bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carbon materials for stable Li metal anodes: Challenges, solutions, and outlook
Authors: Lu Qiongqiong , Jie Yulin , Meng Xiangqi , Omar Ahmad , Mikhailova Daria , Cao Ruiguo , Jiao Shuhong , Lu Yan , Xu Yaolin 
Published: September 2021

AbstractLithium (Li) metal is regarded as the ultimate anode for next‐generation Li‐ion batteries due to its highest specific capacity and lowest electrochemical potential. However, the Li metal anode has limitations, including virtually infinite volume change, nonuniform Li deposition, and an unstable electrode–electrolyte interface, which lead to rapid capacity degradation and poor cycling stability, significantly hindering its practical application. To address these issues, intensive efforts have been devoted toward accommodating and guiding Li deposition as well as stabilizing the interface using various carbon materials, which have demonstrated excellent effectiveness, benefiting from their vast variety and excellent tunability of the structure–property relationship. This review is intended as a guide through the fundamental challenges of Li metal anodes to the corresponding solutions utilizing carbon materials. The specific functionalities and mechanisms of carbon materials for stabilizing Li metal anodes in these solutions are discussed in detail. Apart from the stabilization of the Li metal anode in liquid electrolytes, attention has also been paid to the review of anode‐free Li metal batteries and solid‐state batteries enabled by strategies based on carbon materials. Furthermore, we have reviewed the unresolved challenges and presented our outlook on the implementation of carbon materials for stabilizing Li metal anodes in practical applications.
Predictive Catalysis in Olefin Metathesis with Ru‐based Catalysts with Annulated C60 Fullerenes in the N‐heterocyclic Carbenes
Authors: Pablo Martínez Juan , Solà Miquel , Poater Albert 
Published: September 2021

AbstractPredictive catalysis must be the tool that does not replace experiments, but acts as a selective agent, so that synthetic strategies of maximum profitability are used in the laboratory in a surgical way. Here, nanotechnology has been used in olefin metathesis from homogeneous Ru‐NHC catalysts, specifically annulating a C60 fullerene to the NHC ligand. Based on results with the C60 in the backbone, a sterile change with respect to the catalysis of the metal center, an attempt has been made to bring C60 closer to the metal, by attaching it to one of the two C−N bonds of the imidazole group of the SIMes (1,3‐bis(2,4,6‐trimethylphenyl)imidazolin‐2‐ylidene) ligand (reference NHC ligand of the 2nd generation Grubbs catalysts) to increase the steric pressure of C60 in the first sphere of reactivity of the metal. The DFT calculated thermodynamics and the kinetics of SIMes‐derived systems show that they are efficient catalysts for olefin metathesis.
Diastereoselective Double C−H Functionalization of Chiral Ferrocenes with Heteroaromatics
Authors: Plevová Kristína , Kisszékelyi Péter , Vargová Denisa , Andrejčák Samuel , Tóth Viktor , Fertáľ Lukáš , Rakovský Erik , Filo Juraj , Šebesta Radovan 
Published: September 2021

AbstractDiastereoselective double C−H heteroarylation of chiral ferrocenes provides valuable compounds with multiple functionalities using mild reaction conditions and simple reagents. Pd‐Complexes with chiral mono‐protected amino acids afforded corresponding heteroarylated ferrocenyl amines in good yields and high diastereomeric purities. In this way, a variety of indole, thiophene, pyrrole, or furan substituents were introduced to the ferrocene moiety. Furthermore, a range of relevant functional groups, for example ketone, ester, chloro, nitro, or silyl, are tolerated by this method. An alternative combination of amino acid and ferrocenyl amine configurations was leveraged to provide the complementary diastereomeric products. The products of C−H heteroarylation can be transformed into corresponding phosphines. Absolute configurations of CH‐activation products were confirmed by the combination of X‐ray crystallographic analysis and CD spectroscopy. 19F NMR kinetic study and DFT calculations provided insights into the reaction mechanism and reasons governing stereoinduction.
Stepwise Increase of NdIII‐Based Phosphorescence by AIE‐Active Sensitizer: Broadening the AIPE Family from Transition Metals to Discrete Near‐Infrared Lanthanide Complexes**
Authors: Zhuo Hao , Guan Dao‐Bin , He Jia‐Cun , Xu Hai‐Bing , Zeng Ming‐Hua 
Published: September 2021

AbstractWe designed two near‐infrared (NIR) lanthanide complexes [(L)2‐Nd(NO3)3] (L=TPE2‐BPY for 1, TPE‐BPY for 2) by employing aggregation‐induced emission (AIE)‐active tetraphenylethylene (TPE) derivatives as sensitizers, which possessed matched energy to NdIII, prevented competitive deactivation under aggregation, even shifted the excitation window toward 600 nm by twisted intramolecular charge transfer. Furthermore, benefiting from the 4 f electron shielding effect and antenna effect, the enhanced excitation energies of the AIE‐active sensitizers by structural rigidification transferred into the inert NdIII excited state through 3LMCT, affording the first aggregation‐induced phosphorescence enhancement (AIPE)‐active discrete NIR‐emitting lanthanide complexes. As 1 equipped with more AIE‐active TPE than 2, L→Nd energy transfer efficiency in the former was higher than that in the latter under the same conditions. Consequently, the crystal of 1 exhibited one of the longest lifetimes (9.69 μs) among NdIII‐based complexes containing C−H bonds.
Channel‐reach morphology and landscape properties are linked across a large heterogeneous region
Authors: Lane Belize , Guillon Herve , Byrne Colin , Pasternack Gregory B. , Kasprak Alan , Sandoval‐Solis Samuel 
Published: September 2021

AbstractGiven the complex array of processes influencing river networks, conceptual frameworks of rivers are critical to our understanding of channel processes and response potential, as well as restoration efforts. Yet despite their wide usage, many classifications are based on limited observations over homogenous landscapes, raising questions about their general applicability and quantitative thresholds. Leveraging a large, transect‐based morphological field dataset across California, USA, we use data‐driven methods to evaluate multivariate patterns in channel morphology and linkages with landscape properties considering a diversity of physio‐climatic settings. Emergent patterns highlight the variability in channel form observed across an extensive dataset over heterogeneous but spatially linked watersheds. In general, identified dominant channel attributes and landscape properties align with established channel types defined through expert judgement, but key differences also emerge. Similar to past studies, bed sediment composition and sub‐reach depth variability were discriminating channel attributes. The dominance of landscape properties associated with sediment supply or transport capacity suggests that morphological diversity largely reflects these differences as posited by prior classifications. Results also show some channel forms to be largely independent of valley confinement, with several channel bedforms and dominant grain sizes occurring across valley settings. This data analysis study demonstrates the utility of considering channel reaches and landscapes as multi‐dimensional features to elucidate and test established geomorphic understanding over large field datasets.
Predicting vaccine hesitancy from area‐level indicators: A machine learning approach
Authors: Carrieri Vincenzo , Lagravinese Raffele , Resce Giuliano 
Published: September 2021

AbstractVaccine hesitancy (VH) might represent a serious threat to the next COVID‐19 mass immunization campaign. We use machine learning algorithms to predict communities at a high risk of VH relying on area‐level indicators easily available to policymakers. We illustrate our approach on data from child immunization campaigns for seven nonmandatory vaccines carried out in 6062 Italian municipalities in 2016. A battery of machine learning models is compared in terms of area under the receiver operating characteristics curve. We find that the Random Forest algorithm best predicts areas with a high risk of VH improving the unpredictable baseline level by 24% in terms of accuracy. Among the area‐level indicators, the proportion of waste recycling and the employment rate are found to be the most powerful predictors of high VH. This can support policymakers to target area‐level provaccine awareness campaigns.
Urban to rural COVID‐19 progression in India: The role of massive migration and the challenge to India's traditional labour force policies
Authors: Sahoo Prafulla Kumar , Biswal Suchismita , Kumar Hemant , Powell Mike 
Published: September 2021

AbstractThe coronavirus disease‑2019 (COVID‐19) has emerged as a deadliest disease in the 21st century. Initially in India, this disease was concentrated in major urban cities like Mumbai, Delhi, Gujarat, and Chennai, which were the national hotspots for the COVID‐19 pandemic. However, in subsequent months, returning migrants (mainly day labour) brought the disease back to their home; this vector triggered significant spread to semi‐urban and rural areas. This highlighted serious concerns in rural India, where access to sophisticated healthcare and mitigation strategies were lacking. There is little data on this new pattern of disease spread. This article provides a short review for tracking the spread of COVID‐19 into major rural states in India based on understanding urban‐rural workforce migration relative to the growing proportion of the nation's COVID‐19 caseload between May‐September 2020.
Three‐dimensional flow past a porous vertical plate in a porous medium with sinusoidal suction and permeability in the presence of thermal diffusion
Authors: Ahmed Nazibuddin , Bordoloi Rajdeep 
Published: September 2021

AbstractAn analytical solution, based on the asymptotic series expansion method, for the problem of a fully developed chemically reactive laminar three‐dimensional flow through a porous vertical infinite plate in a porous medium with sinusoidal permeability as suction in the existence of appreciable radiation is presented. The effects of the physical parameters entering into the problem on the flow and transport characteristics are studied and demonstrated through graphs. The flow is three‐dimensional due to sinusoidal suction as well as porosity. It is found that concentration of the fluid rises due to thermal diffusion (Soret) effect. Furthermore, it is seen that fluid velocity is increased for increasing thermal diffusion effect. Also, viscous drag at the plate is increased under the Soret effect.
Influence of water quality on the macroinvertebrate community in a tropical estuary (Buenaventura Bay)
Authors: Duque Guillermo , Gamboa-García Diego E. , Molina Andrés , Cogua Pilar 
Published: September 2021

Abstract
The anthropogenic discharges of inorganic nutrients impact water quality, affecting the macroinvertebrate assemblage and food safety. The main objective of this study was to examine the seawater quality and macroinvertebrate dynamics in muddy habitats of Buenaventura Bay, Colombian Pacific. Macroinvertebrates were captured using artisanal trawl nets during different seasons and along four sampling sites. Multivariate analyses (canonical correspondence analysis and generalized additive model) were used to assess the effects of variations in nitrite, nitrates, phosphate concentrations, and physicochemical variables (salinity, pH, dissolved oxygen [DO], temperature, and total dissolved solids [TDS]) of water on the macroinvertebrate assemblage. Richness was the highest at sites with high salinity and temperature and low concentrations of nitrites and TDS. The densities of the commercial shrimp species Xiphopenaeus riveti and Rimapenaeus byrdi were the highest at sites with higher DO and alkalinity, and lower nitrate concentrations. The swimming crab Callinectes arcuatus was dominant at sites with low water quality. In summary, in the transitional season and at the inner sites of Buenaventura Bay, it was observed the lowest water quality due to high nitrate concentration. High nitrate concentration was highlighted as the main anthropogenic factor that could decrease the capture of target macroinvertebrate species for food and livelihoods of artisanal fishermen and their families. Thus, macroinvertebrate communities may be vulnerable to increased inorganic nutrient inputs, which could affect estuarine water quality and ecosystems services. Integr Environ Assess Manag 2022;18:796–812. © 2021 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).
KEY POINTS
Monitoring of the environmental variables of estuaries in Buenaventura Bay, Colombia, revealed a decrease in water quality due to inorganic nutrients levels. Nitrate concentration was highlighted as an important anthropogenic disturbance factor in the set of environmental variables that influence invertebrate artisanal fisheries catches. The decrease of water quality due to high nitrates could cause a diminution in fishing productivity. One of main goals of management could be regulate nitrates levels in the anthropogenic discharges.
Extended near Skolem sequences Part II
Authors: Baker Catharine A. , Linek Vaclav , Shalaby Nabil 
Published: September 2021

AbstractA ‐extended ‐near Skolem sequence of order , denoted by , is a sequence where and for each integer there are two indices such that and . For a to exist it is necessary that when and when , where . Any triple satisfying these conditions is called admissible. In this article, which is Part II of three articles, we construct sequences for all admissible with .
HSD10 disease in a female: A case report and review of literature
Authors: Upadia Jariya , Walano Nicolette , Noh Grace S. , Liu Jiao , Li Yuwen , Deputy Stephen , Elliott Lindsay T. , Wong Joaquin , Lee Jennifer A. , Caylor Raymond C. , Andersson Hans C. 
Published: September 2021

AbstractHSD10 disease is a rare X‐linked mitochondrial disorder caused by pathogenic variants in the HSD17B10 gene. The phenotype results from impaired 17β‐hydroxysteroid dehydrogenase 10 (17β‐HSD10) protein structure and function. HSD10 is a multifunctional protein involved in enzymatic degradation of isoleucine and branched‐chain fatty acids, the metabolism of sex hormones and neurosteroids, as well as in regulating mitochondrial RNA maturation. HSD10 disease is characterised by progressive neurologic impairment. Disease onset is varied and includes neonatal‐onset, infantile‐onset and late‐onset in males. Females can also be affected. Our index case is a 45‐month‐old female, who initially presented at 11 months of age with global developmental delay. She subsequently began to lose previously acquired cognitive and motor skills starting around 29 months of age. Brain MRI showed abnormalities in the basal ganglia indicative of possible mitochondrial disease. Urine organic acid analysis revealed elevations of 2‐methyl‐3‐hydroxybutyric acid and tiglyglycine. HSD17B10 gene sequencing revealed a likely pathogenic variant, NM_001037811.2:c.439C>T (p.Arg147Cys) inherited from her mother, expected to be causative of HSD10 disease. Her X‐chromosome inactivation study is consistent with a skewed X‐inactivation pattern. We report a female patient with HSD10 disease caused by a missense pathogenic variant, Arg147Cys in the HSD17B10 gene. The patient is the fifth severely affected female with this disease. This case adds to the small number of known affected families with this highly variable disease in the literature. These findings support the possibility of X‐inactivation patterns influencing the penetrance of HSD10 disease in females.
Does work passion influence prosocial behaviors at work and home? Examining the underlying work–family mechanisms
Authors: Wan Min (Maggie) , Carlson Dawn S. , Quade Matthew J. , Kacmar K. Michele 
Published: September 2021

SummaryIntegrating job demands‐resources theory (Bakker & Demerouti, 2014, 2017) and crossover theory (Westman, 2001), this study examines the differential effects of two types of work passion, harmonious and obsessive, on both employees' and spouses' prosocial behavior: organizational citizenship and family citizenship behavior. We propose that these relationships are mediated by two contrasting paths through employees' work–family enrichment and conflict, as well as their own and their spouses' work–family balance. By sampling 400 pairs of dual‐earner couples in the United States at two time points, we tested the model using structural equation modeling. Our findings supported that harmonious work passion, working through job demands‐resources theory's motivational path, increased employees' organizational and family citizenship behavior via work–family enrichment and work–family balance; obsessive work passion, working through job demands‐resources theory's impairment path, decreased employees' organizational and family citizenship behavior through work–family conflict and work–family balance. Moreover, the results supported crossover effects such that employees' harmonious and obsessive work passion had similar effects on spouses' organizational and family citizenship behaviors through employees' work–family interface as well as crossover effects of work–family balance between employees and spouses.
Impact of tree plantations on the dynamics of soil aggregates in urban degraded lands in the dry tropics
Authors: Singh Sunil , Singh Mahesh Kumar , Kumar Chandra Mohan , Soni Priyanka , Ghoshal Nandita 
Published: September 2021

AbstractThe impact of land‐use change in an urban ecosystem on soil aggregate dynamics and soil carbon storage was studied through two annual cycles under five land uses. All the land uses namely: (1) natural mixed vegetation (NV) growing in a protected area; (2) grass fallow (GF); and tree plantations of (3) Cassia siamea (CP); (4) Jatropha curcas (JP); and (5) Tectona grandis (TP) were grown on urban degraded waste lands in a dry tropical region of India. Proportions of soil aggregate fractions, their stability, and soil carbon storage were analyzed at upper (00–15 cm), and lower (15–30 cm) soil depths during the rainy, winter, and summer seasons. Across all the land uses and at both the soil depths, the proportion of macroaggregate was highest during summer and lowest during the rainy season, whereas the reverse trend was observed for mesoaggregate. The annual mean proportion of macroaggregate decreased while meso‐ and microaggregates increased, with increasing soil depth across all the land uses. At the upper layer, the trends of macroaggregate, aggregate stability, and soil C storage were NV > CP > JP > TP > GF whereas at lower depth, the trend was NV > TP > CP > JP > GF. Across all the land uses in both the depths, soil C storage was strongly and positively correlated with annual mean fraction of soil macroaggregate. All tree plantations improved soil properties considerably as compared to GF at upper soil layer, yet TP reached near NV in these soil properties at lower depth. Soil aggregate fractions may be used as an index of carbon storage capacity in the urban ecosystems.
Corrosion characteristics of T91 steel in lead–bismuth eutectic with different oxygen concentrations at 500°C
Authors: Tian Shujian , Pang Yongqiang , Jiang Zhizhong , Luo Lin , Xiao Zunqi 
Published: September 2021

AbstractCorrosion tests of T91 were carried out in the stagnant lead–bismuth eutectic (LBE) containing 10−6, 10−7, and 10−8 wt% oxygen at 500°C for up to 2000 h, respectively. The dependence of corrosion characteristics on oxygen concentrations in LBE was obtained. The results show that the oxide‐scale structure changes from a three‐layer magnetite/spinel/internal oxidation zone (IOZ) scale under the oxygen concentration of 10−6 wt%, to the formation of a two‐layer spinel/IOZ scale under the oxygen concentrations of 10−7 and 10−8 wt%. In addition, with the decrease of the oxygen concentration, the Cr/Fe ratio in the Fe–Cr spinel slightly increases in a linear rule while the thicknesses of the oxide layers gradually decrease.
A comparison of methods for corrosion inhibitor assessment: Mild steel protected by disubstituted aromatics
Authors: Roscher Jessica , Liu Dan , Holze Rudolf 
Published: September 2021

AbstractBoth thermodynamic and kinetic corrosion process parameters are determined with electrochemical methods. Results are used for a deeper understanding of the established interfacial structures and ongoing processes and of the effects of experimental parameters. Frequently data are used for the evaluation of corrosion inhibitor efficiencies. In case data from just one electrochemical method are used, the validity of the method and data should be verified and critical points must be identified. In this study, we have compared results from three standard electrochemical methods obtained with a common steel sample in an acidic environment and in the presence of three representative aromatic inhibitors. We have noticed significant differences between the results; therefore we suggest rationalization and practical consequences.
Effects of stannum (Sn) addition on corrosion behavior and biocompatibility in vitro of biodegradable Zn–Sn alloys
Authors: Guo Pushan , Bagheri Robabeh , Yang Lijing , Song Zhenlun , Liu Yaxuan 
Published: September 2021

AbstractZinc (Zn) and its alloys, as novel biodegradable metals, hold great potential in bone implant and metallic stents. Stannum (Sn), an essential trace element, plays an important role in maintaining life activities. Herein, Sn is selected as an alloying element to be added into the Zn matrix to explore the possibility of Zn–Sn alloy as a biodegradable metal for clinical application. This article systemically studies the effects of Sn content on microstructural, electrochemical behavior, corrosion rate, and in vitro biocompatibility of Zn–Sn alloys. Results indicate that the Sn‐rich phase is the main form of Sn in the as‐extruded alloys, and the solid solubility is in an extremely minute quantity. The corrosion of Zn–Sn alloys in conventional simulated body fluid (c‐SBF) solution shows apparent electrochemical characteristics, and Sn‐rich phases are corroded preferably. The corrosion rates of Zn–1.0Sn and Zn–2.0Sn are under 0.2 mm year−1, which can satisfy the requirement of biodegradable medical materials. In addition, Zn–1.0Sn exhibits much better cytocompatibility and hemocompatibility than Zn–2.0Sn. Therefore, Zn–Sn alloy shows great potential applications in the biological field and can be further studied and developed.