bluuebunny/crossref_metadata_2025 huggingface dataset:
Quasiprobability decompositions with reduced sampling overhead
Authors: Piveteau Christophe , Sutter David , Woerner Stefan
Published: February 2022

Quantum error-mitigation techniques can reduce noise on current quantum hardware without the need for fault-tolerant quantum error correction. For instance, the quasiprobability method simulates a noise-free quantum computer using a noisy one, with the caveat of only producing the correct expected values of observables. The cost of this error mitigation technique manifests as a sampling overhead which scales exponentially in the number of corrected gates. In this work, we present an algorithm based on mathematical optimization that aims to choose the quasiprobability decomposition in a noise-aware manner. This directly leads to a significantly lower basis of the sampling overhead compared to existing approaches. A key element of the novel algorithm is a robust quasiprobability method that allows for a tradeoff between an approximation error and the sampling overhead via semidefinite programming.
Entanglement-based quantum communication complexity beyond Bell nonlocality
Authors: Ho Joseph , Moreno George , Brito Samuraí , Graffitti Francesco , Morrison Christopher L. , Nery Ranieri , Pickston Alexander , Proietti Massimiliano , Rabelo Rafael , Fedrizzi Alessandro , Chaves Rafael
Published: February 2022

Efficient distributed computing offers a scalable strategy for solving resource-demanding tasks, such as parallel computation and circuit optimisation. Crucially, the communication overhead introduced by the allotment process should be minimised—a key motivation behind the communication complexity problem (CCP). Quantum resources are well-suited to this task, offering clear strategies that can outperform classical counterparts. Furthermore, the connection between quantum CCPs and non-locality provides an information-theoretic insight into fundamental quantum mechanics. Here we connect quantum CCPs with a generalised non-locality framework—beyond Bell’s paradigmatic theorem—by incorporating the underlying causal structure, which governs the distributed task, into a so-called non-local hidden-variable model. We prove that a new class of communication complexity tasks can be associated with Bell-like inequalities, whose violation is both necessary and sufficient for a quantum gain. We experimentally implement a multipartite CCP akin to the guess-your-neighbour-input scenario, and demonstrate a quantum advantage when multipartite Greenberger-Horne-Zeilinger (GHZ) states are shared among three users.
Influential nodes identification using network local structural properties
Authors: Wang Bin , Zhang Junkai , Dai Jinying , Sheng Jinfang
Published: February 2022

With the rapid development of information technology, the scale of complex networks is increasing, which makes the spread of diseases and rumors harder to control. Identifying the influential nodes effectively and accurately is critical to predict and control the network system pertinently. Some existing influential nodes detection algorithms do not consider the impact of edges, resulting in the algorithm effect deviating from the expected. Some consider the global structure of the network, resulting in high computational complexity. To solve the above problems, based on the information entropy theory, we propose an influential nodes evaluation algorithm based on the entropy and the weight distribution of the edges connecting it to calculate the difference of edge weights and the influence of edge weights on neighbor nodes. We select eight real-world networks to verify the effectiveness and accuracy of the algorithm. We verify the infection size of each node and top-10 nodes according to the ranking results by the SIR model. Otherwise, the Kendall $$\tau$$
τ
coefficient is used to examine the consistency of our algorithm with the SIR model. Based on the above experiments, the performance of the LENC algorithm is verified.
Associations and recovery dynamics of the nasopharyngeal microbiota during influenza-like illness in the aging population
Authors: Shetty Sudarshan A. , van Beek Josine , Bijvank Elske , Groot James , Kuiling Sjoerd , Bosch Thijs , van Baarle Debbie , Fuentes Susana
Published: February 2022

Influenza-like illness (ILI), a disease caused by respiratory pathogens including influenza virus, is a major health concern in older adults. There is little information on changes and recovery dynamics of the nasopharyngeal (NP) microbiota of older adults associated with an ILI. Here, we compared the NP microbiota in older adults reporting (n = 240) or not (n = 157) ILI during the 2014–2015 influenza season at different times of the ILI event. A small but significant effect of the ILI was observed on the microbiota community composition and structure when compared to controls and samples collected at recovery.Corynebacteriumwas negatively associated with ILI and its abundance increased after recovery. Potential pathobionts such asHaemophilus,PorphyromonasandGemellahad higher abundances during acute-ILI. Stability and changes in the NP microbial community showed individual dynamics. Key core genera,Corynebacterium, MoraxellaandDolosigranulumexhibited higher inter-individual variability in acute-ILI, but showed comparable variability to controls after recovery. Participants in the ILI group with higher core microbiota abundances at the acute phase showed higher microbiota stability after recovery. Our findings demonstrate that acute-ILI is associated with alterations in the phylogenetic structure of the NP microbiota in older adults. The variation in the core microbiota suggests imbalances in the ecosystem, which could potentially play a role in the susceptibility and recovery of the NP microbiota after an ILI event.
Classification of regular and chaotic motions in Hamiltonian systems with deep learning
Authors: Celletti Alessandra , Gales Catalin , Rodriguez-Fernandez Victor , Vasile Massimiliano
Published: February 2022

This paper demonstrates the capabilities of convolutional neural networks (CNNs) at classifying types of motion starting from time series, without any prior knowledge of the underlying dynamics. The paper applies different forms of deep learning to problems of increasing complexity with the goal of testing the ability of different deep learning architectures at predicting the character of the dynamics by simply observing a time-ordered set of data. We will demonstrate that a properly trained CNN can correctly classify the types of motion on a given data set. We also demonstrate effective generalisation capabilities by using a CNN trained on one dynamic model to predict the character of the motion governed by another dynamic model. The ability to predict types of motion from observations is then verified on a model problem known as the forced pendulum and on a relevant problem in Celestial Mechanics where observational data can be used to predict the long-term evolution of the system.
APOE genetics influence murine gut microbiome
Authors: Zajac Diana J. , Green Stefan J. , Johnson Lance A. , Estus Steven
Published: February 2022

Apolipoprotein E (APOE) alleles impact pathogenesis and risk for multiple human diseases, making them primary targets for disease treatment and prevention. Previously, we and others reported an association between APOE alleles and the gut microbiome. Here, we evaluated effects of APOE heterozygosity and tested whether these overall results extended to mice maintained under ideal conditions for microbiome analyses. To model human APOE alleles, this study used APOE targeted replacement (TR) mice on a C57Bl/6 background. To minimize genetic drift, homozygous APOE3 mice were crossed to homozygous APOE2 or homozygous APOE4 mice prior to the study, and the resulting heterozygous progeny crossed further to generate the study mice. To maximize environmental homogeneity, mice with mixed genotypes were housed together and used bedding from the cages was mixed and added back as a portion of new bedding. Fecal samples were obtained from mice at 3-, 5- and 7-months of age, and microbiota analyzed by 16S ribosomal RNA gene amplicon sequencing. Linear discriminant analysis of effect size (LefSe) identified taxa associated with APOE status, depicted as cladograms to show phylogenetic relatedness. The influence of APOE status was tested on alpha-diversity (Shannon H index) and beta-diversity (principal coordinate analyses and PERMANOVA). Individual taxa associated with APOE status were identified by classical univariate analysis. Whether findings in the APOE mice were replicated in humans was evaluated by using published microbiome genome wide association data. Cladograms revealed robust differences with APOE in male mice and limited differences in female mice. The richness and evenness (alpha-diversity) and microbial community composition (beta-diversity) of the fecal microbiome was robustly associated with APOE status in male but not female mice. Classical univariate analysis revealed individual taxa that were significantly increased or decreased with APOE, illustrating a stepwise APOE2-APOE3–APOE4 pattern of association with heterozygous animals trending as intermediate in the stepwise pattern. The relative abundance of bacteria from the class Clostridia, order Clostridiales, family Ruminococacceae and related genera increased with APOE2 status. The relative abundance of Erysipelotrichia increased with APOE4 status, a finding that extended to humans. In this study, wherein mice were maintained in an ideal fashion for microbiome studies, gut microbiome profiles were strongly and significantly associated with APOE status in male APOE-TR mice. Erysipelotrichia are increased with APOE4 in both mice and humans. APOE allelic effects appeared generally intermediate in heterozygous animals. Further evaluation of these findings in humans, as well as studies evaluating the impact of the APOE-associated microbiota on disease-relevant phenotypes, will be necessary to determine if alterations in the gut microbiome represent a novel mechanism whereby APOE alleles impact disease.
Endogenous controls and microRNA profile in female patients with obstructive sleep apnea
Authors: Zapater Andrea , Benítez Iván D. , Santamaria-Martos Fernando , Pinilla Lucía , Targa Adriano , De Gonzalo-Calvo David , Torres Gerard , Mínguez Olga , Cortijo Anunciación , Dalmases Mireia , Barbé Ferrán , Sánchez-de-la-Torre Manuel
Published: February 2022

Recent studies have evaluated the potential of circulating microRNAs (miRNAs) as valuable biomarkers for characterizing obstructive sleep apnea (OSA) in males. The potential use of miRNAs as clinical indicators in females is unknown. The objective is to identify a set of miRNAs to be used as endogenous controls (ECs) in female patients with OSA. Then, to analyze differences in the miRNA expression profile between patients with and without OSA. This observational, longitudinal study included 85 females with suspected OSA who underwent a polysomnography. OSA was defined as an apnea hypopnea index ≥ 15 events/h. The study population was stratified into 50 OSA patients and 38 non-OSA patients. Exploratory expression profiling of 188 miRNAs consistent and reliable in plasma was performed in a discovery cohort of 21 patients by TaqMan-Low-Density-Array (TLDA). The best ECs were identified by mean centre + standard deviation normalization and concordance correlation restricted normalization. Differentially expressed candidate miRNAs were selected for RT-qPCR validation in a validation cohort of 64 patients. Three circulating miRNAs (miR-30a-5p, miR-93-3p and miR-532-5p) were identified as most stable for use as ECs. Twenty-seven miRNA candidates were identified as potential biomarkers for OSA screening (p value < 0.025) in the TLDA cohort. However, validation cohort showed no differences in the circulating miRNA profile in female patients with and without OSA. We identified a set of ECs in females with OSA that may contribute to result homogeneity in determining circulating miRNAs. Exploratory analysis did not identify a significantly miRNA profile between female patients with and without OSA.
Single bout of exercise triggers the increase of vitamin D blood concentration in adolescent trained boys: a pilot study
Authors: Dzik Katarzyna Patrycja , Grzywacz Tomasz , Łuszczyk Marcin , Kujach Sylwester , Flis Damian Józef , Kaczor Jan Jacek
Published: February 2022

Vitamin D is necessary for musculoskeletal health, however, the supplementation of vitamin D above the sufficiency level does not bring additional bone mass density (BMD), unlike physical exercise which enhances the bone formatting process. Regular physical activity has been shown to upregulate VDR expression in muscles and to increase circulating vitamin D. Here we investigate whether a single bout of exercise might change 25(OH)D3 blood concentration and how it affects metabolic response to exercise. Twenty-six boys, 13.8 years old (SD ± 0.7) soccer players, participated in the study. The participants performed one of two types of exercise: the first group performed the VO2max test until exhaustion, and the second performed three times the repeated 30 s Wingate Anaerobic Test (WAnT). Blood was collected before, 15 min and one hour after the exercise. The concentration of 25(OH)D3, parathyroid hormone (PTH), interleukin-6 (IL-6), lactate, non-esterified fatty acids (NEFA) and glycerol were determined. 25(OH)D3 concentration significantly increased after the exercise in all boys. The most prominent changes in 25(OH)D3, observed after WAnT, were associated with the rise of PTH. The dimensions of response to the exercises observed through the changes in the concentration of 25(OH)D3, PTH, NEFA and glycerol were associated with the significant increases of IL-6 level. A single bout of exercise may increase the serum’s 25(OH)D3 concentration in young trained boys. The intensive interval exercise brings a more potent stimulus to vitamin D fluctuations in young organisms. Our results support the hypothesis that muscles may both store and release 25(OH)D3.
Effects of congested fixture and matches’ participation on internal and external workload indices in professional soccer players
Authors: Garcia Gabriel Rodrigues , Gonçalves Luiz Guilherme C. , Clemente Filipe Manuel , Nakamura Fábio Yuzo , Nobari Hadi , Bedo Bruno Luiz Souza , Azevedo Angelo Melim , Guerra Mauro Antonio , Aquino Rodrigo
Published: February 2022

This study aimed to verify the effects of congested fixture and matches’ participation on internal and external workload indexes in professional Brazilian soccer players. Rate of perceived exertion-based training load (sRPE), distance- and accelerometry-based measures were daily monitored over 119 training sessions and 33 matches performed by 29 male outfield players. Weeks were classified as congested (n = 11, two or more matches within a 7-day period) and regular (n = 10, one match or less within a 7-day period). The players were divided based on the matches’ participation: (1) players who played ≥ 60 min (G1); (2) players who played < 60 min (G2); (3) players who did not participate of the match (G3). The findings showed that independent of the levels of participation during the matches, regular weeks presented greater acute, monotony, and strain indices for internal and external workload measures than congested weeks. The G1 presented the highest values for most of the workload indices in both regular and congested weeks, except for monotony indices (internal and external load) that G2 showed greater values than G1 and G3. Coaches and practitioners should plan the training “doses” to reduce disparities of these different match’s participation and congested schedule weeks.
Thermo-mechanical behavior measurement of polymer-bonded sugar under shock compression using in-situ time-resolved Raman spectroscopy
Authors: Dhiman Abhijeet , Lewis Nolan S. , Olokun Ayotomi , Dlott Dana D. , Tomar Vikas
Published: February 2022

Quantitative information regarding the local behavior of interfaces in an inhomogeneous material during shock loading is limited due to challenges associated with time and spatial resolution. This paper reports the development of a novel method for in-situ measurement of the thermo-mechanical response of polymer bonded sugar composite where measurements are performed during propagagtion of shock wave in sucrose crystal through polydimethylsiloxane binder. The time-resolved measurements were performed with 5 ns resolution providing an estimation on local pressure, temperature, strain rate, and local shock viscosity. The experiments were performed at two different impact velocities to induce shock pressure of 4.26 GPa and 2.22 GPa and strain rate greater than 106/s. The results show the solid to the liquid phase transition of sucrose under shock compression. The results are discussed with the help of fractography analyses of sucrose crystal in order to obtain insights into the underlying heat generation mechanism.
Detecting major introgressions in wheat and their putative origins using coverage analysis
Authors: Keilwagen Jens , Lehnert Heike , Berner Thomas , Badaeva Ekaterina , Himmelbach Axel , Börner Andreas , Kilian Benjamin
Published: February 2022

Introgressions from crop wild relatives (CWRs) have been used to introduce beneficial traits into cultivated plants. Introgressions have traditionally been detected using cytological methods. Recently, single nucleotide polymorphism (SNP)-based methods have been proposed to detect introgressions in crosses for which both parents are known. However, for unknown material, no method was available to detect introgressions and predict the putative donor species. Here, we present a method to detect introgressions and the putative donor species. We demonstrate the utility of this method using 10 publicly available wheat genome sequences and identify nine major introgressions. We show that the method can distinguish different introgressions at the same locus. We trace introgressions to early wheat cultivars and show that natural introgressions were utilised in early breeding history and still influence elite lines today. Finally, we provide evidence that these introgressions harbour resistance genes.
Automated meta-analysis of the event-related potential (ERP) literature
Authors: Donoghue Thomas , Voytek Bradley
Published: February 2022

Event-related potentials (ERPs) are a common approach for investigating the neural basis of cognition and disease. There exists a vast and growing literature of ERP-related articles, the scale of which motivates the need for efficient and systematic meta-analytic approaches for characterizing this research. Here we present an automated text-mining approach as a form of meta-analysis to examine the relationships between ERP terms, cognitive domains and clinical disorders. We curated dictionaries of terms, collected articles of interest, and measured co-occurrence probabilities in published articles between ERP components and cognitive and disorder terms. Collectively, this literature dataset allows for creating data-driven profiles for each ERP, examining key associations of each component, and comparing the similarity across components, ultimately allowing for characterizing patterns and associations between topics and components. Additionally, by examining large literature collections, novel analyses can be done, such as examining how ERPs of different latencies relate to different cognitive associations. This openly available dataset and project can be used both as a pedagogical tool, and as a method of inquiry into the previously hidden structure of the existing literature. This project also motivates the need for consistency in naming, and for developing a clear ontology of electrophysiological components.
Galectin-3 as a potential prognostic biomarker of severe COVID-19 in SARS-CoV-2 infected patients
Authors: Cervantes-Alvarez Eduardo , la Rosa Nathaly Limon-de , la Mora Moises Salgado-de , Valdez-Sandoval Paola , Palacios-Jimenez Mildred , Rodriguez-Alvarez Fatima , Vera-Maldonado Brenda I. , Aguirre-Aguilar Eduardo , Escobar-Valderrama Juan Manuel , Alanis-Mendizabal Jorge , Méndez-Guerrero Osvely , Tejeda-Dominguez Farid , Torres-Ruíz Jiram , Gómez-Martín Diana , Colborn Kathryn L. , Kershenobich David , Huang Christene A. , Navarro-Alvarez Nalu
Published: February 2022

Severe COVID-19 is associated with a systemic hyperinflammatory response leading to acute respiratory distress syndrome (ARDS), multi-organ failure, and death. Galectin-3 is a ß-galactoside binding lectin known to drive neutrophil infiltration and the release of pro-inflammatory cytokines contributing to airway inflammation. Thus, we aimed to investigate the potential of galectin-3 as a biomarker of severe COVID-19 outcomes. We prospectively included 156 patients with RT-PCR confirmed COVID-19. A severe outcome was defined as the requirement of invasive mechanical ventilation (IMV) and/or in-hospital death. A non-severe outcome was defined as discharge without IMV requirement. We used receiver operating characteristic (ROC) and multivariable logistic regression analysis to determine the prognostic ability of serum galectin-3 for a severe outcome. Galectin-3 levels discriminated well between severe and non-severe outcomes and correlated with markers of COVID-19 severity, (CRP, NLR, D-dimer, and neutrophil count). Using a forward-stepwise logistic regression analysis we identified galectin-3 [odds ratio (OR) 3.68 (95% CI 1.47–9.20),p < 0.01] to be an independent predictor of severe outcome. Furthermore, galectin-3 in combination with CRP, albumin and CT pulmonary affection > 50%, had significantly improved ability to predict severe outcomes [AUC 0.85 (95% CI 0.79–0.91,p < 0.0001)]. Based on the evidence presented here, we recommend clinicians measure galectin-3 levels upon admission to facilitate allocation of appropriate resources in a timely manner to COVID-19 patients at highest risk of severe outcome.
Clinical data classification with noisy intermediate scale quantum computers
Authors: Moradi S. , Brandner C. , Spielvogel C. , Krajnc D. , Hillmich S. , Wille R. , Drexler W. , Papp L.
Published: February 2022

Quantum machine learning has experienced significant progress in both software and hardware development in the recent years and has emerged as an applicable area of near-term quantum computers. In this work, we investigate the feasibility of utilizing quantum machine learning (QML) on real clinical datasets. We propose two QML algorithms for data classification on IBM quantum hardware: a quantum distance classifier (qDS) and a simplified quantum-kernel support vector machine (sqKSVM). We utilize these different methods using the linear time quantum data encoding technique ($${\mathrm{log}}_{2}N$$

log
2

N

) for embedding classical data into quantum states and estimating the inner product on the 15-qubit IBMQ Melbourne quantum computer. We match the predictive performance of our QML approaches with prior QML methods and with their classical counterpart algorithms for three open-access clinical datasets. Our results imply that the qDS in small sample and feature count datasets outperforms kernel-based methods. In contrast, quantum kernel approaches outperform qDS in high sample and feature count datasets. We demonstrate that the $${\mathrm{log}}_{2}N$$

log
2

N

encoding increases predictive performance with up to + 2% area under the receiver operator characteristics curve across all quantum machine learning approaches, thus, making it ideal for machine learning tasks executed in Noisy Intermediate Scale Quantum computers.
Association between blood lead levels and markers of calcium homeostasis: a systematic review and meta-analysis
Authors: Upadhyay Kuldip , Viramgami Ankit , Bagepally Bhavani Shankara , Balachandar Rakesh
Published: February 2022

Chronic Pb exposure associated systemic illness are partly posited to involve calcium homeostasis. Present systematic review aims to comprehensively evaluate the association between chronic lead exposure and markers of calcium homeostasis. Observational studies documenting the changes in calcium homeostasis markers (i.e. serum calcium, parathyroid hormone, vitamin D & calcitonin) between occupationally Pb exposed group and control group were systematically searched from pubmed-Medline, Scopus, and Embase digital databases since inception to September 24, 2021. The protocol was earlier registered at PROSPERO (ID: CRD42020199503) and executed adhering to PRISMA 2020 guidelines. Mean differences of calcium homeostasis markers between the groups were analysed using random-effects model. Conventional I2 statistics was employed to assess heterogeneity, while the risk for various biases were assessed using Newcastle Ottawa Scale. Sub-group, sensitivity and meta-regression analyses were performed where data permitted. Eleven studies including 837 Pb exposed and 739 controls were part of the present study. Pb exposed group exhibited higher mean blood lead level [i.e. 36.13 (with 95% CI 25.88–46.38) µg/dl] significantly lower serum calcium (i.e. − 0.72 mg/dl with 95% CI − 0.36 to − 1.07) and trend of higher parathyroid levels and lower vitamin D levels than controls. Heterogeneity was high (I2 > 90%) among the studies. Considering the cardinal role of calcium in multiple biological functions, present observations emphasis the need for periodic evaluation of calcium levels and its markers among those with known cumulative Pb exposure.
Single-step microwave synthesis of a novel ternary nanocomposite as an efficient luminophore and boron nitride quantum dots as a new coreactant for a cathodic ECL monitoring of chlorpyrifos
Authors: Kamyabi Mohammad Ali , Moharramnezhad Mohsen
Published: February 2022

Microwave synthesis of novel nanocomposite and boron nitride quantum dots as a new coreactant for the cathodic ECL monitoring of chlorpyrifos.
A glucose/O2 biofuel cell integrated with an exonuclease-powered DNA walker for self-powered sensing of microRNA
Authors: Zhao Xiao , Deng Wenfang , Tan Yueming , Xie Qingji
Published: February 2022

Self-powered sensing of microRNA-141 is achieved by integrating an exonuclease-powered DNA walker with a glucose/O2 biofuel cell.
N-Heterocyclic carbene derivatives to modify gold superatom characteristics. Tailorable electronic and optical properties of [Au11(PPh3)7LCl2]+ as a cluster from relativistic DFT
Authors: Muñoz-Castro Alvaro
Published: February 2022

Atomically precise gold superatoms are useful building blocks whose properties can be tuned by the proper choice of ligands in the protecting ligand layer.
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study
Authors: Fedotov Daniil A. , Paul Alexander C. , Koch Henrik , Santoro Fabrizio , Coriani Sonia , Improta Roberto
Published: February 2022

We report a benchmark of excited state absorption of the four DNA bases using ab initio (EOM-CCSD, EOM-CC3) and TD-CAM-B3LYP methods, in the gas phase and in chloroform, a step towards the interpretation of time-resolved absorption spectra in solution.
Molecular dynamics of liquid–liquid equilibrium and interfacial properties of aqueous solutions of methyl esters
Authors: Feria Esther , Algaba Jesús , Míguez José Manuel , Mejía Andrés , Blas Felipe J.
Published: February 2022

Snapshot of the LL interface obtained from MD NPzT simulations of the methyl heptanoate + water mixture at 1 bar and 278 K, with the organic phase on the left side and aqueous phase on the right side.
Boron, silicon, nitrogen and sulfur-based contemporary precursors for the generation of alkyl radicals by single electron transfer and their synthetic utilization
Authors: Corcé Vincent , Ollivier Cyril , Fensterbank Louis
Published: February 2022

Recent developments in the use of boron, silicon, nitrogen and sulfur derivatives in single-electron transfer reactions for the generation of alkyl radicals are described.
Selective hydrogenolysis of 5-hydroxymethylfurfural to 2,5-dimethylfuran over cobalt nanoparticle inlaid cobalt phyllosilicate
Authors: Sun Lixia , Li Shangyang , Gao Zhuoyou , Gao Shutao , Gao Wei , Cheng Xiang , Shang Ningzhao , Gao Yongjun , Wang Chun
Published: February 2022

A metal–acid bifunctional catalyst, cobalt nanoparticle inlaid cobalt phyllosilicate (CoSi-PS), was fabricated. CoSi-PS exhibited excellent catalytic performance for the hydrogenolysis reaction of HMF to produce liquid 2,5-dimethylfuran biofuel.
Preparation and electrochemical performance of nanowire-shaped Na3Mn2−xFex(P2O7)(PO4) for sodium-ion and lithium-ion batteries
Authors: Chen Yihao , Fan Qinghua , Li Jiajie , Chen Ming , Jin Haolin , Wen Ni , Dong Youzhong , Kuang Quan , Zhao Yanming
Published: February 2022

A series of single-phase nanowire-shaped Na3Mn2−xFex(P2O7)(PO4) compounds has been prepared; their electrochemical performance was applied in multiple-ion batteries and their magnetic properties were studied.
Synthesis of azadiphosphiridine complexes. Theoretical studies on ring formation, the P-to-P′ metal shift and the resulting nitrogen geometry
Authors: Schmer Alexander , García Alcaraz Antonio , Kyri Andreas Wolfgang , Schnakenburg Gregor , Espinosa Ferao Arturo , Streubel Rainer
Published: February 2022

Three azadiphosphiridine complexes were selectively synthesized, two of them revealing a W(CO)5 group P-to-P′ haptotropic shift and only one displayed a planar ring N atom. Theoretical studies on ring formation and geometry as well as on the P-to-P′ haptotropic shift are reported.
Gradient fluorinated alloy to enable highly reversible Zn-metal anode chemistry
Authors: Liang Guojin , Zhu Jiaxiong , Yan Boxun , Li Qing , Chen Ao , Chen Ze , Wang Xiaoqi , Xiong Bo , Fan Jun , Xu Jin , Zhi Chunyi
Published: February 2022

Spatial gradient fluorinated alloy (GFA) with ZnF2in the outmost region and CuZn alloy in the inner region that jointly contribute to a highly reversible Zn-metal anode.
Boosting water decomposition by sulfur vacancies for efficient CO2 photoreduction
Authors: Yin Shikang , Zhao Xiaoxue , Jiang Enhui , Yan Yan , Zhou Peng , Huo Pengwei
Published: February 2022

As the rate-determining half reaction (OER) in the overall CO2 photoreduction, the four-electron-involving OER on S-vacancy sites was favored, therefore facilitating the hole-elimination/proton release and unleashing the CO2 reduction half reaction.
Enhancing the bioaccessibility of puerarin through the collaboration of high internal phase Pickering emulsions with β-carotene
Authors: Li Ruren , Yuan Gaibo , Li Denghui , Xu Chen , Du Mingying , Tan Shuyu , Liu Zhifu , He Qing , Rong Liangyan , Li Jianrong
Published: February 2022

This study improved the bioaccessibility of puerarin, a bioactive flavonoid, through incorporating co-encapsulated puerarin and β-carotene into a food-grade high internal-phase Pickering emulsion (HIPPE) system stabilised with meat proteins.
The impact of a novel Chinese yam-derived polysaccharide on blood glucose control in HFD and STZ-induced diabetic C57BL/6 mice
Authors: Feng Xiaojuan , Zhang Qian , Li Jingyao , Bie Nana , Li Chenjing , Lian Rui , Qin Liehao , Feng Yihua , Wang Chunling
Published: February 2022

A Chinese yam polysaccharide possess a triple helix structure and has hypoglycemic activity. The mechanism of regulating blood glucose may be related to the PI3K/Akt signaling pathway in the livers of diabetic mice.
Ecotoxicological risk assessment of organic compounds against various aquatic and terrestrial species: application of interspecies i-QSTTR and species sensitivity distribution techniques
Authors: Khan Kabiruddin , Roy Kunal
Published: February 2022

The current work undertakes species sensitivity distribution (SSD) evaluation of organic chemicals selectively filtered for a unique group of 10 species and a defined duration of exposure, and without merging the predicted data.
Multifunctional metasails for self-stabilized beam-riding and optical communication
Authors: Taghavi Mohammadrasoul , Salary Mohammad Mahdi , Mosallaei Hossein
Published: February 2022

This work proposes a multifunctional lightsail based on interleaving two different dielectric patterns for propulsion and communication, enabling the self-stabilized beam-riding and maximizing the transmission gain of downlink optical communication.
Foldable batteries: from materials to devices
Authors: Jeong Insu , Han Dong-Yeob , Hwang Jongha , Song Woo-Jin , Park Soojin
Published: February 2022

In this review, we summarize the recent progress in developing materials and system designs for foldable batteries.
A physical interpretation of coupling chiral metaatoms
Authors: Cao Zhaolong , Chen Jianfa , Deng Shaozhi , Chen Huanjun
Published: February 2022

The microscopic origins of chiroptical response in metasurfaces are studied based on temporal coupled-mode theory and quasinormal modes. Using a biorthogonal approach, the model identifies a critical coupling condition for unity circular dichroism.
Modulating residual ammonium in MnO2 for high-rate aqueous zinc-ion batteries
Authors: Fu Yancheng , Jia Caoer , Chen Zihan , Zhang Xiaosheng , Liang Shuaijie , Zhai Zhen , Chen Jinzhou , Liu Xuying , Zhang Linlin
Published: February 2022

A high-rate aqueous zinc-ion battery is assembled by β-MnO2 electrode with residual NH4+. The NH4+ could stabilize the chemical structure of the distorted Mn3+O6 by forming Mn–O⋯H bond and serve as a “retractable spring” to avoid tunnel collapse.
A biphenylene nanoribbon-based 3D metallic and ductile carbon allotrope
Authors: Sun Wei , Shen Yiheng , Ni Dongyuan , Wang Qian
Published: February 2022

Assembling two-dimensional (2D) sheets for three-dimensional (3D) functional materials is of current interest.
A new approach towards the Debye length challenge for specific and label-free biological sensing based on field-effect transistors
Authors: Bhattacharyya Ie Mei , Ron Izhar , Chauhan Ankit , Pikhay Evgeny , Greental Doron , Mizrahi Niv , Roizin Yakov , Shalev Gil
Published: February 2022

A Meta-Nano Channel BioFET is demonstrated to decouple the electrostatics of the solution from the electrodynamics of the FET such that the Debye screening length can be electrostatically tuned to enhance the sensor output signal.
A strong hydride donating, acid stable and reusable 1,4-dihydropyridine for selective aldimine and aldehyde reductions
Authors: Hirao Yasukazu , Eto Hajime , Teraoka Mitsuru , Kubo Takashi
Published: February 2022

A new sterically protected 1,4-dihydropyridine is a stable and regeneratable hydride donor in Brønsted and Lewis acid catalyzed reductions of aldimines and aldehydes.
Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals
Authors: Gerthoffer Margaret C. , Xu Bohan , Wu Sikai , Cox Jordan , Huss Steven , Oburn Shalisa M. , Lopez Steven A. , Crespi Vincent H. , Badding John V. , Elacqua Elizabeth
Published: February 2022

The pressure-induced polymerization of aryl/perfluoroaryl co-crystals offers a strategic route to obtain sequence-defined polymeric architectures, such as diamond nanothreads, that feature a stiff sp3 hybridized backbone.
Fluorescent homopolypeptide toroids
Authors: Fan Liujie , Jiang Jinhui , Sun Qingmei , Hong Kai , Cornel Erik Jan , Zhu Yunqing , Du Jianzhong
Published: February 2022

Homopolypeptide poly(γ-benzyl-l-glutamate) can self-assemble into fluorescent toroids following an end-to-end closure mechanism.
Catalytic decomposition of hydroxylamine nitrate and hydrazine nitrate using Ru/ZSM-5 catalyst under mild reaction conditions
Authors: Zhang Zhipeng , Li Baole , Chen Qi , Chen Xiwen , Yan Taihong , Zheng Weifang , Zuo Chen
Published: February 2022

The Ru/ZSM-5 catalyst was shown to be an efficient heterogeneous catalyst for decomposition of hydroxylamine nitrate and hydrazine nitrate. The catalyst could be recovered by filtration and reused, showing good potential for industrial application.
Effect of lattice mismatch on film morphology of the quasi-one dimensional conductor K0.3MoO3
Authors: Cao Yifeng , Russo Nicholas , Gao Lei , Ji Ailing , Doerrer Linda H. , Lu Nianpeng , Smith Kevin E.
Published: February 2022

High quality epitaxial thin films of the quasi-one dimensional conductor K0.3MoO3 have been successfully grown on SrTiO3(100), SrTiO3(110), and SrTiO3(510) substrates via pulsed laser deposition.
Increasing the oxygen-containing functional groups of oxidized multi-walled carbon nanotubes to improve high-rate-partial-state-of-charge performance
Authors: Peng Haining , Dong Li , Gao Shiyuan , Wang Zhenwei
Published: February 2022

Multi-walled carbon nanotubes (MWCNTs) with different oxygen functional groups were prepared from hot nitric acid reflux treatment.
Chitin/egg shell membrane@Fe3O4 nanocomposite hydrogel for efficient removal of Pb2+ from aqueous solution
Authors: Jia Baoquan , Liu Dingna , Niu Chengyu , Yu Qili , Ren Jie , Liu Qingye , Wang Haiqiang
Published: February 2022

A novel kind of chitin/EM@Fe3O4 nanocomposite hydrogel derived from the biowastes of egg shell membrane and chitin was successfully prepared for efficient removal of Pb2+ from wastewater solution.
Origin of the temperature dependence of 13C pNMR shifts for copper paddlewheel MOFs
Authors: Ke Zhipeng , Dawson Daniel M. , Ashbrook Sharon E. , Bühl Michael
Published: February 2022

Thermal averaging over DFT-computed paramagnetic spin states can reproduce observed temperature-dependent shifts in 13C pNMR spectra of MOFs with Cu(ii) paddlewheel dimers.
Experimental investigation of active noise on a rotor in an active granular bath
Authors: Cheng Ke , Liu Peng , Yang Mingcheng , Hou Meiying
Published: February 2022

The spectrum of the noise experienced by a passive rotor immersed in an active granular bath is experimentally investigated, which gives a direct evidence supporting an exponentially-correlated active noise.
Preclinical testing of an anal bulking agent coated with a zwitterionic polymer in a fecal incontinence rat model
Authors: Choi Jung-Woo , Lee Joonbum , Lee Yuseon , Seo Ji-Hun , Hong Kwang Dae
Published: February 2022

The use of zwitterion-coated particulate silicone as a bulking agent for the treatment of fecal incontinence was investigated in a rat model.
MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity
Authors: Doyle Laurence R. , Thompson Emily A. , Burnage Arron L. , Whitwood Adrian C. , Jenkins Huw T. , Macgregor Stuart A. , Weller Andrew S.
Published: February 2022

The thermally and chemically robust σ-alkane complex [Rh(Cy2PCH2CH2PCy2)(norborane)][B(3,5-(SF5)2C6H3)4] is characterized by micro-electron diffraction using on-grid single-crystal to single-crystal reactivity.
Transition-metal-free alkylation strategy: facile access to alkylated oxindoles via alkyl transfer
Authors: Yu Wen-Qin , Fan Jian-Hong , Chen Pu , Xiong Bi-Quan , Xie Jun , Tang Ke-Wen , Liu Yu
Published: February 2022

The efficient transition-metal-free alkylation/cyclization of activated alkenes using Hantzsch ester derivatives as effective alkyl reagents was described.
The first widespread solar energetic particle event of solar cycle 25 on 2020 November 29
Authors: Kouloumvakos A. , Kwon R. Y. , Rodríguez-García L. , Lario D. , Dresing N. , Kilpua E. K. J. , Vainio R. , Török T. , Plotnikov I. , Rouillard A. P. , Downs C. , Linker J. A. , Malandraki O. E. , Pinto R. F. , Riley P. , Allen R. C.
Published: February 2022

Context. On 2020 November 29, an eruptive event occurred in an active region located behind the eastern solar limb as seen from Earth. The event consisted of an M4.4 class flare, a coronal mass ejection, an extreme ultraviolet (EUV) wave, and a white-light (WL) shock wave. The eruption gave rise to the first widespread solar energetic particle (SEP) event of solar cycle 25, which was observed at four widely separated heliospheric locations (∼230°).

Aims. Our aim is to better understand the source of this widespread SEP event, examine the role of the coronal shock wave in the wide distribution of SEPs, and investigate the shock wave properties at the field lines magnetically connected to the spacecraft.

Methods. Using EUV and WL data, we reconstructed the global three-dimensional structure of the shock in the corona and computed its kinematics. We determined the magnetic field configurations in the corona and interplanetary space, inferred the magnetic connectivity of the spacecraft with the shock surface, and derived the evolution of the shock parameters at the connecting field lines.

Results. Remote sensing observations show formation of the coronal shock wave occurring early during the eruption, and its rapid propagation to distant locations. The results of the shock wave modelling show multiple regions where a strong shock has formed and efficient particle acceleration is expected to take place. The pressure/shock wave is magnetically connected to all spacecraft locations before or during the estimated SEP release times. The release of the observed near-relativistic electrons occurs predominantly close to the time when the pressure/shock wave connects to the magnetic field lines or when the shock wave becomes supercritical, whereas the proton release is significantly delayed with respect to the time when the shock wave becomes supercritical, with the only exception being the proton release at the Parker Solar Probe.

Conclusions. Our results suggest that the shock wave plays an important role in the spread of SEPs. Supercritical shock regions are connected to most of the spacecraft. The particle increase at Earth, which is barely connected to the wave, also suggests that the cross-field transport cannot be ignored. The release of energetic electrons seems to occur close to the time when the shock wave connects to, or becomes supercritical at, the field lines connecting to the spacecraft. Energetic protons are released with a time-delay relative to the time when the pressure/shock wave connects to the spacecraft locations. We attribute this delay to the time that it takes for the shock wave to accelerate protons efficiently.
Three-dimensional structure-based approach for the analysis of macroscopic lead structures on sealing counterfaces
Authors: Engelfried Maximilian , Baumann Matthias , Bauer Frank
Published: February 2022

The seal failure of an elastomer rotary shaft seal is often caused due to lead on the shaft counterface. In sealing technology, the term ‘lead’ includes all structures on sealing counterfaces that are capable of transporting fluid in axial direction through the sealing contact and thus disrupting the sealing mechanism. Lead structures are created during the manufacturing process of the shaft surface or throughout the handling. They occur in various shapes and sizes. Depending on the characteristics of the lead structures, several specialized measurement and evaluation methods exist which have to be applied in combination. However, not all types of lead can be covered with the methods known so far. State of the art are frequency-based and model-based analysis methods, which are only able to detect periodic lead structures. Aperiodic and stochastically distributed lead structures cannot be detected due to the functional principle. This article provides an approach for a structure-based evaluation of macroscopic lead structures based on optical topography measurement data. This allows to detect all known types of macroscopic lead on the shaft surface and in future to measure microscopic and macroscopic lead with a single measurement procedure.
Development and testing of flameless burner fed by NG/H2 mix
Authors: Zanusso Umberto , Fabro Jimmy , Luzzo Irene , Cirilli Filippo
Published: February 2022

The reduction of CO2 emissions from combustion equipment is the main solution to reduce the concentration of greenhouse gases in atmosphere and then the development of new combustion systems based on carbon free fuels is a priority for combustion research. Hydrogen is one of the most promising fuels, if produced by renewable sources it can guarantee zero-CO2 emissions, but attention must be paid about NOx emissions, which can increase in case of use of hydrogen. A research activity including CFD analysis and experimental tests allows verifying the proper working of a 2.0 MW industrial flameless burner fed with a gaseous mixture composed by 30% of hydrogen and 70% of methane (volumetric basis). CFD results fully agree with experimental data; the burner can operate with both natural gas or mixture without any modification on the combustion process and NOx emissions. At a furnace temperature 1250 °C, combustion air temperature 520 °C, NOx emissions are below 80 mg/Nm3@3%O2. In case of working with stable and anchored flame NOx emissions increase as expected. The activity result allows individuating flameless combustion as one of the most suitable techniques for the use of hydrogen in iron and steel industry.
Thermodynamics and mechanisms of silver tailings roasting processes
Authors: Chang Jie , Pan Aifang , Ma Yuzhao , Sun Yue , Hu Shentao , Li Kuimeng
Published: February 2022

To separate and extract all the useful components of tailings, taking silver tailings as the object, the thermodynamics of silver tailings during the roasting processes was investigated, and the phases transformation mechanism of major minerals were obtained. Based on the mineralogy characteristics of silver tailings, the standard Gibbs free energy changes for the chemical reactions in the roasting processes were calculated; the thermal chemical behaviors and the mineral phases transformation were investigated using TG/DTG-DSC and XRD; and the microstructure changes with chemical composition of microregions were characterized through SEM-EDS. The thermochemical reaction characteristics for the roasting activation of tailings and sodium carbonate at different temperatures were as follows: at 450–650 °C, the ankerite, siderite and sulfide in tailings were oxidized and decomposed, while the crystal transformation of quartz and chlorite occurred; at 650–750 °C, quartz, muscovite and chlorite decomposed to form soluble sodium silicate, sodium aluminum silicate, diopside, sodium ferrite and copper ferrite etc; at 750–800 °C, due to the increase in products with low melting point, the roasted samples melted. During the roasting processes, the surface of minerals depressed and the structures were destroyed. These results can provide a theoretical foundation for thoroughly resource utilization of tailings.