bluuebunny/crossref_metadata_2025 huggingface dataset:
Emerging Single‐Atom Catalysts/Nanozymes for Catalytic Biomedical Applications
Authors: Wang Zihao , Wu Fu‐Gen
Published: November 2021

Single‐atom catalysts (SACs) are a type of atomically dispersed nanozymes with the highest atom utilization, which employ low‐coordinated single atoms as the catalytically active sites. SACs not only inherit the merits of traditional nanozymes, but also hold high catalytic activity and superb catalytic selectivity, which ensure their tremendous application potential in environmental remediation, energy storage and conversion, chemical industry, nanomedicine, etc. Nevertheless, undesired aggregation effect of single atoms during preactivation and reaction processes is significantly enhanced owing to the high surface free energy of single atoms. In this case, appropriate substrates are requisite to prevent the aggregation event through the powerful interactions between the single atoms and the substrates, thereby stabilizing the high catalytic activity of the catalysts. In this review, the synthetic methods and characterization approaches of SACs are first described. Then the application cases of SACs in nanomedicine are summarized. Finally, the current challenges and future opportunities of the SACs in nanomedicine are outlined. It is hoped that this review may have implications for furthering the development of new SACs with improved biophysicochemical properties and broadened biomedical applications.
Vacancy‐Ordered Double Perovskite Rb2ZrCl6−xBrx: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission
Authors: Zheng Kun , Chen Bingkun , Xie Lingling , Li Xitao , Lu Bingheng , Wang Min , Wu Yafeng , Jiang Ting , Zhang Fa , Li Xu , Wang Yongtian
Published: November 2021

Lead‐free vacancy‐ordered double perovskites with formula of A2M(IV)X6 have become promising alternatives to lead halide perovskites. Herein, novel direct bandgap lead‐free vacancy‐ordered double perovskites Rb2ZrCl6−xBrx (0 ≤ x ≤ 2) with highest photoluminescence quantum yield (PLQY) of 90% are synthesized by using a facile wet grinding approach. Experimental and theoretical analyses demonstrate that the bright emissions originate from the self‐trapped excitons (STEs). Additionally, thermally activated delayed fluorescence (TADF) is observed in these perovskites, confirmed by temperature‐dependent steady‐state PL spectra and time‐resolved PL spectra measurements. The competitive equilibrium relationship is demonstrated further between the singlet STEs and the triplet STEs of Rb2ZrCl6−xBrx interrelated to temperature. Meanwhile, satisfying the Vegard's law, the optical bandgap of Rb2ZrCl6−xBrx decreases linearly from 3.895 to 3.778 eV with x increasing. Furthermore, density functional theory (DFT) calculations prove the highly localized electronic states generated in flat electronic bands of Rb2ZrCl6−xBrx, as evidence by the presence of self‐trapped state in [ZrCl6−xBrx]2− octahedra, and the energy level of the halogen 3p orbitals is the key factor that dictates their bandgaps.
Agribusiness and policy failures
Authors: Richards Timothy J.
Published: November 2021

There is often a clear need for business regulation, as the market fails in many ways that are well understood. However, there are also important examples of policy failure, or cases where policy intervention seemed like a good idea at one time, but likely caused more problems than it solved. I consider three examples of failed regulatory interventions, in labor, antitrust, and disaster response. In reviewing the literature on each topic, some of which is our own, I hope to draw general conclusions regarding the value of careful economic analysis in policy design, particularly in the regulation of agribusiness enterprises.
Use of 300,000 pseudo‐experimental data over 1800 pure fluids to assess the performance of four cubic equations of state: SRK, PR, tc‐RK, and tc‐PR
Authors: Piña‐Martinez Andrés , Privat Romain , Jaubert Jean‐Noël
Published: November 2021

The guidelines to constitute a database containing, for 1800 pure fluids, more than 300,000 pseudo‐experimental vapor pressure, liquid density, enthalpy of vaporization, and liquid heat capacity data are described. Such a database provides a tool for a fair assessment of the performances of equations of state to correlate (or predict) the properties of pure components. In this paper, we use it to assess the performance of four cubic equations of state (CEoSs): original Soave–Redlich–Kwong (SRK), original Peng–Robinson (PR), and the translated‐consistent versions of PR (tc‐PR) and RK (tc‐RK). The deviations between calculated and experimental data are compared for the four CEoSs, which make it possible to discuss the influence of the α‐function on the calculated vapor–liquid equilibrium properties and how the volume translation impacts the calculated volumetric properties. Eventually, the 1800 pure components are divided into 1252 non‐self‐associating and 548 self‐associating compounds, and the accuracy of the CEoSs depending on the associating character of the molecules is discussed.
Complex meristematic activity induced by Eucecidoses minutanus on Schinus engleri turns shoots into galls
Authors: Ferreira Bruno G. , Moreira Gilson R. P. , Carneiro Renê G. S. , Isaias Rosy M. S.
Published: November 2021

Premise

Gall‐inducing organisms change the development of their host plant organs, resulting in ontogenetic patterns not observed in the non‐galled plants. Distinct taxa induce galls on Schinus spp., manipulating meristematic patterns in the host plant in distinct ways. Here we report ontogenetic novelties induced in the lateral buds of S. engleri by Eucecidoses minutanus, a Cecidosidae, whose galls have been poorly understood.

Methods

The anatomy, histochemistry, and histometry of galls in distinct phases of development, non‐galled buds, and stems of Schinus engleri were analyzed in parallel with the instars of E. minutanus to detail the morphogenetic changes in the host with each larval stage.

Results

Ontogenetic phases of the galls were intricately associated with larval development. First and second‐instar larvae induced pericycle and pith cells to dedifferentiate into the gall inner meristem, where hyperplasia and cell hypertrophy characterized the growth and development phase of the gall. The innermost layers were lipid‐rich nutritive cells that lined the larval chamber. Additional vascular bundle rows were produced in young galls. Third and fourth instar‐larvae were associated with the gall maturation phase: centripetal lignification of the outer parenchyma cell layers, epidermal stratification, and activation of a cambium‐like meristem (CLM). The CLM activity resulted in new layers of nutritive cells that differentiated inward as the first layers of nutritive cells were consumed by E. minutanus larvae, and, also, in more parenchyma cell layers that formed outward. All tissues between the innermost layer of nutritive tissue that surround the gall chamber and the outermost layer of the dermal system that externally covers the gall form the gall wall, and increased in thickness until the end of gall maturation.

Conclusions

E. minutanus induces a structurally complex globoid stem gall, modifying all host plant tissues and stimulating a novel meristematic pattern in S. engleri. The gall developmental stages are each related to specific gall‐inducing instars, as gall development progresses according to the development of E. minutanus.
Adolescents and young adults with neurofibromatosis type 1: A descriptive study of adaptive functioning
Authors: Struemph Kari L. , Watts Adreanna T. M. , Wolters Pamela L. , Tamula Mary Anne , Baldwin Andrea , Widemann Brigitte , Martin Staci
Published: November 2021

Neurofibromatosis type 1 (NF1) is a genetic syndrome affecting about 1 in 3500 individuals; many of those affected have plexiform neurofibroma (pNF) tumors and associated symptoms and complications. Furthermore, learning and attention problems, as well as deficits in adaptive functioning, are common, often beginning in early childhood. This study aimed to describe adaptive functioning and to examine relationships between adaptive functioning and cognitive and academic variables and level of independence among adolescents and young adults (AYA) with NF1 and pNF tumors. Fifty‐five AYA aged 16–31 years participated in a series of neuropsychological evaluations while parents completed the Vineland Adaptive Behavior Scales (VABS‐II) as part of a larger natural history study. Over one‐third (35%) of AYA were neither in school nor employed. Mean VABS‐II daily living and socialization scores were low average while mean Verbal and Performance IQ scores were average. VABS‐II scores were positively correlated with processing speed, executive functioning, and working memory scores. Verbal IQ was the only significant predictor of work/school status. Identification of the correlates and predictors of adaptive functioning and life achievement can help guide healthcare providers with the early identification of risk factors and possible areas for intervention.
Development of Chiral Ligands for the Transition‐Metal‐Catalyzed Enantioselective Silylation and Borylation of C−H Bonds
Authors: Su Bo , Hartwig John F.
Published: November 2021

Enantioselective reactions that install functional groups at the positions of unactivated C−H bonds can be envisioned to produce intermediates for the synthesis of the active ingredients in pharmaceuticals and agrochemicals directly from simple feedstocks. Among these C−H bond functionalization reactions, those that form carbon–silicon (C−Si) and carbon–boron (C−B) bonds have been pursued because the products of these reactions can be converted to those containing a wide range of functional groups and because compounds containing silicon and boron possess unique properties that can be valuable for medicinal and materials chemistry. Although the silylation and borylation of C−H bonds have undergone extensive development during the past two decades, enantioselective versions of these reactions were not known until a few years ago. In this Minireview, we present the rapid development of enantioselective silylation and borylation of C−H bonds, with an emphasis on the design and development of the types of chiral ligands needed to achieve these reactions and an intention to inspire an expansion of these types of transformations.
X⋅⋅⋅X Halogen Bond‐Induced Supramolecular Helices
Authors: Xu Yunying , Hao Aiyou , Xing Pengyao
Published: November 2021

The halogen bond is the attractive interaction between the electrophilic region of a halogen atom and the nucleophilic region of another molecular entity, emerging as a favorable manner to manipulate supramolecular chirality in self‐assemblies. Engineering halogen bonded helical structures remains a challenge due to its sensitivity to solvent polarity and competitive forces like hydrogen bonds. Herein, we report a X⋅⋅⋅X (X=Cl, Br, I) type weak halogen bond that induces the formation and evolution of supramolecular helical structures both in solid and solution state. The π‐conjugated phenylalanine derivatives with F, Cl, Br and I substitution self‐assembled into 21 helical packing driven by hydrogen bond and halogen bond, respectively. The specific molecular geometries of π‐conjugated amino acids gave rise to multiple noncovalent forces to stabilize the X⋅⋅⋅X halogen bond with small bond energies ranging from −0.69 to −1.49 kcal mol−1. Halogen bond induced an opposite helicity compared to the fluorinated species, accompanied by the inversed circularly polarized luminescence.
Preparation of 3‐pentadecylphenol‐modified cellulose nanocrystal and its application as a filler to polypropylene nanocomposites having improved antibacterial and mechanical properties
Authors: Shin Huiseob , Kim Sangwan , Kim Jinseok , Kong Saerom , Lee Yonghoon , Lee Jong‐Chan
Published: November 2021

Polypropylene (PP) nanocomposites were prepared using cellulose nanocrystal (CNC) grafted with 3‐pentadecylphenol (PDP) as a filler. Functionalized CNC (f‐CNC) was prepared by the reaction of CNC with 4‐oxo‐4‐(3‐pentadecylphenoxy)butanoic acid (PDPBA), where PDPBA was synthesized by reacting succinic anhydride (SA) with PDP. PP nanocomposites containing CNC (PP/CNC) and f‐CNC (PP/f‐CNC), respectively, were prepared to study the effect of fillers on PP. PP/CNC and PP/f‐CNC showed improved mechanical stiffness, and especially, PP/f‐CNC was found to have larger mechanical strength value than neat PP and PP/CNC due to the PDP moiety having a long alkyl group in f‐CNC. Antibacterial property was observed both from PP/CNC and from PP/f‐CNC while that of PP/f‐CNC was better than that of CNC because PDP could impart the additional antibacterial activity. The improved mechanical properties and antibacterial property of PP/f‐CNC could be ascribed to the respective effect of PDP and CNC.
Evaluating the effects of a SharkSafe Barrier™ shoreline deployment on bull shark (Carcharhinus leucas) behaviour
Authors: O'Connell Craig Patrick , Gressle Juliet , Crews Julia , King Andre A. , He Pingguo
Published: November 2021

Beach nets and drumlines are lethal devices that are used to minimize the interaction between potentially dangerous sharks and beachgoers. Mortality to these large shark species as a result of these lethal measures has led to the development of non‐invasive technologies that may minimize the risks of rare encounters with beachgoers while simultaneously protecting vulnerable sharks and other marine species.

One such technology is the SharkSafe Barrier™, which uses visual and magnetic stimuli to non‐invasively deter sharks from a designated area. Previous experiments using this technology were performed on a small scale (e.g. 13 m × 13 m), with an attempt made to extrapolate the results to a larger scale application without actual large‐scale deployments and experimentation.

The present study examined whether a large‐scale SharkSafe Barrier™ shoreline deployment could successfully exclude the bull shark (Carcharhinus leucas) from acoustic and olfactory cues and evaluated whether the technology could serve as a less invasive replacement to current culling practices.

Generalized linear mixed‐model analyses based on 59 trials illustrate that C. leucas swimming behaviour (i.e. avoidances, entrances, and pass arounds) significantly differed between the control (i.e. unmanipulated area) and the experimental (i.e. SharkSafe Barrier™) regions. Unlike previous small‐scale experiments, 10 of 16 sharks repeatedly penetrated the barrier and swam in an accelerated manner once within the experimental barrier region.

The present findings raise concerns that the size of the previous experimental areas may have been insufficient to provide a realistic representation of barrier efficacy for large‐scale deployments. With continued shark‐culling measures in various locations, a non‐invasive and eco‐friendly alternative is needed, but substantial modifications to the current Sharksafe barrier design or an entirely new eco‐friendly approach are needed as the barrier in its present state does not reliably deter large and potentially dangerous sharks from a large‐scale area.
Recreational Physical Activity and Risk of Incident Knee Osteoarthritis: An International Meta‐Analysis of Individual Participant–Level Data
Authors: Gates Lucy S. , Perry Thomas A. , Golightly Yvonne M. , Nelson Amanda E. , Callahan Leigh F. , Felson David , Nevitt Michael , Jones Graeme , Cooper Cyrus , Batt Mark E. , Sanchez‐Santos Maria T. , Arden Nigel K.
Published: November 2021

Objective

The effect of physical activity on the risk of developing knee osteoarthritis (OA) is unclear. We undertook this study to examine the relationship between recreational physical activity and incident knee OA outcomes using comparable physical activity and OA definitions.

Methods

Data were acquired from 6 global, community‐based cohorts of participants with and those without knee OA. Eligible participants had no evidence of knee OA or rheumatoid arthritis at baseline. Participants were followed up for 5–12 years for incident outcomes including the following: 1) radiographic knee OA (Kellgren‐Lawrence [K/L] grade ≥2), 2) painful radiographic knee OA (radiographic OA with knee pain), and 3) OA‐related knee pain. Self‐reported recreational physical activity included sports and walking/cycling activities and was quantified at baseline as metabolic equivalents of task (METs) in days per week. Risk ratios (RRs) were calculated and pooled using individual participant data meta‐analysis. Secondary analysis assessed the association between physical activity, defined as time (hours per week) spent in recreational physical activity and incident knee OA outcomes.

Results

Based on a total of 5,065 participants, pooled RR estimates for the association of MET days per week with painful radiographic OA (RR 1.02 [95% confidence interval (95% CI) 0.93–1.12]), radiographic OA (RR 1.00 [95% CI 0.94–1.07]), and OA‐related knee pain (RR 1.00 [95% CI 0.96–1.04]) were not significant. Similarly, the analysis of hours per week spent in physical activity also showed no significant associations with all outcomes.

Conclusion

Our findings suggest that whole‐body, physiologic energy expenditure during recreational activities and time spent in physical activity were not associated with incident knee OA outcomes.
Quinoline‐cored Poly(Aryl Ether) Dendritic Organogels with Multiple Stimuli‐Responsive and Adsorptive Properties
Authors: Hao Xiaoyu , Liu Zhixiong , Qin Jun , Jin Xinyi , Liu Li‐Zhen , Zhai Hong , Yang Weifa , Yan Zhi‐Chao , Feng Yu
Published: November 2021

Functional supramolecular gel materials have potential applications in sensors, optical switches, artificial antennae, drug delivery and so on. In this paper, quinoline‐cored poly(aryl ether) dendritic organogelators were designed, synthesized and fully characterized. The gelation behaviour of the dendritic organogelator was tested in organic solvents, mixed solvents and ionic liquids. The dendron Q‐G1 was found to be an efficient and versatile organogelator toward various apolar and polar organic solvents with the critical gelation concentrations (CGCs) approaching 1.2×10−2 mol/L, indicating one dendritic organogelator could immobilize 1.2×103 solvent molecules in the organogel network. Interestingly, these dendrons exhibited excellent gel formation in ionic liquids. Notably, these dendritic organogels were found to display multiple stimuli‐responsive properties toward external stimuli including heat, ultrasound and shear stress, with a reversible sol‐gel phase transition. In addition, the dendritic organogel could effectively adsorb heavy metals and organic dyes. The removal rate of Pb2+ was up to 20% and the adsorption rate for Rhodamine B was as high as 89%.
Bidirectional asymmetric delay feedback for cooperative adaptive cruise control of vehicle platoons with unreliable communication
Authors: Song Xiulan , Wei Dingjie , Chen Yu , Zhu Wei
Published: November 2021

This paper considers the cooperative adaptive cruise control (CACC) problem of vehicle platoons under unreliable vehicle‐to‐everything (V2X) communication network. A bidirectional asymmetric delay feedback CACC method is presented to cope with the time delay and packet dropout induced by the unreliable network. The concept of equivalent delays is used to compensate the packet dropout of the network with the bidirectional communication topology. Using the asymmetric PD structure and the longitudinal models with varying time delay, the CACC controller of the platoon in a centralized mode is computed by solving linear matrix inequalities. To guarantee string stability of the platoon with the controller under the unreliable network, some sufficient conditions on the parameters of the controller and the time delay and packet dropout are derived. Furthermore, the upper bound of the time delay is estimated to satisfy string stability of the platoon. Finally, the presented method is verified by some comparative experiments of a seven‐car platoon with representative traffic scenarios and communication topologies.
Nano‐confining Red Phosphorus in a Carbon Hierarchical Superstructure for Superior Potassium Storage
Authors: Liang Zibin , Qiu Tianjie , Cheng Jinqian , Tang Yanqun , Wu Yingxiao , Shi Jinming , Gao Song , Zou Ruqiang
Published: November 2021

High‐capacity red phosphorus is a promising candidate for anode material of potassium‐ion batteries while the poor electrical conductivity and large volume variation may cause severe material pulverization and performance deterioration during cycling. Incorporation of red phosphorous with porous carbon substrates is a potential strategy to solve these issues, which can spatially confine the phosphorus particles and promote mass/charge transfer processes. Herein, a hierarchical nitrogen‐doped microporous carbon superstructure derived from nanorod‐assembled metal‐organic framework superstructure was presented to confine red phosphorus (P@NCS) for potassium storage. Remarkably, P@NCS as an anode material demonstrated a high reversible specific capacity of 551 mAh g−1 at 0.1 A g−1 after 100 cycles along with a high initial Coulombic efficiency of 76 %. Control experiments and theoretical calculations verified that the excellent potassium storage performance was attributed to the strong confinement effect of the nitrogen‐doped micropores and the unique nanorod‐assembled superstructure. Furthermore, a potassium‐ion full cell was assembled using P@NCS and 3,4,9,10‐perylenetetracarboxylic dianhydride as anode and cathode material respectively, demonstrating the great potential of P@NCS for practical potassium‐ion batteries.
Recent Technology Developments in Biogas Production from Waste Materials in Malaysia
Authors: Mohd Johari Siti Aminah , Mahad Nasir Mian Muhammad , Ali Sundas , Hamza Ameer , Aleem Waqas , Ameen Mariam , Aqsha Aqsha
Published: November 2021

Solid waste management towards the sustainable process is one of the major undertakings of the Malaysia Solid Waste Management Department. Hence, development towards biofuels including biogas production from wastes has been escalating in Malaysia. There have been some major innovations in biogas production, including design and operation of the reactor, the presence of an additive, change in mixing regime, supporting unit, measurement, and monitoring systems, since the technology has developed. The sections mainly included are types of digesters, strategies such as upstream, mainstream, and downstream. In upstream strategies, the hydrothermal pretreatment of anaerobic digestion showed a higher improvement of biogas by an increase of 222 % of methane content. The mainstream strategies showed that co‐digestion was the best method to increase the methane yield to 305–445 mL g−1 VS. In downstream system, methane content can be upgraded from 60 to 90 % by applying water scrubber. This paper aims to discuss the recent trends and innovations in biogas production from waste and their pathways in details.
Isomerization of Glucose‐to‐Fructose in Water over a Continuous Flow Reactor using Ca−Al Mixed Oxide as Heterogeneous Catalyst
Authors: Ventura Maria , Mazarío Jaime , Domine Marcelo E.
Published: November 2021

This work reports the continuous isomerization of glucose to fructose in aqueous media under mild conditions using a mixed oxide hydrotalcite‐derived catalyst based on Ca and Al. Different operational parameters of the continuous flow fix‐bed catalytic reactor system were studied. At the optimal conditions, the Ca−Al‐based catalyst achieved a very high conversion and almost quantitative selectivity towards fructose, this being one of the few successful examples of a heterogeneous catalyst capable of carrying out this reaction in a continuous process. Importantly, catalytic activity held steady during four hours on stream, and slight deactivation occurring could be practically overcome by thermal regeneration of the catalyst.
Morphological analysis of the cerebellum and its efferent system in a basal actinopterygian fish, Polypterus senegalus
Authors: Ikenaga Takanori , Shimomai Rinko , Hagio Hanako , Kimura Satoru , Matsumoto Kazumasa , Kato Dai‐ichiro , Uesugi Kentaro , Takeuchi Akihisa , Yamamoto Naoyuki , Hibi Masahiko
Published: November 2021

Although all vertebrate cerebella contain granule cells, Purkinje cells, and efferent neurons, the cellular arrangement and neural circuitry are highly diverse. In amniotes, cerebellar efferent neurons form clusters, deep cerebellar nuclei, lie deep in the cerebellum, and receive synaptic inputs from Purkinje cells but not granule cells. However, in the cerebellum of teleosts, the efferent neurons, called eurydendroid cells, lie near the cell bodies of Purkinje cells and receive inputs both from axons of Purkinje cells and granule cell parallel fibers. It is largely unknown how the cerebellar structure evolved in ray‐finned fish (actinopterygians). To address this issue, we analyzed the cerebellum of a bichir Polypterus senegalus, one of the most basal actinopterygians. We found that the cell bodies of Purkinje cells are not aligned in a layer; incoming climbing fibers terminate mainly on the basal portion of Purkinje cells, revealing that the Polypterus cerebellum has unique features among vertebrate cerebella. Retrograde labeling and marker analyses of the efferent neurons revealed that their cell bodies lie in restricted granular areas but not as deep cerebellar nuclei in the cerebellar white matter. The efferent neurons have long dendrites like eurydendroid cells, although they do not reach the molecular layer. Our findings suggest that the efferent system of the bichir cerebellum has intermediate features between teleosts and amniote vertebrates, and provides a model to understand the basis generating diversity in actinopterygian cerebella.
occAssess: An R package for assessing potential biases in species occurrence data
Authors: Boyd Robin J. , Powney Gary D. , Carvell Claire , Pescott Oliver L.
Published: November 2021

Species occurrence records from a variety of sources are increasingly aggregated into heterogeneous databases and made available to ecologists for immediate analytical use. However, these data are typically biased, i.e. they are not a probability sample of the target population of interest, meaning that the information they provide may not be an accurate reflection of reality. It is therefore crucial that species occurrence data are properly scrutinised before they are used for research. In this article, we introduce occAssess, an R package that enables straightforward screening of species occurrence data for potential biases. The package contains a number of discrete functions, each of which returns a measure of the potential for bias in one or more of the taxonomic, temporal, spatial, and environmental dimensions. Users can opt to provide a set of time periods into which the data will be split; in this case separate outputs will be provided for each period, making the package particularly useful for assessing the suitability of a dataset for estimating temporal trends in species' distributions. The outputs are provided visually (as ggplot2 objects) and do not include a formal recommendation as to whether data are of sufficient quality for any given inferential use. Instead, they should be used as ancillary information and viewed in the context of the question that is being asked, and the methods that are being used to answer it. We demonstrate the utility of occAssess by applying it to data on two key pollinator taxa in South America: leaf‐nosed bats (Phyllostomidae) and hoverflies (Syrphidae). In this worked example, we briefly assess the degree to which various aspects of data coverage appear to have changed over time. We then discuss additional applications of the package, highlight its limitations, and point to future development opportunities.
Accelerated Discovery of Single‐Atom Catalysts for Nitrogen Fixation via Machine Learning
Authors: Zhang Sheng , Lu Shuaihua , Zhang Peng , Tian Jianxiong , Shi Li , Ling Chongyi , Zhou Qionghua , Wang Jinlan
Published: November 2021

Developing high‐performance catalysts using traditional trial‐and‐error methods is generally time consuming and inefficient. Here, by combining machine learning techniques and first‐principle calculations, we are able to discover novel graphene‐supported single‐atom catalysts for nitrogen reduction reaction in a rapid way. Successfully, 45 promising catalysts with highly efficient catalytic performance are screened out from 1626 candidates. Furthermore, based on the optimal feature sets, new catalytic descriptors are constructed via symbolic regression, which can be directly used to predict single‐atom catalysts with good accuracy and good generalizability. This study not only provides dozens of promising catalysts and new descriptors for nitrogen reduction reaction but also offers a potential way for rapid screening of new electrocatalysts.
Switching CO2 Electroreduction Selectivity Between C1 and C2 Hydrocarbons on Cu Gas‐Diffusion Electrodes
Authors: Zhang Jianfang , Li Zhengyuan , Cai Rui , Zhang Tianyu , Yang Shize , Ma Lu , Wang Yan , Wu Yucheng , Wu Jingjie
Published: November 2021

Regulating the selectivity toward a target hydrocarbon product is still the focus of CO2 electroreduction. Here, we discover that the original surface Cu species in Cu gas‐diffusion electrodes plays a more important role than the surface roughness, local pH, and facet in governing the selectivity toward C1 or C2 hydrocarbons. The selectivity toward C2H4 progressively increases, while CH4 decreases steadily upon lowering the Cu oxidation species fraction. At a relatively low electrodeposition voltage of 1.5 V, the Cu gas‐diffusion electrode with the highest Cuδ+/Cu0 ratio favors the pathways of hydrogenation to form CH4 with maximum Faradaic efficiency of 65.4% and partial current density of 228 mA cm−2 at −0.83 V vs RHE. At 2.0 V, the Cu gas‐diffusion electrode with the lowest Cuδ+/Cu0 ratio prefers C–C coupling to form C2+ products with Faradaic efficiency topping 80.1% at −0.75 V vs RHE, where the Faradaic efficiency of C2H4 accounts for 46.4% and the partial current density of C2H4 achieves 279 mA cm−2. This work demonstrates that the selectivity from CH4 to C2H4 is switchable by tuning surface Cu species composition of Cu gas‐diffusion electrodes.
2D/3D ZIF‐9/Mo15S19 S‐Scheme Heterojunction for Productive Photocatalytic Hydrogen Evolution
Authors: Li Junke , Li Mei , Jin Zhiliang
Published: November 2021

Flower‐like Mo15S19 nanoparticles are successfully attached on the surface of the lamellar cobalt‐based zeolite imidazole framework (ZIF‐9) according to the physical mixing process herein described. The existence of lamellar ZIF‐9 not only avoids the stacking of spherical flower‐like Mo15S19 nanoparticles but also enhances the adsorbability of the ZIF‐9/Mo15S19 system for Eosin‐Y (EY) molecules, which injects more vitality into the hydrogen production reaction. In addition, the lamellar ZIF‐9 can be freely stacked and form a regular rich wrinkle structure. Benefitting from this special structure, Mo15S19 nanoparticles with spherical flower‐like shape can be adsorbed more firmly between the layers of ZIF‐9. This 2D/3D interlaced structure makes the system more stable, which also can improve the adsorption capacity of EY molecules. In addition, the construction of an S‐scheme heterojunction between ZIF‐9 and Mo15S19 is another nonnegligible driving force for the enhanced photocatalytic performance in this system. The rational establishment of the S‐scheme heterojunction provides a more convenient transmission channel for the photogenerated charge. This work uses ZIF‐9 as the carrier of Mo15S19 and promotes the catalytic performance of the composite ZIF‐9/Mo15S19 by adjusting the evacuation of the spherical Mo15S19 nanoparticles and constructing a heterojunction that can promote the flow ability of charges.
Recent Progress on Photothermal Heterogeneous Catalysts for CO2 Conversion Reactions
Authors: Liu Huimin , Gao Xiaoxu , Shi Dongchen , He Dehua , Meng Qingrun , Qi Ping , Zhang Qijian
Published: November 2021

Converting the greenhouse gas carbon dioxide into important chemical fuels is promising to alleviate the global warming problem. Photocatalytic CO2 reduction is beneficial for energy storage and environmental protection; however, it suffers from low efficiency. Recently, photothermal catalysis, which merits the advantages of both photocatalysis and traditional thermally driven catalysis, has been extensively studied and proven promising. Herein, the scope of catalyst type within heterogeneous catalysts is discussed, the latest progress of photothermal heterogeneous catalysts designed for CO2 conversion reactions is described, including the reduction of CO2 by H2O, CO2 hydrogenation to CO, CH4, CH3OH, or C2+, CO2 reforming of CH4 (CRM), CO2 cycloaddition reaction, etc. the preparation principles of photothermal catalysts are summarized, the challenges on the design and development of highly efficient photothermal catalysts are pointed out, and the future research directions are prospected.
Construction of an automatic score for the evaluation of speech disorders among patients treated for a cancer of the oral cavity or the oropharynx: The Carcinologic Speech Severity Index
Authors: Woisard Virginie , Balaguer Mathieu , Fredouille Corinne , Farinas Jérôme , Ghio Alain , Lalain Muriel , Puech Michèle , Astesano Corine , Pinquier Julien , Lepage Benoît
Published: November 2021

Background

Speech disorders impact quality of life for patients treated with oral cavity and oropharynx cancers. However, there is a lack of uniform and applicable methods for measuring the impact on speech production after treatment in this tumor location.

Objective

The objective of this work is to (1) model an automatic severity index of speech applicable in clinical practice, that is equivalent or superior to a severity score obtained by human listeners, via several acoustics parameters extracted (a) directly from speech signal and (b) resulting from speech processing and (2) derive an automatic speech intelligibility classification (i.e., mild, moderate, severe) to predict speech disability and handicap by combining the listener comprehension score with self‐reported quality of life related to speech.

Methods

Eighty‐seven patients treated for cancer of the oral cavity or the oropharynx and 35 controls performed different tasks of speech production and completed questionnaires on speech‐related quality of life. The audio recordings were then evaluated by human perception and automatic speech processing. Then, a score was developed through a classic logistic regression model allowing description of the severity of patients' speech disorders.

Results

Among the group of parameters subject to extraction from automatic processing of the speech signal, six were retained, producing a correlation at 0.87 with the perceptual reference score, 0.77 with the comprehension score, and 0.5 with speech‐related quality of life.

The parameters that contributed the most are based on automatic speech recognition systems. These are mainly the automatic average normalized likelihood score on a text reading task and the score of cumulative rankings on pseudowords. The reduced automatic YC2SI is modeled in this way: YC2SIp = 11.48726 + (1.52926 × Xaveraged normalized likelihood reading) + (−1.94e‐06 × Xscore of cumulative ranks pseudowords).

Conclusion

Automatic processing of speech makes it possible to arrive at valid, reliable, and reproducible parameters able to serve as references in the framework of follow‐up of patients treated for cancer of the oral cavity or the oropharynx.
Moving persistence assessments into the 21st century: A role for weight-of-evidence and overall persistence
Authors: Redman Aaron D. , Bietz Jens , Davis John W. , Lyon Delina , Maloney Erin , Ott Amelie , Otte Jens C. , Palais Frédéric , Parsons John R. , Wang Neil
Published: November 2021

Assessing the persistence of chemicals in the environment is a key element in existing regulatory frameworks to protect human health and ecosystems. Persistence in the environment depends on many fate processes, including abiotic and biotic transformations and physical partitioning, which depend on substances' physicochemical properties and environmental conditions. A main challenge in persistence assessment is that existing frameworks rely on simplistic and reductionist evaluation schemes that may lead substances to be falsely assessed as persistent or the other way around—to be falsely assessed as nonpersistent. Those evaluation schemes typically assess persistence against degradation half-lives determined in single-compartment simulation tests or against degradation levels measured in stringent screening tests. Most of the available test methods, however, do not apply to all types of substances, especially substances that are poorly soluble, complex in composition, highly sorptive, or volatile. In addition, the currently applied half-life criteria are derived mainly from a few legacy persistent organic pollutants, which do not represent the large diversity of substances entering the environment. Persistence assessment would undoubtedly benefit from the development of more flexible and holistic evaluation schemes including new concepts and methods. A weight-of-evidence (WoE) approach incorporating multiple influencing factors is needed to account for chemical fate and transformation in the whole environment so as to assess overall persistence. The present paper's aim is to begin to develop an integrated assessment framework that combines multimedia approaches to organize and interpret data using a clear WoE approach to allow for a more consistent, transparent, and thorough assessment of persistence. Integr Environ Assess Manag 2022;18:868–887. © 2021 ExxonMobil Biomedical Sciences, Inc. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

KEY POINTS

Weight of Evidence (WoE) is needed to utilize different standard and non-standard data types. A WoE framework is presented to organize the comparisons and make use of all available data. Overall persistence (Pov) supports holistic assessments that account for emission patterns and physicochemical properties of a substance. Combined WoE and Pov frameworks will support improved persistence assessments.
Immunoinformatics based designing a multi‐epitope vaccine against pathogenic Chandipura vesiculovirus
Authors: Deb Debashrito , Basak Srijita , Kar Tamalika , Narsaria Utkarsh , Castiglione Filippo , Paul Abhirup , Pandey Ashutosh , Srivastava Anurag P.
Published: November 2021

Chandipura vesiculovirus (CHPV) is a rapidly emerging pathogen responsible for causing acute encephalitis. Due to its widespread occurrence in Asian and African countries, this has become a global threat, and there is an urgent need to design an effective and nonallergenic vaccine against this pathogen. The present study aimed to develop a multi‐epitope vaccine using an immunoinformatics approach. The conventional method of vaccine design involves large proteins or whole organism which leads to unnecessary antigenic load with increased chances of allergenic reactions. In addition, the process is also very time‐consuming and labor‐intensive. These limitations can be overcome by peptide‐based vaccines comprising short immunogenic peptide fragments that can elicit highly targeted immune responses, avoiding the chances of allergenic reactions, in a relatively shorter time span. The multi‐epitope vaccine constructed using CTL, HTL, and IFN‐γ epitopes was able to elicit specific immune responses when exposed to the pathogen, in silico. Not only that, molecular docking and molecular dynamics simulation studies confirmed a stable interaction of the vaccine with the immune receptors. Several physicochemical analyses of the designed vaccine candidate confirmed it to be highly immunogenic and nonallergic. The computer‐aided analysis performed in this study suggests that the designed multi‐epitope vaccine can elicit specific immune responses and can be a potential candidate against CHPV.
Nonpoint source arsenic contamination of soil and groundwater from legacy pesticides
Authors: Higgins Mark A. , Metcalf Meredith J. , Robbins Gary A.
Published: November 2021

Arsenic (As) contamination in wells is common throughout the northeastern United States. It is well documented that lead‐arsenate (PbHAsO4) pesticides were widely used on fruit tree orchards from the 1890s to 1950s. This study evaluates the potential for As contamination of groundwater from former orchards in Connecticut, where there were over 47,000 orchards in 1935. A proximity analysis involving 189 orchards and 114 domestic wells was conducted to assess the spatial relationship between historic orchards and As in wells. Field studies were then conducted to characterize As and lead (Pb) distributions in soils and wells near historic orchards. The proximity analysis found that the wells with no detected As were further away from historic orchards and had fewer historic orchards within their vicinity when compared with wells that contained As. The field investigations found that elevated levels of As and Pb were widespread in soils from orchards established by 1951, with some As concentrations exceeding 200 ppm. In some soils, As and Pb were leachable at concentrations exceeding USEPA drinking water standards in synthetic precipitation laboratory tests. It was also found that the wells nearest to the impacted soils tended to contain the highest As concentrations, while the wells located in areas that were forested prior to 1970 contained no As. Overall, this study found that As and Pb from legacy pesticide residues are still abundant in former orchard soils and that a strong spatial relationship exists between As‐contaminated wells and historic orchards. Greater consideration should be given to historic orchard soils as a potential contributing nonpoint source of As to the groundwater in Connecticut, where domestic well contamination rates are high.
Platelet extracellular vesicles in COVID-19: Potential markers and makers
Authors: Puhm Florian , Flamand Louis , Boilard Eric
Published: November 2021

Platelets and platelet extracellular vesicles (pEV) are at the crossroads of coagulation and immunity. Extracellular vesicles are messengers that not only transmit signals between cells, but also provide information about the status of their cell of origin. Thus, pEVs have potential as both biomarkers of platelet activation and contributors to pathology. Coronavirus Disease-19 (COVID-19), caused by infection with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a complex disease affecting multiple organs and is characterized by a high degree of inflammation and risk of thrombosis in some patients. In this review, we introduce pEVs as valuable biomarkers in disease with a special focus on their potential as predictors of and contributors to COVID-19.
Corticosteroid treatment in COVID-19 modulates host inflammatory responses and transcriptional signatures of immune dysregulation
Authors: Pinski Amanda N , Steffen Tara L , Zulu Michael Z , George Sarah L , Dickson Alexandria , Tifrea Delia , Maroney Kevin J , Tedeschi Neil , Zhang Yun , Scheuermann Richard H , Pinto Amelia K , Brien James D , Messaoudi Ilhem
Published: November 2021

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of coronavirus disease-2019 (COVID-19), a respiratory disease that varies in severity from mild to severe/fatal. Several risk factors for severe disease have been identified, notably age, male sex, and pre-existing conditions such as diabetes, obesity, and hypertension. Several advancements in clinical care have been achieved over the past year, including the use of corticosteroids (e.g., corticosteroids) and other immune-modulatory treatments that have now become standard of care for patients with acute severe COVID-19. While the understanding of the mechanisms that underlie increased disease severity with age has improved over the past few months, it remains incomplete. Furthermore, the molecular impact of corticosteroid treatment on host response to acute SARS-CoV-2 infection has not been investigated. In this study, a cross-sectional and longitudinal analysis of Ab, soluble immune mediators, and transcriptional responses in young (65 ≤ years) and aged (≥ 65 years) diabetic males with obesity hospitalized with acute severe COVID-19 was conducted. Additionally, the transcriptional profiles in samples obtained before and after corticosteroids became standard of care were compared. The analysis indicates that severe COVID-19 is characterized by robust Ab responses, heightened systemic inflammation, increased expression of genes related to inflammatory and pro-apoptotic processes, and reduced expression of those important for adaptive immunity regardless of age. In contrast, COVID-19 patients receiving steroids did not show high levels of systemic immune mediators and lacked transcriptional indicators of heightened inflammatory and apoptotic responses. Overall, these data suggest that inflammation and cell death are key drivers of severe COVID-19 pathogenesis in the absence of corticosteroid therapy.
Virus transmission by ultrasonic scaler and its prevention by antiviral agent: An in vitro study
Authors: Fidler Aleš , Steyer Andrej , Manevski Damjan , Gašperšič Rok
Published: November 2021

Background

It is well recognized that dental procedures represent a potential way of infection transmission. With the COVID‐19 pandemic, the focus of dental procedure associated transmission has rapidly changed from bacteria to viruses. The aim was to develop an experimental setup for testing the spread of viruses by ultrasonic scaler (USS) generated dental spray and evaluate its mitigation by antiviral coolants.

Methods

In a virus transmission tunnel, the dental spray was generated by USS with saline coolant and suspension of Equine Arteritis Virus (EAV) delivered to the USS tip. Virus transmission by settled droplets was evaluated with adherent RK13 cell lines culture monolayer. The suspended droplets were collected by a cyclone aero‐sampler. Antiviral activity of 0.25% NaOCl and electrolyzed oxidizing water (EOW) was tested using a suspension test. Antiviral agents' transmission prevention ability was evaluated by using them as a coolant.

Results

In the suspension test with 0.25% NaOCl or EOW, the TCID50/mL was below the detection limit after 5 seconds. With saline coolant, the EAV‐induced cytopathic effect on RK13 cells was found up to the distance of 45 cm, with the number of infected cells decreasing with distance. By aero‐sampler, viral particles were detected in concentration ≤4.2 TCID50/mL. With both antiviral agents used as coolants, no EAV‐associated RK‐13 cell infection was found.

Conclusion

We managed to predictably demonstrate EAV spread by droplets because of USS action. More importantly, we managed to mitigate the spread by a simple substitution of the USS coolant with NaOCl or EOW.