P. C. , Oyoyo A. O.
Published: September 2020

Aims: A wide variety of aerobic and anaerobic bacteria either singly or in combination has been implicated in pyogenic wound infection and this has been associated with treatment failures due to antibiotic resistance. This study aims at investigating the agents of pyogenic wound infection and their antibiotic susceptibility.

Study Design: A descriptive cross-sectional study conducted at the only tertiary Teaching Hospital in Uyo, Nigeria and carried out on 136 wound samples.

Place and Duration of Study: University of Uyo Teaching Hospital, Uyo, Nigeria, between April and October, 2018.

Methodology: Aspirated pus or wound swab samples were collected and inoculated on two separate agar plates containing 25% Sheep Blood and incubated aerobically and anaerobically at 37°C for 48 – 72 hours. Identification of isolates was performed following standard procedures. Data obtained were analyzed using SPSS software.

Results: Of the 136 collected wound samples from 76 (55.9%) males and 60 (44.1%) females patients from ages 20 to 70 years and above, 127 (93.4%) had growth of different bacterial isolates totaling 214 in number. Among these were aerobes 132 (61.6%) anaerobes 82 (38.4%). The Gram-negative aerobes had the highest prevalence 81 (37.9%), while the Gram-positive anaerobes 20 (9.4%) was the least prevalent. Staphylococcus aureus, 44 (86.3%) and Pseudomonas aeruginosa, 24 (29.6%), were the predominant Gram-positive and Gram-negative aerobes respectively. Peptococci spp. 8 (40%) and Bacteriodes fragilis 28 (54.9%) were the predominant Gram-positive and Gram-negative anaerobes respectively. Some rarely reported pathogens revealed include Acinetobacter iwoffi, Enterobacter cloacae and Stenotrophomonas maltophilia 1(1.2%) and they showed 100% resistance to all tested antibiotics. The majority of the Gram-positive aerobes 29 (56.9%) were Vancomycin resistant and there was also an increasing prevalence of Methicillin resistant Staphylococcus aureus (45%).

Conclusion: The bacterial agents causing pyogenic wound infection in Uyo comprised of 61.6% aerobes and 38.4% anaerobes. Some rarely reported bacteria such as Enterobacter cloacae and A. iwofii implicated in the infections were resistant to all commonly used antibiotics including Imipenem, a reserved antibiotic. Staphylococcus aureus was the commonest cause of pyogenic wound infection and up to 45% of them were Methicillin resistant.
Parenting practices, aggressive response evaluation and decision, and social difficulties in kindergarten children: The role of fathers
Authors: Ziv Yair , Arbel Reout
Published: September 2020

The association between fathers' parenting characteristics and their preschool children's social information processing (SIP) patterns is an understudied research topic. Hence, the current study aims to bridge this gap by examining whether there are differences between mothers' and fathers' parenting characteristics and their children's SIP patterns as well as their social functioning in school, with a specific focus on children's aggressive response evaluation and decision (RED) and social difficulties in kindergarten. Using a multimethod (self‐reports and direct assessments) multi‐informant (mother, father, child, and teacher) design, we collected data from 115 kindergarten children, their mothers, and their fathers, tapping the parents' perceptions of the relationships with the child and parenting style; the child's aggressively biased RED, and the child's social difficulties in kindergarten. We found that fathers' parenting capacities are associated with children's aggressively biased RED, whereas no such associations were found for mothers. In addition, aggressively biased RED mediated the association between fathers' authoritative parenting style and the child's maladaptive behavior in kindergarten. There were no differences between fathers and mothers in relation to social difficulties in kindergarten, with both parents' authoritative parenting style associated with less social difficulties. However, sex moderated this association in mothers as their authoritative style was associated with social difficulties in boys but not in girls. This difference was not found in fathers. On the other hand, fathers' authoritarian parenting style was associated with aggressive RED in boys but not in girls. The tentative nature of these findings and the need for replications are discussed.
The role of vulnerable environments in support for homegrown terrorism: Fieldwork using the 3N model
Authors: Lobato Roberto M. , Moyano Manuel , Bélanger Jocelyn J. , Trujillo Humberto M.
Published: September 2020

The 3N model of radicalization proposes that violent radicalization is the result of the contribution of needs, networks, and narratives. Although research has mainly been supportive of this perspective, a substantial amount of ground remains uncovered regarding the network component of the model. Within this framework, we examine why individuals living in certain social environments tend to harbor more positive attitudes toward homegrown terrorism than others. Building on prior research, we hypothesized that individuals living in social environments known to be vulnerable (vs. less vulnerable) are more likely to experience a sense of significance loss (i.e., lack of social integration, perceived conflicts between religious groups), find solace in religious social networks (i.e., mosques), and thus adhere to radical narratives (i.e., legitimization of terrorism). A study with 365 young Muslims from different cities in Spain (Almería, Barcelona, Ceuta, and Melilla)supported these predictions. Theoretical and practical implications for the study of violent extremism are discussed.
Baseline neuropsychological profiles in prion disease predict survival time
Authors: Sundaram Saranya E. , Staffaroni Adam M. , Walker Nicole C. , Casaletto Kaitlin B. , Casey Megan , Golubjatnikov Aili , Metcalf Stacy , O’Leary Kelly , Wong Katherine , Benisano Kendra , Forner Sven , Gonzalez Catalan Marta , Allen Isabel E. , Rosen Howard J. , Kramer Joel H. , Geschwind Michael D.
Published: September 2020

Objective

Few studies have captured the neuropsychological profile of sporadic Creutzfeldt–Jakob disease (sCJD) with neuropsychological testing, and little is known about cognitive predictors of survival. We characterized baseline neuropsychological performance in sCJD and investigated associations with survival.

Methods

sCJD participants who completed the MMSE (n = 118), 61 sCJD of whom also completed a neuropsychological battery at baseline, and 135 age‐matched healthy controls, were included. Composite scores of global cognition, memory, executive functions, visuospatial, and language were derived. Cox proportional hazard models estimated survival time, controlling for age and education. Additional models adjusted for Barthel Index and PRNP codon 129 polymorphism.

Results

sCJD participants performed significantly worse than controls on all cognitive tasks and composites with most showing very large effect sizes. The three tests showing the largest group differences were delayed verbal recall (Hedges’g = 4.08, P < 0.0001), Stroop Inhibition (Hedges’g = 3.14, P < 0.0001), and Modified Trails (Hedges’g = 2.94, P < 0.0001). Memory (95%) and executive functioning (87%) composites were most commonly impaired. Poorer global (HR = 0.65, P < 0.0001), visuospatial (HR = 0.82, P < 0.0001), and memory (HR = 0.82, P = 0.01) composites predicted shorter survival. Visuospatial cognition remained a significant predictor even after adjusting for all other cognitive composites; each standard deviation decrease in visuospatial cognition was associated with an 18% higher chance of death (HR = 0.82, P < 0.003). Global (HR = 0.68, P = 0.03) and visuospatial (HR = 0.82, P = 0.001) composites remained significant predictors after controlling for Barthel Index and codon 129.

Interpretation

sCJD participants exhibit a broad range of cognitive impairments, with memory and executive functioning deficits in the vast majority. Neuropsychological assessment, particularly of visuospatial abilities, informs prognostication in sCJD.
H∞ filtering of discrete‐time interconnected systems with failed interconnections
Authors: Chen Yuzhi , Wu Chun‐Yu , Xu Ning , Alotaibi Naif D. , Alkhateeb Abdulhameed F.
Published: September 2020

The H∞ filtering problem for interconnected systems is addressed in this paper. In order to facilitate the stability analysis of interconnected systems under the conditions of failed interconnections, a strategy related to switched systems is introduced. Assume that the interconnections among these subsystems disconnect based on the mode‐dependent average dwell time (MDADT), a switching signal is implemented to denote the failed interconnections cases. In the aid of the MDADT method, a filter is designed such that the fault detection (FD) system is asymptotically stable and satisfies the weighted H∞ performance. Finally, a numerical simulation is provided to show the effectiveness of the proposed filter.
To reduce stigma, describing ACEs is better than “words matter”: Study
Authors: Knopf Alison
Published: September 2020

“Words matter” is the refrain of anti‐stigma proponents in the United States, who state that person‐first language will improve attitudes toward drug users. But a recent study conducted in the U.K. has found that portraying people as having adverse childhood experiences (ACEs) does far more to reduce stigma than changing language, which does nothing.
Aggregation‐Resistant 3D Ti3C2Tx MXene with Enhanced Kinetics for Potassium Ion Hybrid Capacitors
Authors: Fang Yong‐Zheng , Hu Rong , Zhu Kai , Ye Ke , Yan Jun , Wang Guiling , Cao Dianxue
Published: September 2020

Potassium‐ion hybrid capacitors have attracted increasing attention due to good energy density, high power density, and low cost. Ti3C2Tx‐MXene is considered as a promising anode material for K ion storage. However, undesirable stacking issues decrease its exposed area and breeds sluggish K ion transport. Herein, a facile spray‐lyophilization strategy is proposed to construct stacking‐resistant Ti3C2Tx with 3D structures. As‐prepared Ti3C2Tx hollow spheres/tubes present stack resistance, a large specific surface area, and a short ion diffusion pathway. When serving as an anode material, it shows enhanced capacity and thickness‐independent rate performance compared to 2D Ti3C2Tx. After 10 000 cycles, a specific capacity of 122 mAh g−1 is obtained at 1 A g−1. Systematic kinetics analyses demonstrate the significance of concentration polarization on the electrode's rate ability. Furthermore, a 3D Ti3C2Tx‖hierarchical porous activated carbon (HPAC) K‐ion hybrid capacitor is assembled and displays remarkable energy and power densities with energy retention of 100% after 10 000 cycles at 1 A g−1 . Following this strategy, other 3D structures from nanosheets can also be obtained, such as 3D Ti3C2Tx microtubes and graphene oxide nanoscrolls. This study provides a viable approach to solve the stacking issues of 2D nanosheets to promote the application of 2D materials.
Diatomite‐Derived Hierarchical Porous Crystalline‐AmorphousNetwork for High‐Performance and Sustainable Si Anodes
Authors: Zhang Ying , Zhang Rui , Chen Shucheng , Gao Hongpeng , Li Mingqian , Song Xiaolan , Xin Huolin L. , Chen Zheng
Published: September 2020

Silicon has attracted considerable interest as a high‐capacity anode material for next‐generation lithium‐ion batteries. However, Si‐based anodes suffer extreme volume change (≈380%) upon lithiation and delithiation, which results in rapid capacity fading due to mechanical and electrochemical failure during cycling. Herein, a sustainable and scalable method to synthesize hierarchically porous micron‐sized Si particles from the low‐cost diatomite precursor is reported, which serves as both the precursor and the template. Through a one‐step magnesiothermic reduction, the SiO2 constituent in diatomite is reduced to form a Si/SiO2 composite network with 10–30 nm crystalline Si domains embedded within an amorphous SiO2 matrix. Controlling the reduction time leads to an optimal ratio between the crystalline Si and the amorphous SiO2 constituent, which endows the composite structure with high capacity and excellent cycling stability. For example, 90% capacity can be retained after 500 cycles at 0.2C for sample reduced by 6 h without any coating or prelithiation. The full cell with such Si/SiO2 as the anode and LiNi0.8Co0.1Mn0.1O2 as the cathode shows ≈80% capacity retention after 200 cycles. This work creates a unique path towards sustainable and scalable production of high‐performance micron‐sized Si anodes, offering new opportunities for potential industrial applications.
Recent Developments in the Polychloroalkylation by Use of Simple Alkyl Chlorides
Authors: Liang Yun‐Yan , Lv Gui‐Fen , Ouyang Xuan‐Hui , Song Ren‐Jie , Li Jin‐Heng
Published: September 2020

Owing to their easy availability and cheapness, simple alkyl chlorides are good raw materials for introducing complex polychlorinated groups. Polychlorinated hydrocarbons units, such as di‐ or trichloromethyl groups, not only widely found in pesticide and bioactive molecule, but also can be as a precursor to converted into different functional groups such as −COOH, −CHO and −CO. The direct polychloroalkylation reaction by using simple alkyl chlrides has been considered to be an important tool for synthesizing complex polychlorinated compounds. This review summarizes recent developments, especially free radical strategies, in the polychloroalkylation of different substrates (such as 2‐acylpyridines, benzyl tertiary amines, alkenes, imine and 1,n‐enynes). We hope that this review provides a new perspective on this field and also provides a reference to develop environmentally friendly and sustainable methods.

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Stereospecific Synthesis of Glycoside Mimics Through Migita‐Kosugi‐Stille Cross‐Coupling Reactions of Chemically and Configurationally Stable 1‐C‐Tributylstannyl Iminosugars
Authors: Li Sizhe , Jaszczyk Justyna , Pannecoucke Xavier , Poisson Thomas , Martin Olivier R. , Nicolas Cyril
Published: September 2020

A process for the de novo synthesis of imino‐C‐glycosides is described. The methodology is based on the reaction of 1‐C‐stannylated iminosugars with various electrophiles under the conditions of Migita‐Kosugi‐Stille cross‐couplings, which gives 1‐C‐substituted iminosugar derivatives in a stereoretentive process. The required iminoglycosyl stannanes are obtained by way of the highly stereoselective addition of tributylstannyllithium to (SR)‐ or (SS)‐N‐tert‐butanesulfinyl glycosylamines, followed by an activation cyclization sequence. Most interestingly, the methodology is tunable: the configuration of the tin adduct is controlled exclusively by the tert‐butanesulfinyl auxiliary, thus giving access after ring formation to ‘α’‐configured or ‘β’‐configured iminoglycosyl stannanes. With the subsequent stereoretentive C−C bond‐forming process, the methodology allows the synthesis of pseudo anomers of imino‐C‐glycosyl compounds in a controlled fashion.

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Optimization of Catalyst Structure for Asymmetric Propargylation of Aldehydes with Allenyltrichlorosilane
Authors: Vaganov Vladimir Yu. , Fukazawa Yasuaki , Kondratyev Nikolay S. , Shipilovskikh Sergei A. , Wheeler Steven E. , Rubtsov Aleksandr E. , Malkov Andrei V.
Published: September 2020

The design of catalysts for asymmetric propargylations remains a challenging task, with only a handful of methods providing access to enantioenriched homopropargylic alcohols. In this work, guided by previously reported computational predictions, a set of atropisomeric bipyridine N,N’‐dioxides was tested as Lewis base catalysts for the asymmetric propargylation of aldehydes with trichloroallenylsilane. The catalysts are easily prepared in four simple steps starting from readily available methyl ketones. Aryl‐substituted derivatives proved to be highly active and showed a high level of enantiocontrol even at 1 mol% loading. The reaction scope includes a wide range of aromatic, heteroaromatic, and unsaturated aldehydes. New computations confirm that the key stereodetermining transition state structures for the synthesized catalysts are similar to those previously reported for the model structure.

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Dienolate‐Mediated, Regioselective C2‐Polarity Reversal of Chromone‐Based Reactants and Their Application in Nucleophilic Strategies
Authors: Yao Zhen , Liu Xiong‐Wei , Li Zheng , Xu Sheng‐Wen , Xu Lijin , Liu Xiong‐Li
Published: September 2020

Inspired by the chemistry and biology of chromone, a method for the construction of spirooxindole‐based tetrahydrocyclopenta[b]chromanones is reported with good regio‐ and diastereoselectivity (all cases >20:1 dr) and moderate yields (up to 67%). This method leads to the construction of four contiguous stereogenic tertiary centers and one spiro quaternary center via a one‐step γ‐regioselective cascade [3+2] cycloaddition of an oxindole‐chromone synthon with 3‐methyl‐4‐nitro‐5‐alkenyl‐isoxazole.

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Lignin Doped Carbon Nanotube Yarns for Improved Thermoelectric Efficiency
Authors: Culebras Mario , Ren Guang , O'Connell Steward , Vilatela Juan J. , Collins Maurice N.
Published: September 2020

Due to ever increasing public awareness of the deteriorating planetary health condition associated with climate change and increasing carbon emissions, sustainable energy development has come sharply into focus. Here, a thermoelectric material is produced, which consists of macroscopic carbon nanotube yarns (CNTYs) produced continuously from the gas‐phase. The CNTYs are doped with lignin, obtained from lignocellulosic waste, and at 23 wt% lignin, electrical conductivity and the Seebeck coefficient are approximately doubled when compared to pristine CNTY samples. As a consequence, the power factor is remarkably improved to 132.2 µW m−1 K−2, more than six times that of the pristine CNTY. A thermoelectric generator device is manufactured, comprising 20 CNTY/lignin nanocomposite yarns, and they exhibit a maximum power output of 3.8 µW, at a temperature gradient of 30 K.
Nanoarchitectonics for Wide Bandgap Semiconductor Nanowires: Toward the Next Generation of Nanoelectromechanical Systems for Environmental Monitoring
Authors: Pham Tuan‐Anh , Qamar Afzaal , Dinh Toan , Masud Mostafa Kamal , Rais‐Zadeh Mina , Senesky Debbie G. , Yamauchi Yusuke , Nguyen Nam‐Trung , Phan Hoang‐Phuong
Published: September 2020

Semiconductor nanowires are widely considered as the building blocks that revolutionized many areas of nanosciences and nanotechnologies. The unique features in nanowires, including high electron transport, excellent mechanical robustness, large surface area, and capability to engineer their intrinsic properties, enable new classes of nanoelectromechanical systems (NEMS). Wide bandgap (WBG) semiconductors in the form of nanowires are a hot spot of research owing to the tremendous possibilities in NEMS, particularly for environmental monitoring and energy harvesting. This article presents a comprehensive overview of the recent progress on the growth, properties and applications of silicon carbide (SiC), group III‐nitrides, and diamond nanowires as the materials of choice for NEMS. It begins with a snapshot on material developments and fabrication technologies, covering both bottom‐up and top‐down approaches. A discussion on the mechanical, electrical, optical, and thermal properties is provided detailing the fundamental physics of WBG nanowires along with their potential for NEMS. A series of sensing and electronic devices particularly for environmental monitoring is reviewed, which further extend the capability in industrial applications. The article concludes with the merits and shortcomings of environmental monitoring applications based on these classes of nanowires, providing a roadmap for future development in this fast‐emerging research field.
Predicting the Outbreak Risks and Inflection Points of COVID‐19 Pandemic with Classic Ecological Theories
Authors: Ma Zhanshan (Sam)
Published: September 2020

Predicting the outbreak risks and/or the inflection (turning or tipping) points of COVID‐19 can be rather challenging. Here, it is addressed by modeling and simulation approaches guided by classic ecological theories and by treating the COVID‐19 pandemic as a metapopulation dynamics problem. Three classic ecological theories are harnessed, including TPL (Taylor’s power‐law) and Ma’s population aggregation critical density (PACD) for spatiotemporal aggregation/stability scaling, approximating virus metapopulation dynamics with Hubbell’s neutral theory, and Ma’s diversity‐time relationship adapted for the infection−time relationship. Fisher‐Information for detecting critical transitions and tipping points are also attempted. It is discovered that: (i) TPL aggregation/stability scaling parameter (b > 2), being significantly higher than the b‐values of most macrobial and microbial species including SARS, may interpret the chaotic pandemic of COVID‐19. (ii) The infection aggregation critical threshold (M0) adapted from PACD varies with time (outbreak‐stage), space (region) and public‐health interventions. Exceeding M0, local contagions may become aggregated and connected regionally, leading to epidemic/pandemic. (iii) The ratio of fundamental dispersal to contagion numbers can gauge the relative importance between local contagions vs. regional migrations in spreading infections. (iv) The inflection (turning) points, pair of maximal infection number and corresponding time, are successfully predicted in more than 80% of Chinese provinces and 68 countries worldwide, with a precision >80% generally.
Dual‐Strategy of Cation‐Doping and Nanoengineering Enables Fast and Stable Sodium‐Ion Storage in a Novel Fe/Mn‐Based Layered Oxide Cathode
Authors: Shen Qiuyu , Zhao Xudong , Liu Yongchang , Li Youpeng , Zhang Jian , Zhang Ning , Yang Chenghao , Chen Jun
Published: September 2020

Iron/manganese‐based layered transition metal oxides have risen to prominence as prospective cathodes for sodium‐ion batteries (SIBs) owing to their abundant resources and high theoretical specific capacities, yet they still suffer from rapid capacity fading. Herein, a dual‐strategy is developed to boost the Na‐storage performance of the Fe/Mn‐based layered oxide cathode by copper (Cu) doping and nanoengineering. The P2‐Na0.76Cu0.22Fe0.30Mn0.48O2 cathode material synthesized by electrospinning exhibits the pearl necklace‐like hierarchical nanostructures assembled by nanograins with sizes of 50–150 nm. The synergistic effects of Cu doping and nanotechnology enable high Na+ coefficients and low ionic migration energy barrier, as well as highly reversible structure evolution and Cu/Fe/Mn valence variation upon repeated sodium insertion/extraction; thus, the P2‐Na0.76Cu0.22Fe0.30Mn0.48O2 nano‐necklaces yield fabulous rate capability (125.4 mA h g−1 at 0.1 C with 56.5 mA h g−1 at 20 C) and excellent cyclic stability (≈79% capacity retention after 300 cycles). Additionally, a promising energy density of 177.4 Wh kg−1 is demonstrated in a prototype soft‐package Na‐ion full battery constructed by the tailored nano‐necklaces cathode and hard carbon anode. This work symbolizes a step forward in the development of Fe/Mn‐based layered oxides as high‐performance cathodes for SIBs.
Assessment of pneumoconiosis in surface coal miners after implementation of a national radiographic surveillance program, United States, 2014–2019
Authors: Hall Noemi B. , Halldin Cara N. , Blackley David J. , Laney A. Scott
Published: September 2020

Background

Pneumoconiosis can occur in surface coal miners. The Coal Workers' Health Surveillance Program (CWHSP) has only included surface coal miners as part of its regular disease surveillance since 2014. This analysis identifies the prevalence of pneumoconiosis among working surface coal miners participating in the CWHSP since their initial inclusion, through 2019.

Methods

Working surface coal miners who had chest radiographs through the CWHSP from January 1, 2014 through December 31, 2019 were included in this analysis. Demographic information, mining tenure and occupation, and radiographic classifications according to the International Labour Office system were included from each miner's most recent encounter with the CWHSP. Prevalence ratios were calculated comparing the prevalence of the disease by region and occupation by log‐binomial regression.

Results

Pneumoconiosis was present in 109 (1.6%) surface coal miners, including 12 miners with progressive massive fibrosis, the most severe form of the disease. After taking surface mining tenure into account, surface miners in Central Appalachia (prevalence ratio [PR], 3.2; 95% confidence interval [CI], 2.2–4.7) and surface miners who worked as a driller or blaster (PR, 2.1; 95% CI, 1.3–3.5) were at increased risk of pneumoconiosis.

Conclusion

The occurrence of pneumoconiosis in surface coal miners supports including them within a systematic respiratory health surveillance program. The current surveillance findings are consistent with past findings of pneumoconiosis, particularly silicosis, in surface mining occupations such as drilling and blasting.
Intrinsic Apyrase‐Like Activity of Cerium‐Based Metal–Organic Frameworks (MOFs): Dephosphorylation of Adenosine Tri‐ and Diphosphate
Authors: Yang Jian , Li Ke , Li Chunzhong , Gu Jinlou
Published: September 2020

Apyrase is an important family of extracellular enzymes that catalyse the hydrolysis of high‐energy phosphate bonds (HEPBs) in ATP and ADP, thereby modulating many physiological processes and driving life activities. Herein, we report an unexpected discovery that cerium‐based metal–organic frameworks (Ce‐MOFs) of UiO‐66(Ce) have intrinsic apyrase‐like activity for ATP/ADP‐related physiological processes. The abundant CeIII/CeIV couple sites of Ce‐MOFs endow them with the ability to selectively catalyse the hydrolysis of HEPBs of ATP and ADP under physiological conditions. Compared to natural enzymes, they could resist extreme pH and temperature, and present a broad range of working conditions. Based on this finding, a significant inhibitory effect on ADP‐induced platelet aggregation was observed upon exposing the platelet‐rich plasma (PRP) to the biomimetic UiO‐66(Ce) films, prefiguring their wide application potentials in medicine and biotechnology.
Dual Reactivity of 1,2,3,4‐Tetrazole: Manganese‐Catalyzed Click Reaction and Denitrogenative Annulation
Authors: Khatua Hillol , Das Sandip Kumar , Roy Satyajit , Chattopadhyay Buddhadeb
Published: September 2020

A general catalytic method using a Mn‐porphyrin‐based catalytic system is reported that enables two different reactions (click reaction and denitrogenative annulation) and affords two different classes of nitrogen heterocycles, 1,5‐disubstituted 1,2,3‐triazoles (with a pyridyl motif) and 1,2,4‐triazolo‐pyridines. Mechanistic investigations suggest that although the click reaction likely proceeds through an ionic mechanism, which is different from the traditional click reaction, the denitrogenative annulation reaction likely proceeds via an electrophilic metallonitrene intermediate rather than a metalloradical intermediate. Collectively, this method is highly efficient and offers several advantages over other methods. For example, this method excludes a multi‐step synthesis of the N‐heterocyclic molecules described and produces only environmentally benign N2gas a by‐product.
Selektive und skalierbare Synthese von Zuckeralkoholen durch homogene asymmetrische Hydrierung von ungeschützten Ketosen
Authors: Tindall Daniel J. , Mader Steffen , Kindler Alois , Rominger Frank , Hashmi A. Stephen K. , Schaub Thomas
Published: September 2020

Zuckeralkohole sind für die Lebensmittelindustrie von großer Bedeutung und stellen vielversprechende Bausteine für biobasierte Polymere dar. Industriell werden sie durch heterogene Hydrierung von Zuckern mit H2 hergestellt, in der Regel mit keiner bis geringer Stereoselektivität. Wir präsentieren ein homogenes System auf der Basis kommerziell verfügbarer Komponenten, das nicht nur die Gesamtausbeute erhöht, sondern auch die diastereoselektive Hydrierung einer breiten Palette ungeschützter Ketosen ermöglicht. Darüber hinaus ist das System im Multi‐Gramm‐Maßstab zuverlässig und erlaubt die Isolierung von Zuckeralkoholen in großen Mengen mit hoher Atomökonomie.
Forming All‐Carbon Quaternary Stereocenters by Organocatalytic Aminomethylation: Concise Access to β2,2‐Amino Acids
Authors: Wang Kai , Yu Jianliang , Shao Ying , Tang Shengbiao , Sun Jiangtao
Published: September 2020

The asymmetric synthesis of β2,2‐amino acids remains a formidable challenge in organic synthesis. Here a novel organocatalytic enantioselective aminomethylation of ketenes with stable and readily available N,O‐acetals is reported, providing β2,2‐amino esters bearing an all‐carbon quaternary stereogenic center in high enantiomeric ratios with a catalytic amount of chiral phosphoric acid. Typically, this transformation probably proceeds through an asymmetric counter‐anion‐directed catalysis. As a result, a concise, practical, and atom‐economic protocol toward rapidly access to β2,2‐amino acids has been developed.
Divergent Coupling of Benzocyclobutenones with Indoles via C−H and C−C Activations
Authors: Lu Hong , Zhao Tian‐Tian , Bai Jin‐Hua , Ye Dan , Xu Peng‐Fei , Wei Hao
Published: September 2020

Highly selective divergent coupling reactions of benzocyclobutenones and indoles, in which the chemoselectivity is controlled by catalysts, are reported herein. The substrates undergo C2(indole)–C8(benzocyclobutenone) coupling to produce benzylated indoles and benzo[b]carbazoles in the Ni‐ and Ru‐catalyzed reactions. A completely different selectivity pattern C2(indole)–C2(benzocyclobutenone) coupling to form arylated indoles is observed in the Rh‐catalyzed reaction. Preliminary mechanistic studies suggest C−H and C−C activations in the reaction pathway. Synthetic utility of this protocol is demonstrated by the selective synthesis of three different types of carbazoles from the representative products.
Synthesis and Multiplexed Activity Profiling of Synthetic Acylphloroglucinol Scaffolds
Authors: Boyce Jonathan H. , Reisman Benjamin J. , Bachmann Brian O. , Porco John A.
Published: September 2020

Reported here are novel formic‐acid‐mediated rearrangements of dearomatized acylphloroglucinols to access a structurally diverse group of synthetic acylphloroglucinol scaffolds (SASs). Density‐functional theory (DFT) optimized orbital and stereochemical analyses shed light on the mechanism of these rearrangements. Products were evaluated by multiplexed activity profiling (MAP), an unbiased platform which assays multiple biological readouts simultaneously at single‐cell resolution for markers of cell signaling, and can aid in distinguishing genuine activity from assay interference. MAP identified a number of SASs that suppressed pS6 (Ser235/236), a marker for activation of the mTOR and ERK signaling pathways. These results illustrate how biomimetic synthesis and multiplexed activity profiling can reveal the pharmacological potential of novel chemotypes by diversity‐oriented synthesis.
Structural Evidence for a [4Fe‐5S] Intermediate in the Non‐Redox Desulfuration of Thiouracil
Authors: Zhou Jingjing , Pecqueur Ludovic , Aučynaitė Agota , Fuchs Jonathan , Rutkienė Rasa , Vaitekūnas Justas , Meškys Rolandas , Boll Matthias , Fontecave Marc , Urbonavičius Jaunius , Golinelli‐Pimpaneau Béatrice
Published: September 2020

We recently discovered a [Fe‐S]‐containing protein with in vivo thiouracil desulfidase activity, dubbed TudS. The crystal structure of TudS refined at 1.5 Å resolution is reported; it harbors a [4Fe‐4S] cluster bound by three cysteines only. Incubation of TudS crystals with 4‐thiouracil trapped the cluster with a hydrosulfide ligand bound to the fourth non‐protein‐bonded iron, as established by the sulfur anomalous signal. This indicates that a [4Fe‐5S] state of the cluster is a catalytic intermediate in the desulfuration reaction. Structural data and site‐directed mutagenesis indicate that a water molecule is located next to the hydrosulfide ligand and to two catalytically important residues, Ser101 and Glu45. This information, together with modeling studies allow us to propose a mechanism for the unprecedented non‐redox enzymatic desulfuration of thiouracil, in which a [4Fe‐4S] cluster binds and activates the sulfur atom of the substrate.
Strong Valence Band Convergence to Enhance Thermoelectric Performance in PbSe with Two Chemically Independent Controls
Authors: Luo Zhong‐Zhen , Cai Songting , Hao Shiqiang , Bailey Trevor P. , Spanopoulos Ioannis , Luo Yubo , Xu Jianwei , Uher Ctirad , Wolverton Christopher , Dravid Vinayak P. , Yan Qingyu , Kanatzidis Mercouri G.
Published: September 2020

We present an effective approach to favorably modify the electronic structure of PbSe using Ag doping coupled with SrSe or BaSe alloying. The Ag 4d states make a contribution to in the top of the heavy hole valence band and raise its energy. The Sr and Ba atoms diminish the contribution of Pb 6s2 states and decrease the energy of the light hole valence band. This electronic structure modification increases the density‐of‐states effective mass, and strongly enhances the thermoelectric performance. Moreover, the Ag‐rich nanoscale precipitates, discordant Ag atoms, and Pb/Sr, Pb/Ba point defects in the PbSe matrix work together to reduce the lattice thermal conductivity, resulting a record high average ZTavg of around 0.86 over 400–923 K.
TIRF Microscopy‐Based Monitoring of Drug Permeation Across a Lipid Membrane Supported on Mesoporous Silica
Authors: Joyce Paul , Jõemetsa Silver , Isaksson Simon , Hossain Shakhawath , Larsson Per , Bergström Christel , Höök Fredrik
Published: September 2020

There is an urgent demand for analytic approaches that enable precise and representative quantification of the transport of biologically active compounds across cellular membranes. In this study, we established a new means to monitor membrane permeation kinetics, using total internal reflection fluorescence microscopy confined to a ≈500 nm thick mesoporous silica substrate, positioned underneath a planar supported cell membrane mimic. This way, we demonstrate spatiotemporally resolved membrane permeation kinetics of a small‐molecule model drug, felodipine, while simultaneously controlling the integrity of, and monitoring the drug binding to, the cell membrane mimic. By contrasting the permeation behaviour of pure felodipine with felodipine coupled to the permeability enhancer caprylate (C8), we provide evidence for C8‐facilitated transport across lipid membranes, thus validating the potential for this approach to successfully quantify carrier system‐induced changes to cellular membrane permeation.
Carbide Dihydrides: Carbonaceous Species Identified in Ta4+‐Mediated Methane Dehydrogenation
Authors: Lengyel Jozef , Levin Nikita , Wensink Frank J. , Lushchikova Olga V. , Barnett Robert N. , Landman Uzi , Heiz Ueli , Bakker Joost M. , Tschurl Martin
Published: September 2020

The products of methane dehydrogenation by gas‐phase Ta4+ clusters are structurally characterized using infrared multiple photon dissociation (IRMPD) spectroscopy in conjunction with quantum chemical calculations. The obtained spectra of [4Ta,C,2H]+ reveal a dominance of vibrational bands of a H2Ta4C+ carbide dihydride structure over those indicative for a HTa4CH+ carbyne hydride one, as is unambiguously verified by studies employing various methane isotopologues. Because methane dehydrogenation by metal cations M+ typically leads to the formation of either MCH2+ carbene or HMCH+ carbyne hydride structures, the observation of a H2MC+ carbide dihydride structure implies that it is imperative to consider this often‐neglected class of carbonaceous intermediates in the reaction of metals with hydrocarbons.
Mn−O Covalency Governs the Intrinsic Activity of Co‐Mn Spinel Oxides for Boosted Peroxymonosulfate Activation
Authors: Guo Zhi‐Yan , Li Chen‐Xuan , Gao Miao , Han Xiao , Zhang Ying‐Jie , Zhang Wen‐Jun , Li Wen‐Wei
Published: September 2020

Transition metal (TM)‐based bimetallic spinel oxides can efficiently activate peroxymonosulfate (PMS) presumably attributed to enhanced electron transfer between TMs, but the existing model cannot fully explain the efficient TM redox cycling. Here, we discover a critical role of TM−O covalency in governing the intrinsic catalytic activity of Co3−xMnxO4 spinel oxides. Experimental and theoretical analysis reveals that the Co sites significantly raises the Mn valence and enlarges Mn−O covalency in octahedral configuration, thereby lowering the charge transfer energy to favor MnOh–PMS interaction. With appropriate MnIV/MnIII ratio to balance PMS adsorption and MnIV reduction, the Co1.1Mn1.9O4 exhibits remarkable catalytic activities for PMS activation and pollutant degradation, outperforming all the reported TM spinel oxides. The improved understandings on the origins of spinel oxides activity for PMS activation may inspire the development of more active and robust metal oxide catalysts.