bluuebunny/crossref_metadata_2025 huggingface dataset:
Role of a lower cutoff of high sensitivity troponin I in identification of early cardiac damage in non-severe patients with COVID-19
Authors: Lin Yiting , Yan Kun , Chen Lingling , Wu Yiqun , Liu Jielan , Chen Yingying , Hou Bingbo , Zhong Ping
Published: February 2022

Cardiac damage in non-severe patients with coronavirus disease 2019 (COVID-19) is poorly explored. This study aimed to explore the manifestations of cardiac damage at presentation in non-severe patients with COVID-19. In this study, 113 non-severe patients with COVID-19 were grouped according to the duration from symptoms onset to hospital admission: group 1 (≤ 1 week, n = 27), group 2 (> 1 to 2 weeks, n = 28), group 3 (> 2 to 3 weeks, n = 27), group 4 (> 3 weeks, n = 31). Clinical, cardiovascular, and radiological data on hospital admission were compared across the four groups. The level of high sensitivity troponin I (hs-cTnI) in group 2 [10.25 (IQR 6.75–15.63) ng/L] was significantly higher than those in group 1 [1.90 (IQR 1.90–8.80) ng/L] and group 4 [1.90 (IQR 1.90–5.80) ng/L] (all Pbonferroni < 0.05). The proportion of patients who had a level of hs-cTnI ≥ 5 ng/L in group 2 (85.71%) was significantly higher than those in the other three groups (37.04%, 51.85%, and 25.81%, respectively) (all Pbonferroni < 0.05). Compared with patients with hs-cTnI under 5 ng/L, those with hs-cTnI ≥ 5 ng/L had lower lymphocyte count (P = 0.000) and SpO2 (P = 0.002) and higher CRP (P = 0.000). Patients with hs-cTnI ≥ 5 ng/L had a higher incidence of bilateral pneumonia (P = 0.000) and longer hospital length of stay (P = 0.000). In conclusion, non-severe patients with COVID-19 in the second week after symptoms onset were most likely to suffer cardiac damage. A detectable level of hs-cTnI ≥ 5 ng/L might be a manifestation of early cardiac damage in the patients.
Design and simulation of the liposomal model by using a coarse-grained molecular dynamics approach towards drug delivery goals
Authors: Parchekani Jalil , Allahverdi Abdollah , Taghdir Majid , Naderi-Manesh Hossein
Published: February 2022

The simulated liposome models provide events in molecular biological science and cellular biology. These models may help to understand the cell membrane mechanisms, biological cell interactions, and drug delivery systems. In addition, the liposomes model may resolve specific issues such as membrane transports, ion channels, drug penetration in the membrane, vesicle formation, membrane fusion, and membrane protein function mechanism. One of the approaches to investigate the lipid membranes and the mechanism of their formation is by molecular dynamics (MD) simulations. In this study, we used the coarse-grained MD simulation approach and designed a liposome model system. To simulate the liposome model, we used phospholipids that are present in the structure of natural cell membranes (1,2-Dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE)). Simulation conditions such as temperature, ions, water, lipid concentration were performed based on experimental conditions. Our results showed a liposome model (ellipse vesicle structure) during the 2100 ns was formed. Moreover, the analysis confirmed that the stretched and ellipse structure is the best structure that could be formed. The eukaryotic and even the bacterial cells have elliptical and flexible structures. Usually, an elliptical structure is more stable than other assembled structures. The results indicated the assembly of the lipids is directed through short-range interactions (electrostatic interactions and, van der Waals interactions). Total energy (Van der Waals and electrostatic interaction energy) confirmed the designed elliptical liposome structure has suitable stability at the end of the simulation process. Our findings confirmed that phospholipids DOPC and DOPE have a good tendency to form bilayer membranes (liposomal structure) based on their geometric shapes and chemical-physical properties. Finally, we expected the simulated liposomal structure as a simple model to be useful in understanding the function and structure of biological cell membranes. Furthermore, it is useful to design optimal, suitable, and biocompatible liposomes as potential drug carriers.
First detection of Hedgehog coronavirus 1 in Poland
Authors: Pomorska-Mól Małgorzata , Ruszkowski Jakub J. , Gogulski Maciej , Domanska-Blicharz Katarzyna
Published: February 2022

Hedgehogs are common in the majority of European countries and are known to host various pathogens, including viruses. The recent discovery of MERS-related coronaviruses (CoVs) in hedgehogs from Germany, France, the UK, China, and Italy suggests that hedgehogs may represent a wild reservoir of betacoronaviruses. This study reports the first detection and characterization of novel betacoronovirus, subgenus Merbecovirus in wild hedgehogs in Poland. The CoV RNA was detected in 10 out of 40 hedgehogs’ rectal swabs and in 1 out of 18 samples of the lung. No viral RNA was identified in the duodenum and kidney. There was no significant relationship between clinical status, gender, hedgehogs' age, and coronaviral RNA detection. Phylogenetic analysis showed that CoVs detected in our study grouped together with other representatives of Hedgehog coronavirus 1 species identified in Western Europe. Our findings provide further evidence that hedgehogs are a natural reservoir of Merbecovirus. Considering the high mutation rate of CoVs and their potential for crossing interspecies barriers, the proper management of hedgehogs admitted to wildlife rehabilitation centres is needed. It cannot be excluded that merbecovirus strains detected in hedgehogs may recombine with other CoVs leading to new viruses with potential for interspecies transmission.
Data-driven testing program improves detection of COVID-19 cases and reduces community transmission
Authors: Krieg Steven J. , Avendano Carolina , Grantham-Brown Evan , Lilienfeld Asbun Aaron , Schnur Jennifer J. , Miranda Marie Lynn , Chawla Nitesh V.
Published: February 2022

COVID-19 remains a global threat in the face of emerging SARS-CoV-2 variants and gaps in vaccine administration and availability. In this study, we analyze a data-driven COVID-19 testing program implemented at a mid-sized university, which utilized two simple, diverse, and easily interpretable machine learning models to predict which students were at elevated risk and should be tested. The program produced a positivity rate of 0.53% (95% CI 0.34–0.77%) from 20,862 tests, with 1.49% (95% CI 1.15–1.89%) of students testing positive within five days of the initial test—a significant increase from the general surveillance baseline, which produced a positivity rate of 0.37% (95% CI 0.28–0.47%) with 0.67% (95% CI 0.55–0.81%) testing positive within five days. Close contacts who were predicted by the data-driven models were tested much more quickly on average (0.94 days from reported exposure; 95% CI 0.78–1.11) than those who were manually contact traced (1.92 days; 95% CI 1.81–2.02). We further discuss how other universities, business, and organizations could adopt similar strategies to help quickly identify positive cases and reduce community transmission.
Adaptive laboratory evolution in S. cerevisiae highlights role of transcription factors in fungal xenobiotic resistance
Authors: Ottilie Sabine , Luth Madeline R. , Hellemann Erich , Goldgof Gregory M. , Vigil Eddy , Kumar Prianka , Cheung Andrea L. , Song Miranda , Godinez-Macias Karla P. , Carolino Krypton , Yang Jennifer , Lopez Gisel , Abraham Matthew , Tarsio Maureen , LeBlanc Emmanuelle , Whitesell Luke , Schenken Jake , Gunawan Felicia , Patel Reysha , Smith Joshua , Love Melissa S. , Williams Roy M. , McNamara Case W. , Gerwick William H. , Ideker Trey , Suzuki Yo , Wirth Dyann F. , Lukens Amanda K. , Kane Patricia M. , Cowen Leah E. , Durrant Jacob D. , Winzeler Elizabeth A.
Published: February 2022

In vitro evolution and whole genome analysis were used to comprehensively identify the genetic determinants of chemical resistance in Saccharomyces cerevisiae. Sequence analysis identified many genes contributing to the resistance phenotype as well as numerous amino acids in potential targets that may play a role in compound binding. Our work shows that compound-target pairs can be conserved across multiple species. The set of 25 most frequently mutated genes was enriched for transcription factors, and for almost 25 percent of the compounds, resistance was mediated by one of 100 independently derived, gain-of-function SNVs found in a 170 amino acid domain in the two Zn2C6 transcription factors YRR1 and YRM1 (p < 1 × 10−100). This remarkable enrichment for transcription factors as drug resistance genes highlights their important role in the evolution of antifungal xenobiotic resistance and underscores the challenge to develop antifungal treatments that maintain potency.
Urban land expansion: the role of population and economic growth for 300+ cities
Authors: Mahtta Richa , Fragkias Michail , Güneralp Burak , Mahendra Anjali , Reba Meredith , Wentz Elizabeth A. , Seto Karen C.
Published: February 2022

Global urban populations are projected to increase by 2.5 billion over the next 30 years. Yet, there is limited understanding of how this growth will affect urban land expansion (ULE). Here, we develop a large-scale study to test explicitly the relative importance of urban population and Gross Domestic Product (GDP) growth in affecting ULE for different regions, economic development levels and governance types for 300+ cities. Our results show that population growth, more than GDP, is consistently the dominant determinant of ULE during 1970–2014. However, the effect of GDP growth on ULE increases in importance after 2000. In countries with strong governance, economic growth contributes more to ULE than population growth. We find that urban population growth and ULE are correlated but this relationship varies for countries at different developmental stages. Lastly, this study illustrates that good governance is a necessary condition for economic growth to affect ULE.
An ultrasound activated cyanine-rhenium(i) complex for sonodynamic and gas synergistic therapy
Authors: Zhu Jiayi , Ouyang Ai , He Jiaqi , Xie Juan , Banerjee Samya , Zhang Qianling , Zhang Pingyu
Published: February 2022

The first example of a rhenium(i) complex for tumor treatment through the synergism of SDT and gas therapy.
Tunable deep-blue luminescence from ball-milled chlorine-rich Csx(NH4)1−xPbCl2Br nanocrystals by ammonium modulation
Authors: Xiao Hongfei , Xiong Hao , Li Ping , Jiang Linqin , Yang Aijun , Lin Lingyan , Kang Zhenjing , Yan Qiong , Qiu Yu
Published: February 2022

Deep-blue emission beyond the Rec. 2020 standard was achieved by a novel class of chlorine-rich Csx(NH4)1−xPbCl2Br (0 < x ≤ 1) perovskite nanocrystals from a facile one-step ball milling for the first time.
Manipulating the organic–inorganic interface of atomically precise Au36(SR)24 catalysts for CO oxidation
Authors: Zhang Yuying , Tang Ancheng , Cai Xiao , Xu Jiayu , Liu Xu , Zhu Yan
Published: February 2022

Atomically precise Au36(SR)24 nanoclusters are used as heterogeneous catalysts to explore the influence of organic–inorganic interfaces on CO oxidation.
Enhancement of charge-assisted hydrogen bond capabilities due to O-alkylation proximity in alkoxy cationic polythiophenes: solution- and solid-state evidence via EPR, AFM and surface free energy
Authors: Domínguez Sergio E. , Vuolle Antti , Fattori Alberto , Ääritalo Timo , Cangiotti Michela , Damlin Pia , Ottaviani M. Francesca , Kvarnström Carita
Published: February 2022

Cationic alkoxy polythiophenes show that a closer O-alkylation to isothiouronium side chains causes an increase of the repulsion(attraction) towards cationic(anionic) molecules, to the extent of behaving similarly to cationic imidazolium analogs.
Nonlinear electronic excitation in water under proton irradiation: a first principles study
Authors: Shepard Christopher , Kanai Yosuke
Published: February 2022

Employing first-principles simulation, we studied the spatial and temporal dependence of the dynamics of holes generated in water under proton irradiation.
Insights into the carbonate effect on water oxidation over metal oxide photocatalysts/photoanodes
Authors: Kusama Hitoshi , Kodera Masanori , Yamashita Koichi , Sayama Kazuhiro
Published: February 2022

By identifying the cause of the positive effect of carbonates, the variety of available photocatalysts/photoelectrodes and that of the products from H2O and solar energy for sustainable development should be extended.
Focusing on a nickel hydrocorphinoid in a protein matrix: methane generation by methyl-coenzyme M reductase with F430 cofactor and its models
Authors: Miyazaki Yuta , Oohora Koji , Hayashi Takashi
Published: February 2022

Methyl-coenzyme M reductase (MCR) containing F430 as a nickel hydrocorphinoid cofactor is responsible for anaerobic methane generation and oxidation. This review describes the fundamental function and recent protein-based functional models of MCR.
Tuning the metathesis performance of a molybdenum oxide-based catalyst by silica support acidity modulation and high temperature pretreatment
Authors: Myradova Mariya , Węgrzynowicz Adam , Węgrzyniak Adam , Gierada Maciej , Jodłowski Przemysław , Łojewska Joanna , Handzlik Jarosław , Michorczyk Piotr
Published: February 2022

Al-Doping of the mesoporous silica support and pre-treatment of the molybdenum oxide-based catalyst in a stream of hydrocarbons or carbon monoxide at high temperature increase significantly its catalytic performance in propylene metathesis.
Graph neural networks for the prediction of infinite dilution activity coefficients
Authors: Sanchez Medina Edgar Ivan , Linke Steffen , Stoll Martin , Sundmacher Kai
Published: February 2022

Graph neural networks were trained for the prediction of infinite dilution activity coefficients.
Explainable graph neural networks for organic cages
Authors: Yuan Qi , Szczypiński Filip T. , Jelfs Kim E.
Published: February 2022

We report the development of explainable Graph Neural Networks to predict shape persistence of organic cages. Integrated gradient analysis identifies collapse-inducing molecular fragments and helps chemists design more shape persistent structures.
Tropical cyclone-induced cold wakes in the northeast Indian Ocean
Authors: Kuttippurath J. , Akhila R. S. , Martin M. V. , Girishkumar M. S. , Mohapatra M. , Balan Sarojini B. , Mogensen K. , Sunanda N. , Chakraborty A.
Published: February 2022

The physical processes during cyclone passage over the ocean. Air–sea interactions.
Possible embryos and precursors of crystalline nuclei of calcium carbonate observed by liquid-cell transmission electron microscopy
Authors: Kimura Yuki , Katsuno Hiroyasu , Yamazaki Tomoya
Published: February 2022

We report the role of an amorphous phase and embryo at the beginning of the nucleation of CaCO3from solutions of relatively low supersaturation.
Sesamol ameliorates dextran sulfate sodium-induced depression-like and anxiety-like behaviors in colitis mice: the potential involvement of the gut–brain axis
Authors: Xia Bing , Liu Xiaoning , Li Xiaohan , Wang Yutang , Wang Danna , Kou Rongwei , Zhang Li , Shi Renjie , Ye Jin , Bo Xiaowei , Liu Qian , Zhao Beita , Liu Xuebo
Published: February 2022

Inflammatory bowel disease (IBD) is accompanied by some psychiatric disorders, including anxiety and depression.
A one-pot and two-stage Baeyer–Villiger reaction using 2,2′-diperoxyphenic acid under biomolecule-compatible conditions
Authors: Gan Shaoyan , Yin Jingru , Yu Zhiyou , Song Lijuan , Shi Lei
Published: February 2022

A Baeyer–Villiger reaction using 2,2′-diperoxyphenic acid was developed and this reaction could be biomolecule-compatible.
Synergistic decarboxylation over Ce-doped Na/SiO2 facilitating functionalized monomer production from furfural for manufacturing polymers
Authors: Qi Yanlong , Feng Ruilin , Liu Shijun , Cui Long , Dai Quanquan , Bai Chenxi
Published: February 2022

An alternative approach with low cost and high efficiency was developed for furfural transformation to a functionalized monomer. Synergistic catalytic process was revealed by DFT, the application of this monomer in polymer production was explored.
Resolution enhancement in micro-XRF using image restoration techniques
Authors: Yang Jie , Zhang Zhenjie , Cheng Qiuming
Published: February 2022

The spatial resolution of micro-XRF can be improved by oversampling and image restoration techniques.
Giant valley splitting in a MoTe2/MnSe2 van der Waals heterostructure with room-temperature ferromagnetism
Authors: Li Qianze , Zhang Cai-xin , Wang Dan , Chen Ke-Qiu , Tang Li-Ming
Published: February 2022

The Curie temperature increases from an intrinsic value of 266 K to 353 K when the biaxial tensile strain of 2.3% is applied to the monolayer MnSe2 magnetic substrate, but the valley splitting of MoTe2 remains as large as 72 meV.
Phytic acid-doped poly-N-phenylglycine potato peels for removal of anionic dyes: investigation of adsorption parameters
Authors: Bouhadjra Kahina , Barras Alexandre , Lemlikchi Wahiba , Addad Ahmed , Das Manash R. , Amin Mohammed A. , Szunerits Sabine , Boukherroub Rabah
Published: February 2022

In this work, we report on enhanced adsorption of anionic dyes, Reactive Blue 49 (RB 49) and Direct Blue 199 (DB 199), using a phytic acid-doped poly-N-phenylglycine@potato peel (PA-PPG@PP) nanocomposite material.
Coumarin-pyridone conjugate as a fluorescent tag for LFPs visualization and electrochemical sensor for nitrite detection
Authors: Manjunatha B. , Bodke Yadav D. , Mounesh  , Nagaraja O. , Navaneethgowda P. V.
Published: February 2022

In this work, a D–π–A based coumarin–pyridone conjugate (CPC) was synthesised by a one-pot multicomponent reaction and the structure was proven from infrared and nuclear magnetic resonance spectroscopies and high-resolution mass spectrometry.
Dithiocarbamate modification of activated carbon for the efficient removal of Pb(ii), Cd(ii), and Cu(ii) from wastewater
Authors: Niu Huai-Yuan , Li Xueting , Li Jishan
Published: February 2022

Proposed adsorption mechanisms: ion exchange and chelation.
The use of advanced spectral imaging to reveal nanoparticle identity in biological samples
Authors: Alshammari Qamar A. , Pala Rajasekharreddy , Barui Ayan K. , Alshammari Saud O. , Nauli Andromeda M. , Katzir Nir , Mohieldin Ashraf M. , Nauli Surya M.
Published: February 2022

Spectral imaging can identify and localize unlabeled molecules in a single living cell and biological tissues, based primarily on spectral identity of the molecules.
A facile approach for hierarchical architectures of an enzyme–metal–organic framework biocatalyst with high activity and stability
Authors: Li Long , Wang Tengyue , Xu Zhengtao , Zhou Wenhua , Yu Xue-Feng
Published: February 2022

Enzyme-incorporated composites with hierarchical porous structures can lead to improved performance of hybrid biocatalysts.
Statistical analysis of PN clusters in Mo/VFe protein crystals using a bond valence method toward their electronic structures
Authors: Yuan Chang , Jin Wan-Ting , Zhou Zhao-Hui
Published: February 2022

Iron valences of 129 P-clusters from FeMo/V proteins were analyzed using a bond valence method, supposing the existence of Fe3+ in a generally considered all-ferrous PN cluster in solution with excess reducing agent.
Sterically demanding macrocyclic Eu(iii) complexes for selective recognition of phosphate and real-time monitoring of enzymatically generated adenosine monophosphate
Authors: Bodman Samantha E. , Breen Colum , Kirkland Sam , Wheeler Simon , Robertson Erin , Plasser Felix , Butler Stephen J.
Published: February 2022

We present two new europium-based anion receptors that selectively bind to inorganic phosphate and AMP in aqueous media. Their sensing selectivity follows the order AMP > ADP > ATP, representing a reversal of the selectivity order observed for most nucleoside phosphate receptors.
Hypervalent iodine-mediated β-difluoroalkylboron synthesis via an unusual 1,2-hydrogen shift enabled by boron substitution
Authors: Lv Wen-Xin , Li Yin , Cai Yuan-Hong , Tan Dong-Hang , Li Zhan , Li Ji-Lin , Li Qingjiang , Wang Honggen
Published: February 2022

A hypervalent iodine-mediated gem-difluorination allows the facile synthesis of β-difluoroalkylborons. An unusual 1,2-hydrogen migration, triggered by boron substitution, is involved.
Modifying the 316L stainless steel surface by an electrodeposition technique: towards high-performance electrodes for alkaline water electrolysis
Authors: Alhakemy Ahmed Zaki , Ahmed Amine Nassr Abu Bakr , Kashyout Abd El-Hady , Wen Zhenhai
Published: February 2022

A simple electrodeposition process has been used to modify the stainless steel surface with nickel phosphide nanoparticles for use as a highly active, stable, and inexpensive OER/HER bifunctional electrocatalyst in alkaline overall water splitting.
Preserving the stoichiometry of triple-cation perovskites by carrier-gas-free antisolvent spraying
Authors: Telschow Oscar , Albaladejo-Siguan Miguel , Merten Lena , Taylor Alexander D. , Goetz Katelyn P. , Schramm Tim , Konovalov Oleg V. , Jankowski Maciej , Hinderhofer Alexander , Paulus Fabian , Schreiber Frank , Vaynzof Yana
Published: February 2022

The method of antisolvent application used during the fabrication of solution-processed lead halide perovskite layers influences their microstructure, stoichiometry and consequently, their photovoltaic performance.
Nanostructured interfacial dipole layers for high-performance and highly stable nonvolatile organic field-effect transistor memory
Authors: Yang Yonghao , Li Zhigang , Wu Chunhui , Li Wen , Wang Jin , Yi Mingdong , Huang Wei
Published: February 2022

An interfacial dipole layer formed between the solution-processed charge trapping nanostructures and the active layer enables significant improvement of the charge storage capability and stability.
Organotelluroxane molecular clusters assembled via Te⋯X− (X = Cl−, Br−) chalcogen bonding anion template interactions
Authors: Docker Andrew , Martínez Martínez Antonio J. , Kuhn Heike , Beer Paul D.
Published: February 2022

The synthesis of two novel molecular organotelluroxane clusters are described, wherein Te(iv) centred electrophilicity is crucial in the chalcogen bonding anion template directed assembly. These assemblies exhibit aggregation induced emission (AIE).
A pressure-induced ratiometric signalling chemosensor: a case of helical anthracenes
Authors: Kinoshita Tomokazu , Fujise Kei , Tsurumaki Eiji , Toyota Shinji , Fukuhara Gaku
Published: February 2022

A helical anthracene-based chemosensor that shows ratiometric fluorescence signalling upon hydrostatic pressurization was newly constructed, in which a contraction behavior of the helical pitch plays a pivotal role.
Synthesis, properties and chemical modification of a persistent triisopropylsilylethynyl substituted tri(9-anthryl)methyl radical
Authors: Nishiuchi Tomohiko , Ishii Daisuke , Aibara Seito , Sato Hiroyasu , Kubo Takashi
Published: February 2022

The triisopropylsilylethynyl substitute tri(9-anthryl)methyl (TAntM) radical is extremely persistent and can be chemically modified directly without harsh conditions or metal catalysts.
Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties
Authors: Cao Ming-Yang , Hu Chun-Li , Chen Peng-Fei , Wang Qian , Li Bing-Xuan , Lin Yuan , Mao Jiang-Gao
Published: February 2022

Cd4REO(BO3)3 (RE = Sm, Eu, Tb) obtained by introducing non-centrosymmetric (NCS) groups into borates have high stability and good SHG signals and fluorescence performance.
Impact of the terahertz and optical pump penetration depths on generated strain waves temporal profiles in a V2O3 thin film
Authors: Huitric Guénolé , Rodriguez-Fano Michael , Gournay Lucas , Godin Nicolas , Hervé Marius , Privault Gaël , Tranchant Julien , Khaldi Zohra , Cammarata Marco , Collet Eric , Janod Etienne , Odin Christophe
Published: February 2022

Strain waves generated in pump probe experiments through thermoelastic interaction modulate transient optical transmission. Terahertz uniform or optical exponentially decaying pump profiles effects are investigated in metallic thin film V2O3.
Main-chain/side-chain type phosphine oxide-containing reactive polymers derived from the same monomer: controllable RAFT polymerisation and ring-opening polycondensation
Authors: Sun Jian , Hong Yu-Lin , Wang Chang , Tan Zhi-Wei , Liu Cheng-Mei
Published: February 2022

This paper reports the synthesis and selective polymerisations of an epoxy-rich phosphine oxide-containing styrenic monomer, namely 4-vinylbenzyl-bis((oxiran-2-ylmethoxy)methyl) phosphine oxide (VBzBOPO).
Relationship Between Cognitive Functions and Multilevel Language Processing: Data From Chinese Speakers With Aphasia and Implications
Authors: Wong Wing Sze Winsy , Law Sam Po
Published: February 2022

Purpose:

This study aims to investigate the relationship between nonverbal cognitive functions and language processing of people with aphasia (PWA) by taking a data-driven approach, as well as multiple cognitive components and multilevel linguistic perspectives. It is hypothesized that language performance is differentially associated with cognitive processing of PWA, with executive functions (EFs) playing a stronger role in language tasks with increasing linguistic complexity.

Method:

A language battery assessing word comprehension/production, sentence comprehension, and discourse production, together with a series of nonlinguistic cognitive tasks targeting simple/complex attention, short-term/working memory, or EFs, was administered to 53 Cantonese-speaking PWA. Cognitive factors extracted from principal component analysis applied to the cognitive battery served as predictors in four multiple regression analyses to predict PWA's performance at various linguistic levels.

Results:

Two cognitive factors, representing (a) simple attention and memory and (b) EF, were extracted. The former predicted performance in word processing tasks, whereas EF significantly predicted performance in all language tasks with increasing contribution as a function of linguistic complexity.

Conclusion:

The results based on Chinese PWA provide comprehensive evidence for the view that language performance is the end product of interaction between linguistic and nonlinguistic functions and have clear implications for clinical management of PWA.
Adaptive event‐triggered output‐feedback control for switched nonlinear systems with time‐varying delays: A modified MDADT method
Authors: Kong Jie , Niu Ben , Zhang Jia‐Ming , Wang Zhen‐Hua , Wang Huan‐Qing
Published: February 2022

In this paper, the issue of adaptive event‐triggered output‐feedback control for a class of switched nonlinear systems with time‐varying delays is investigated. By adopting the mode‐dependent average dwell time (MDADT) method and the backstepping technique, an adaptive neural output‐feedback control strategy is proposed for the switched system with event‐triggered mechanism. In the process of controller design, an intelligent approximation technique and a switched filter are introduced to overcome the difficulties caused by the unknown nonlinear functions and the immeasurable states, respectively. Moreover, the appropriate Lyapunov–Krasovskii functionals are designed to compensate the effects of time delays. It is proved that the proposed control strategy guarantees that all the signals in the switched closed‐loop systems are bounded under arbitrary switchings with MDADT. In the end, two simulation examples are provided to illustrate the feasibility of the developed control strategy.
Super‐resolution reconstruction method of infrared images of composite insulators with abnormal heating based on improved SRGAN
Authors: Zhong Zheng , Chen Yuan , Hou Sizu , Wang Bowen , Liu Yunpeng , Geng Jianghai , Fan Shuochao , Wang Dewen , Zhang Xu
Published: February 2022

Abnormal heating of composite insulators on ultra‐high voltage (UHV) transmission lines is widespread under high humidity and heat in southern China. The infrared imaging technology can be used of quickly and effectively detect insulators with abnormal heating and determine their defect types. However, it may cause misjudgement when the infrared images are not clear. A super‐resolution reconstruction method of infrared images of composite insulators with abnormal heating based on improved super‐resolution generative adversarial networks (SRGAN) is proposed in this paper, and the dense residual network in SRGAN is perfected by introducing the residual channel attention (ResCA). This method overcomes the problems that the resolution of images reconstructed by traditional methods is not significantly improved, and images are too smooth, and the edge details are easily lost. Compared with the traditional methods, the five reference‐free image quality evaluation indexes of the image reconstructed by the improved SRGAN are increased by −0.73% to 63.84%. Further the effectiveness and superiority of the improved SRGAN are verified by comparing the changes in the distribution of grey values of infrared images before and after reconstruction. Finally, the improved SRGAN is used to perform super‐resolution reconstruction of the low‐resolution infrared image examples.
Type III radio bursts and excitation of Langmuir waves by energetic electrons
Authors: Mann G. , Vocks C. , Warmuth A.
Published: February 2022

Context.Solar activity occurs not only in terms of the well-known 11-year Sun spot cycle but also in terms of short-lived phenomena as radio bursts. For instance, type III radio bursts are the most common phenomenon of this activity in the Sun’s radio radiation. In dynamic radio spectra, they appear as short-lived stripes of enhanced radio emission rapidly drifting from high to low frequencies. They are regarded as the radio signature of beams of energetic electrons travelling along magnetic field lines in the corona. The radio emission is thought to be plasma emission, that is to say the radio emission happens near the electron plasma frequency and/or its harmonics. Plasma emission means, that energetic electrons excite Langmuir waves, which convert into radio waves.

Aims.Initially, energetic electrons are injected in a small region in the corona. Due to their spatio-temporal evolution, they develop a beam-like velocity distribution function (VDF), which is able to excite Langmuir waves. The aim of the paper is to study the spatio-temporal behaviour of the generation of Langmuir waves under coronal cirumstances and its effect on type III radio bursts.

Methods.The generation of Langmuir waves is treated by means of the Maxwell-Vlasov equations. The results are discussed by employing plasma parameters usually found in the corona, for instance at the 150 MHz level.

Results.The Langmuir waves associated with the type III bursts are not generated by a monoenergetic electron beam, but by a population of energetic electrons with a broad velocity distribution. Hence, the Langmuir waves are produced by different parts of the energetic electron population at different times and positions.

Conclusions.In the case of type III bursts, the velocities derived from their drift rates in dynamic radio spectra are not the velocities of electrons, which generate the onset of the type III burst at a given frequency. That can lead to an apparent accelerated motion of the type III radio burst source.
Spatiotemporal pattern formation in a prey–predator model with generalist predator
Authors: Manna Kalyan , Banerjee Malay
Published: February 2022

Generalist predators exploit multiple food sources and it is economical for them to reduce predation pressure on a particular prey species when their density level becomes comparatively less. As a result, a prey-predator system tends to become more stable in the presence of a generalist predator. In this article, we investigate the roles of both the diffusion and nonlocal prey consumption in shaping the population distributions for interacting generalist predator and its focal prey species. In this regard, we first derive the conditions associated with Turing instability through linear analysis. Then, we perform a weakly nonlinear analysis and derive a cubic Stuart-Landau equation governing amplitude of the resulting patterns near Turing bifurcation boundary. Further, we present a wide variety of numerical simulations to corroborate our analytical findings as well as to illustrate some other complex spatiotemporal dynamics. Interestingly, our study reveals the existence of traveling wave solutions connecting two spatially homogeneous coexistence steady states in Turing domain under the influence of temporal bistability phenomenon. Also, our investigation shows that nonlocal prey consumption acts as a stabilizing force for the system dynamics.
Construction Industry–Associated Penetrating Craniocerebral Injuries
Authors: Su Jiahao , Liang Sitao , Lin Qichang , Hu Zihui , Liao Wei , Zhu Yonghua
Published: February 2022

Background Various high-energy tasks in the construction industry can lead to craniocerebral injuries. Construction industry–associated penetrating craniocerebral injuries due to metal foreign bodies have unique characteristics. However, no norms exist for removing metal foreign bodies and preventing secondary trauma. This study aimed to explore the characteristics and treatment of construction industry–associated penetrating craniocerebral injuries due to metal foreign bodies.

Methods Data of patients who suffered from penetrating injuries due to metal foreign bodies and were treated in the Zhongshan People's Hospital from 2001 to 2021 were collected based on the causes of injuries to explore disease characteristics and therapeutic effects.

Results A total of six patients with penetrating craniocerebral injuries due to metal foreign bodies, who underwent surgeries, were included in the study. Five patients recovered well after the surgery, and one patient died. In four patients, intracranial infection complicated the course after surgery, and two patients had delayed intracranial hematoma.

Conclusion Patients with construction industry–associated penetrating craniocerebral injuries due to metal foreign bodies are prone to coma and intracranial vascular injuries. Early surgical removal and prevention of intracranial infection are key to achieving good therapeutic effects.
Influence of the absorption layer on the pulsed laser (355 nm) annealing thermal budget during formation of Ni-based ohmic contacts on 4H-SiC substrate
Authors: Ding Jianwen , Li Xin , Yang Kaiming , Zhu Yu , Chen Jing , Zhang Chengpeng , He Longchao
Published: February 2022

Laser annealing has attracted significant attention for ohmic contacts of the 4H-SiC substrate, especially Ni-based ohmic contact. In this study, a metallic capping layer (Ti, Nb, Mo, W, or Ag) was placed on the top of Ni as the absorption layer for a 355 nm laser, and the effect of the absorption layer on the laser annealing thermal budget was investigated. The temperature fields of the layer (30 nm)/Ni (70 nm)/4H-SiC (100 μm) contacts were simulated numerically using the finite element method. The results demonstrated that the thermal budget can be affected by the main properties of the layer, including the laser absorptivity, thermal conduction coefficient, specific heat capacity, and density. In thermal budget recipes, the energy density required for ohmic contact at each pulse width can be reduced when the product of the latter three parameters is low. However, the optical absorptivity of the layer is critical to reducing the thermal budget. Ti, which has high absorptivity, a small product, and a high melting point, is an excellent absorption layer for Ni-based ohmic contacts that connect to the 4H-SiC substrate.
Three-dimensional characteristics of turbulent flow and heat transfer in Czochralski silicon melt with different cusp magnetic field configurations
Authors: Ding Junling , Li Yuqing
Published: February 2022

Three-dimensional unsteady simulations are performed for the turbulent flow and heat transfer in a Czochralski silicon melt for 300 mm crystal growth. The influence of the horizontal symmetry plane in the cusp magnetic field on the melt flow, temperature field, and crystal/melt interface is systematically analyzed. The numerical results show that the melt velocity and its fluctuation near the interface decrease, while the temperature and its fluctuation increase gradually with the downward horizontal symmetry plane position. For each horizontal symmetry plane position, the oscillation frequencies of melt temperature and velocity consist of a basic frequency and its integer multiple frequencies. Thermal waves with a regular shape rotate on the melt-free surface, and the rotational direction is consistent with the crucible rotation. The interface shape is strongly associated with the heat transfer near the interface, which depends on the melt flow direction and velocity magnitude as well as the temperature gradient below the crystal. In addition, the oscillation of interface temperature is affected by the melt flow below the crystal, changing from high-frequency small fluctuation to low-frequency large fluctuation with the horizontal symmetry plane moving down.
Metal–organic frameworks properties from hybrid density functional approximations
Authors: Donà Lorenzo , Brandenburg Jan Gerit , Civalleri Bartolomeo
Published: February 2022

The chemical versatility and modular nature of Metal–Organic Frameworks (MOFs) make them unique hybrid inorganic–organic materials for several important applications. From a computational point of view, ab initio modeling of MOFs is a challenging and demanding task, in particular, when the system reaches the size of gigantic MOFs as MIL-100 and MIL-101 (where MIL stands for Materials Institute Lavoisier) with several thousand atoms in the unit cell. Here, we show how such complex systems can be successfully tackled by a recently proposed class of composite electronic structure methods revised for solid-state calculations. These methods rely on HF/density functional theory hybrid functionals (i.e., PBEsol0 and HSEsol) combined with a double-zeta quality basis set. They are augmented with semi-classical corrections to take into account dispersive interactions (D3 scheme) and the basis set superposition error (gCP). The resulting methodologies, dubbed “sol-3c,” are cost-effective yet reach the hybrid functional accuracy. Here, sol-3c methods are effectively applied to predict the structural, vibrational, electronic, and adsorption properties of some of the most common MOFs. Calculations are feasible even on very large MOFs containing more than 2500 atoms in the unit cell as MIL-100 and MIL-101 with reasonable computing resources. We propose to use our composite methods for the routine in silico screening of MOFs targeting properties beyond plain structural features.
Characteristics of forced flow past a square cylinder with steady suction at leading-edge corners
Authors: Meng Hao , Chen Wenli , Chen Guanbin , Gao Donglai , Li Hui
Published: February 2022

We experimentally investigate the characteristics of a dynamic wake and of flow separation for a square cylinder with steady suction at its leading-edge corners. The wind tunnel experiments were conducted at a Reynolds number of 5946, and suction slots were manufactured symmetrically at the leading corners of the square cylinder. Steady suction was characterized with a suction momentum coefficient Cμ varying from 0.0227 to 0.3182. A time-resolved particle image velocimetry system was used to evaluate the control of leading-edge suction at different Cμ. Next, the measurements were analyzed by applying a proper orthogonal decomposition (POD) to study the control effectiveness. The POD results suggest that the first four modes of wake vortex shedding are transformed in controlled cases and that periodic Karman vortex shedding is suppressed. The results also show that, even with a very small momentum coefficient, the steady suction at the leading-edge corners stabilizes the cylinder wake. The wake region becomes longer and narrower in comparison with the baseline case. In addition, modifications of separation flow were visualized. At quite small Cμ, flow separation at the leading-edge corners is considerably suppressed. Upon increasing the suction momentum coefficient to 0.1364, flow separation at the leading edges is almost eliminated. Finally, we estimate the effect of drag reduction due to the leading-edge suction.
On the compressible biglobal stability of the mean flow motion in porous channels
Authors: Akiki Michel , Majdalani Joseph
Published: February 2022

This work relies on a compressible biglobal stability approach to describe the wave dynamics in a planar rocket chamber modeled as a porous channel. At first, the effectiveness of the compressible formulation is demonstrated by reproducing, in the absence of a mean flow, the Helmholtz frequencies and mode shapes. Next, the unsteady vorticity fluctuations, which intensify near the walls, are shown to be consistent with those associated with parietal vortex shedding. In this context, the penetration depth of vorticoacoustic waves is found to be strongly dependent on the penetration number. The latter gauges the cubic power of the injection speed to the product of kinematic viscosity, chamber half-height, and frequency squared. As for the strictly hydrodynamic modes, they seem to develop at the porous walls and grow in the core region, where the mean flow velocity is most appreciable. The ensuing modal analysis enables us to predict both longitudinal and transverse modes for several test cases, thus illustrating the tendency of hydrodynamic modes to intensify at higher injection speeds and longer chambers. Furthermore, by repeating the analysis with an active mean flow, one finds that successive increases in the injection speed gradually reduce the predicted frequencies relative to the eigenmodes obtained in a quiescent medium. Finally, recognizing that the spectral analysis is capable of recovering both longitudinal and transverse modes induced by acoustic and hydrodynamic disturbances, their coupled interactions, which often lead to specifically amplified frequencies in static tests, are robustly captured, namely, without resorting to any particular wave decomposition.
Shock-induced spallation in a nanocrystalline high-entropy alloy: An atomistic study
Authors: Thürmer Daniel , Gunkelmann Nina
Published: February 2022

High-entropy alloys are attracting an increasing interest due to their promising mechanical properties. However, their high-pressure properties are not fully understood. We study shock-induced spallation in a nanocrystalline high-entropy alloy using various grain sizes. Our results show that the spall strengths for the nanocrystals are significantly reduced in comparison to single crystals. In contrast to previous results on single crystals, we observe a large number of stacking faults, twins, and dislocations during the shock, which persist even during the release of the shock wave. This behavior is in good agreement with recent experiments of shock loading via high power lasers where pronounced nanotwinning has been observed in the recovered samples.
Study on effect of nanoparticles on boiling phase transition by using molecular dynamics simulation
Authors: Qin Yangjun , Zhao Jin , Tang Zhuolin , Wang Yanbiao
Published: February 2022

The effects of nanoparticles on phase transition of Ar/Cu nanofluid were performed by adopting non-equilibrium molecular dynamics (NEMD) simulation. For the study of nanofluid phase transition phenomena, the physical parameters of the nanofluid such as total energy, temperature, density, the number of gas atoms, and thermal conductivity of Ar/Cu nanofluid were calculated. By adding more nanoparticles into Ar fluid, the temperature rise rate decreased and the phase transition time occurred in more time. Phase transition time was delayed by up to 24.7%. The results showed that increasing the number of nanoparticles led to more Ar atoms within the solid–liquid interaction forces. Furthermore, the thermal conductivity of Ar/Cu nanofluid was calculated by using the Green–Kubo and NEMD methods. The enhancement of thermal conductivity of nanofluid can be up to 12.5% compared with base fluid, and the maximum thermal conductivity was 0.64 W/mK. The heat flux enhanced with more nanoparticles.
Numerical investigation of airfoilrotor interaction at low Reynolds number
Authors: Wu Jiafeng , Jiang Hanbo , Ma Zhaokai , Chen Wangqiao , Huang Xun
Published: February 2022

Unmanned aerial vehicles (UAVs) have become an important research topic due to their wide range of applications and potential to meet the future air transportation demands. In many configurations of UAVs, the rotors interact with the wake of upstream bodies, which is of pivotal importance to the aerodynamic and aeroacoustic performance. The studies of flow structures and noise sources for rotors interacting with adjacent upstream bodies at Reynolds numbers lower than 105, which is the operating condition of most small UAVs, are limited. In the current study, numerical simulations are conducted to investigate the interaction between a rotor and the wake of an airfoil at low Reynolds numbers around 104 using the Spalart–Allmaras delayed detached eddy simulation method and acoustic analogy based on Farassat's formulation 1 A. The results show that the axial forces and the surface pressure perturbations of the airfoil are closely coupled with the rotor rotation. The effect of interaction on the rotor blades depends on the relative angle of attack. Furthermore, an analysis of the surface pressure fluctuations corresponding to the noise sources shows that the tonal noise at the blade passing frequency and its harmonics is mainly caused by periodical interaction, and the high-frequency noise is produced by the shedding vortex at the trailing edge of the rotor.
Electronic relaxation of photoexcited open and closed shell adsorbates on semiconductors: Ag and Ag2 on TiO2
Authors: Vazhappilly Tijo , Han Yulun , Kilin Dmitri S. , Micha David A.
Published: February 2022

A theoretical treatment based on the equations of motion of an electronic reduced density matrix, and related computational modeling, is used to describe and calculate relaxation times for nanostructured TiO2(110) surfaces, here for Ag and Ag2 adsorbates. The theoretical treatment deals with the preparation of a photoexcited system under two different conditions, by steady light absorption with a cutoff and by a light pulse, and describes the following relaxation of electronic densities. On the computational modeling, results are presented for electronic density of states, light absorbance, and relaxation dynamics, comparing results for Ag and Ag2 adsorbates. The aim of this work is to provide insight on the dynamics and magnitude of relaxation rates for a surface with adsorbed open- and closed-shell Ag species to determine whether the advantages in using them to enhance light absorbance remain valid in the presence of charge density relaxation. Different behaviors can be expected depending on whether the adsorbate particles (Ag metal clusters in our present choice) have electronic open-shell or closed-shell structures. Calculated electron and hole lifetimes are given for pure TiO2(110), Ag/TiO2(110), and Ag2/TiO2(110). The present results, while limited to chosen structures and photon wavelengths, show that relaxation rates are noticeably different for electrons and holes, but comparable in magnitude for pure and adsorbate surfaces. Overall, the introduction of the adsorbates does not lead to rapid loss of charge carriers, while they give large increases in light absorption. This appears to be advantageous for applications to photocatalysis.