bluuebunny/crossref_metadata_2025 huggingface dataset:
Highlighting the impact of social relationships on the propagation of respiratory viruses using percolation theory
Authors: Mathiot Jean-François , Gerbaud Laurent , Breton Vincent
Published: December 2021

We develop a site-bond percolation model, called PERCOVID, in order to describe the time evolution of all epidemics propagating through respiratory tract or by skin contacts in human populations. This model is based on a network of social relationships representing interconnected households experiencing governmental non-pharmaceutical interventions. As a very first testing ground, we apply our model to the understanding of the dynamics of the COVID-19 pandemic in France from December 2019 up to December 2021. Our model shows the impact of lockdowns and curfews, as well as the influence of the progressive vaccination campaign in order to keep COVID-19 pandemic under the percolation threshold. We illustrate the role played by social interactions by comparing two typical scenarios with low or high strengths of social relationships as compared to France during the first wave in March 2020. We investigate finally the role played by the α and δ variants in the evolution of the epidemic in France till autumn 2021, paying particular attention to the essential role played by the vaccination. Our model predicts that the rise of the epidemic observed in July and August 2021 would not result in a new major epidemic wave in France.
Morphological features of single cells enable accurate automated classification of cancer from non-cancer cell lines
Authors: Mousavikhamene Zeynab , Sykora Daniel J. , Mrksich Milan , Bagheri Neda
Published: December 2021

Accurate cancer detection and diagnosis is of utmost importance for reliable drug-response prediction. Successful cancer characterization relies on both genetic analysis and histological scans from tumor biopsies. It is known that the cytoskeleton is significantly altered in cancer, as cellular structure dynamically remodels to promote proliferation, migration, and metastasis. We exploited these structural differences with supervised feature extraction methods to introduce an algorithm that could distinguish cancer from non-cancer cells presented in high-resolution, single cell images. In this paper, we successfully identified the features with the most discriminatory power to successfully predict cell type with as few as 100 cells per cell line. This trait overcomes a key barrier of machine learning methodologies: insufficient data. Furthermore, normalizing cell shape via microcontact printing on self-assembled monolayers enabled better discrimination of cell lines with difficult-to-distinguish phenotypes. Classification accuracy remained robust as we tested dissimilar cell lines across various tissue origins, which supports the generalizability of our algorithm.
Believers in pseudoscience present lower evidential criteria
Authors: Rodríguez-Ferreiro Javier , Barberia Itxaso
Published: December 2021

Previous studies have proposed that low evidential criteria or proneness to jump to conclusions influences the formation of paranormal beliefs. We investigated whether the low evidential criteria hypothesis for paranormal beliefs extends to a conceptually distinct type of unwarranted beliefs: those related to pseudoscience. We presented individuals varying in their endorsement of pseudoscientific beliefs with two hypothesis testing tasks. In the beads task, the participants were asked to decide from which of two jars containing different proportions of colored beads they were collecting samples. In the mouse trap task, they were asked to guess which rule determined whether a participant-controlled mouse obtained a piece of cheese or was trapped. In both cases, the volunteers were free to decide when to stop collecting evidence before completing the tasks. Our results indicate that, compared to skeptics, individuals presenting stronger endorsement of pseudoscientific beliefs tend to require less evidence before coming to a conclusion in hypothesis testing situations.
The relationship between objective app engagement and medication adherence in asthma and COPD: a retrospective analysis
Authors: Kaye Leanne , Gondalia Rahul , Thompson Alesha , Stempel David A. , Barrett Meredith A.
Published: December 2021

Digital health tools can promote disease self-management, but the association of smartphone app engagement and medication adherence is unclear. We assessed the relationship between objective smartphone app engagement and controller medication use in adults with asthma and COPD. We retrospectively analyzed data from participants enrolled in a digital self-management platform for asthma and COPD. Eligible adults had a smartphone and a paired electronic medication monitor (EMM). Longitudinal, mixed-effects logistic regressions estimated the relationship between daily app engagement (app opens, session duration) and daily controller medication use. Data from 2309 participants (71% asthma; 29% COPD) was analyzed. Opening the app (vs. not opening the app) was associated with significantly greater odds (OR (95% CI)) of using controller medications in asthma (2.08 (1.98, 2.19)) and COPD (1.61 (1.49, 1.75). Longer session duration was also associated with greater odds of using controller medications in asthma and COPD, but the odds of use attenuated with longer session duration in COPD. This study presents a novel assessment of the relationship between objectively-measured smartphone app engagement and controller medication use in asthma and COPD. Such insights may help develop targeted digital health tools and interventions.
The impact of carbon source on cell growth and the production of bioactive compounds in cell suspensions of Hancornia speciosa Gomes
Authors: Dantas Luciana Arantes , Faria Paula Sperotto Alberto , Dário Bruno Matheus Mendes , Arantes Ana Luíza Martins , Silva Fabiano Guimarães , Avila Roniel Geraldo , Pereira Paulo Sérgio , Neto Aurélio Rubio
Published: December 2021

Belonging to the Brazilian flora, the species Hancornia speciosa (Gomes), known as mangabeira, has bioactive compounds of interest, such as flavonoids, xanthones, and proanthocyanidins. The objective of this study was to determine how the supplementation of sugars in culture medium affects the osmotic potential of the medium, as well as its influence on cell growth and on the concentration of phenolic compounds. For this purpose, after 90 days of subculture, 20 mL aliquots of the cultures were added to flasks containing 20 mL of medium with different sugars (glucose, fructose, sucrose, mannitol, and sorbitol) under a 16-h photoperiod with a spectral range between 400 and 700 nm of photosynthetically active radiation (45–55 μmol m−2 s−1) in a shaker at 110 rpm. After 30 days, the pH, electrical conductivity, osmotic potential, biomass accumulation, and concentrations of phenolic compounds were evaluated. Regardless of their concentration in the medium, the sugars sorbitol and mannitol provided more unfavorable conditions for water absorption at the cellular level, reducing the water potential of the medium. Sucrose favored greater water absorption and biomass accumulation. Among the various sugar concentrations, 3% (30 g/L) sucrose or glucose improved the accumulation of fresh and dry cell weight and the production of polyphenols such as chlorogenic acid, epicatechin, rosmarinic acid, hesperidin, rutin, and quercetin. In addition, they resulted in a higher osmotic potential of the medium and larger cells than other carbon sources. Despite the differences in cell size, no culture conditions compromised cell survival.
Satisfied quantitative value can be acquired by short-time bone SPECT/CT using a whole-body cadmium–zinc–telluride gamma camera
Authors: Yamane Tomohiko , Takahashi Masafumi , Matsusaka Yohji , Fukushima Kenji , Seto Akira , Kuji Ichiei , Matsunari Ichiro
Published: December 2021

The aim of this study was to evaluate the quantitative values of short-time scan (STS) of metastatic lesions compared with a standard scan (SS) when acquired by whole-body bone SPECT/CT with cadmium–zinc–telluride (CZT) detectors. We retrospectively reviewed 13 patients with bone metastases from prostate cancer, who underwent SPECT/CT performed on whole-body CZT gamma cameras. STSs were obtained using 75, 50, 25, 10, and 5% of the list-mode data for SS, respectively. Regions of interest (ROIs) were set on the increased uptake areas diagnosed as metastases. Intraclass correlation coefficients (ICCs) of standardized uptake values (SUVs) for the ROIs were calculated between the SS and each STS, and ICC ≥ 0.8 was set as a perfect correlation. Moreover, the repeatability coefficient (RC) was calculated, and RC ≤ 20% was defined as acceptable. A total of 152 metastatic lesions were included in the analysis. The ICCs between the SS vs. 75%-STS, 50%-STS, 25%-STS, 10%-STS, and 5%-STS were 0.999, 0.997, 0.994, 0.983, and 0.955, respectively. The RCs of the SS vs. 75%-STS, 50%-STS, 25%-STS, 10%-STS, and 5%-STS were 7.9, 12.4, 19.8, 30.8, and 41.3%, respectively. When evaluating the quality of CZT bone SPECT/CT acquired by a standard protocol, 25%-STS may provide adequate quantitative values.
Photoelectroactive artificial synapse and its application to biosignal pattern recognition
Authors: Oh Seyong , Lee Je-Jun , Seo Seunghwan , Yoo Gwangwe , Park Jin-Hong
Published: December 2021

In recent years, optoelectronic artificial synapses have garnered a great deal of research attention owing to their multifunctionality to process optical input signals or to update their weights optically. However, for most optoelectronic synapses, the use of optical stimuli is restricted to an excitatory spike pulse, which majorly limits their application to hardware neural networks. Here, we report a unique weight-update operation in a photoelectroactive synapse; the synaptic weight can be both potentiated and depressed using “optical spikes.” This unique bidirectional operation originates from the ionization and neutralization of inherent defects in hexagonal-boron nitride by co-stimuli consisting of optical and electrical spikes. The proposed synapse device exhibits (i) outstanding analog memory characteristics, such as high accessibility (cycle-to-cycle variation of <1%) and long retention (>21 days), and (ii) excellent synaptic dynamics, such as a high dynamic range (>384) and modest asymmetricity (<3.9). Such remarkable characteristics enable a maximum accuracy of 96.1% to be achieved during the training and inference simulation for human electrocardiogram patterns.
Iron-rich talc as air-stable platform for magnetic two-dimensional materials
Authors: Matković Aleksandar , Ludescher Lukas , Peil Oleg E. , Sharma Apoorva , Gradwohl Kevin-P. , Kratzer Markus , Zimmermann Maik , Genser Jakob , Knez Daniel , Fisslthaler Evelin , Gammer Christoph , Lugstein Alois , Bakker Ronald J. , Romaner Lorenz , Zahn Dietrich R. T. , Hofer Ferdinand , Salvan Georgeta , Raith Johann G. , Teichert Christian
Published: December 2021

Intrinsically magnetic layered materials – especially monolayers – suffer from the lack of ambient stability and mostly exhibit magnetic ordering only at cryogenic temperatures. These restrains impose a great challenge for the integration of two-dimensional magnetic materials into future technologies. We propose to overcome this by exploiting phyllosilicates, such as iron-rich talc. Via combined magnetic force microscopy in applied external magnetic fields, superconducting quantum interference device magnetometry, first-principle calculations, and structural analysis, we demonstrate that incorporated iron ions in talc are in a very robust high spin state, resulting in a weak ferromagnetic behavior at room temperature. Iron-rich talc can be thinned down to a monolayer, remaining fully stable under ambient conditions, and retaining magnetic properties even in monolayers. Finally, we propose iron-rich end members of the phyllosilicates as very promising platforms for air-stable magnetic monolayers.
Predicting changes in glycemic control among adults with prediabetes from activity patterns collected by wearable devices
Authors: Patel Mitesh S. , Polsky Daniel , Small Dylan S. , Park Sae-Hwan , Evans Chalanda N. , Harrington Tory , Djaraher Rachel , Changolkar Sujatha , Snider Christopher K. , Volpp Kevin G.
Published: December 2021

The use of wearables is increasing and data from these devices could improve the prediction of changes in glycemic control. We conducted a randomized trial with adults with prediabetes who were given either a waist-worn or wrist-worn wearable to track activity patterns. We collected baseline information on demographics, medical history, and laboratory testing. We tested three models that predicted changes in hemoglobin A1c that were continuous, improved glycemic control by 5% or worsened glycemic control by 5%. Consistently in all three models, prediction improved when (a) machine learning was used vs. traditional regression, with ensemble methods performing the best; (b) baseline information with wearable data was used vs. baseline information alone; and (c) wrist-worn wearables were used vs. waist-worn wearables. These findings indicate that models can accurately identify changes in glycemic control among prediabetic adults, and this could be used to better allocate resources and target interventions to prevent progression to diabetes.
Rats exhibit age-related mosaic loss of chromosome Y
Authors: Orta Alberto H. , Bush Stephen J. , Gutiérrez-Mariscal Mariana , Castro-Obregón Susana , Jaimes-Hoy Lorraine , Grande Ricardo , Vázquez Gloria , Gorostieta-Salas Elisa , Martínez-Pacheco Mónica , Díaz-Barba Karina , Cornejo-Páramo Paola , Sanchez-Flores Alejandro , Székely Tamas , Urrutia Araxi O. , Cortez Diego
Published: December 2021

Mosaic loss of the Y chromosome (LOY) is the most frequent chromosomal aberration in aging men and is strongly correlated with mortality and disease. To date, studies of LOY have only been performed in humans, and so it is unclear whether LOY is a natural consequence of our relatively long lifespan or due to exposure to human-specific external stressors. Here, we explored whether LOY could be detected in rats. We applied a locus-specific PCR and target sequencing approach that we used as a proxy to estimate LOY in 339 samples covering eleven tissues from young and old individuals. We detected LOY in four tissues of older rats. To confirm the results from the PCR screening, we re-sequenced 60 full genomes from old rats, which revealed that the Y chromosome is the sole chromosome with low copy numbers. Finally, our results suggest that LOY is associated with other structural aberrations on the Y chromosome and possibly linked to the mosaic loss of the X chromosome. This is the first report, to our knowledge, demonstrating that the patterns of LOY observed in aging men are also present in a rodent, and conclude that LOY may be a natural process in placental mammals.
Cryptogamic organisms are a substantial source and sink for volatile organic compounds in the Amazon region
Authors: Edtbauer Achim , Pfannerstill Eva Y. , Pires Florentino Ana Paula , Barbosa Cybelli G. G. , Rodriguez-Caballero Emilio , Zannoni Nora , Alves Rodrigo P. , Wolff Stefan , Tsokankunku Anywhere , Aptroot André , de Oliveira Sá Marta , de Araújo Alessandro C. , Sörgel Matthias , de Oliveira Sylvia Mota , Weber Bettina , Williams Jonathan
Published: December 2021

Cryptogamic organisms such as bryophytes and lichens cover most surfaces within tropical forests, yet their impact on the emission of biogenic volatile organic compounds is unknown. These compounds can strongly influence atmospheric oxidant levels as well as secondary organic aerosol concentrations, and forest canopy leaves have been considered the dominant source of these emissions. Here we present cuvette flux measurements, made in the Amazon rainforest between 2016–2018, and show that common bryophytes emit large quantities of highly reactive sesquiterpenoids and that widespread lichens strongly uptake atmospheric oxidation products. A spatial upscaling approach revealed that cryptogamic organisms emit sesquiterpenoids in quantities comparable to current canopy attributed estimates, and take up atmospheric oxidation products at rates comparable to hydroxyl radical chemistry. We conclude that cryptogamic organisms play an important and hitherto overlooked role in atmospheric chemistry above and within tropical rainforests.
Portable immunosensor directly and rapidly detects Mycobacterium tuberculosis in sputum
Authors: Ma Jinbiao , Jiang Guanyu , Ma Qingqing , Du Manman , Wang Hao , Wu Jianguo , Wang Can , Xie Xinwu , Li Tie , Chen Shixing , Zhang Lixia , Wu Min
Published: December 2021

The immunosensor can complete the sputum detection directly within a few minutes, which greatly shortens the diagnosis time of TB.
Silver oxide(i) promoted Conia-ene/radical cyclization for a straightforward access to furan derivatives
Authors: Yu Bao , Mohamed Selkti , Ardisson Janick , Lannou Marie-Isabelle , Sorin Geoffroy
Published: December 2021

A novel access to fused furan cores using silver oxide(i) has been developed.
Correction: Cobalt-catalyzed alkyne hydrosilylation as a new frontier to selectively access silyl-hydrocarbons
Authors: Park Jung-Woo
Published: December 2021

Correction for ‘Cobalt-catalyzed alkyne hydrosilylation as a new frontier to selectively access silyl-hydrocarbons’ by Jung-Woo Park et al., Chem. Commun., 2022, DOI: 10.1039/d1cc06214j.
Highly selective Suzuki reaction catalysed by a molecular Pd–P-MOF catalyst under mild conditions: role of ligands and palladium speciation
Authors: Cartagenova Daniele , Bachmann Stephan , Püntener Kurt , Scalone Michelangelo , Newton Mark A. , Peixoto Esteves Fabio A. , Rohrbach Thomas , Zimmermann Patrik P. , van Bokhoven Jeroen A. , Ranocchiari Marco
Published: December 2021

A phosphine-functionalized MOF was used to prepare molecularly-defined palladium catalysts, active for Suzuki coupling in mild conditions. Their selectivity was correlated with the nature of the catalytic active site via XAS and NMR.
ZnO hollow pitchfork: coupled photo-piezocatalytic mechanism for antibiotic and pesticide elimination
Authors: Sharma Aditi , Bhardwaj Upasana , Kushwaha H. S.
Published: December 2021

A hollow ZnO pitchfork was synthesized via a hydrothermal technique for the pollutant degradation.
A Nd6 molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabrication
Authors: Das Krishna Sundar , Saha Sayan , Pal Baishakhi , Adhikary Amit , Moorthy Shruti , Bala Sukhen , Akhtar Sohel , Ghose Pradeepta Kumar , Singh Saurabh Kumar , Ray Partha Pratim , Mondal Raju
Published: December 2021

We report herein an aesthetically pleasing hexanuclear Nd6 molecular butterfly using a rather nonconventional N-rich pyridyl-pyrazolyl based ligand and their concomitant SMM and MCE properties along with elusive electronic properties.
Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes
Authors: Nag Ekta , Kulkarni Aditya , Gorantla Sai Manoj N. V. T. , Graw Nico , Francis Maria , Herbst-Irmer Regine , Stalke Dietmar , Roesky Herbert W. , Mondal Kartik Chandra , Roy Sudipta
Published: December 2021

Fluorescent diarylchlorostibane, distibane are utilized as precursors for syntheses of redox-active dimeric/trimeric alkali-metal antimonides by reductive dehalogenation. DFT and EDA-NOCV analysis are performed to shed light on the electron transfer mechanism.
Reply to the ‘Comment on “In Defence of Oxidation States”’ by J. C. Green, Dalton Transactions, 2022, 51, DOI: 10.1039/D1DT02930D
Authors: Norman Nicholas C. , Pringle Paul G.
Published: December 2021

A Reply to the comment by J. C. Green on our article “In Defence of Oxidation states”.
Resolving local reaction environment toward an optimized CO2-to-CO conversion performance
Authors: Ye Ke , Zhang Guiru , Ma Xian-Yin , Deng Chengwei , Huang Xin , Yuan Chonghao , Meng Guang , Cai Wen-Bin , Jiang Kun
Published: December 2021

Operando differential electrochemical mass spectroscopy investigation reveals the critical microenvironment of electrode surface topology, interfacial electric field and reactant concentration in determining CO2 electrolysis performance.
Seabuckthorn polysaccharide ameliorates high-fat diet-induced obesity by gut microbiota-SCFAs-liver axis
Authors: Lan Ying , Sun Qingyang , Ma Zhiyuan , Peng Jing , Zhang Mengqi , Wang Chi , Zhang Xiaotian , Yan Xianfang , Chang Lili , Hou Xinglin , Qiao Ruixue , Mulati Aiziguli , Zhou Yuan , Zhang Qiang , Liu Zhigang , Liu Xuebo
Published: December 2021

In high-fat diet-induced obesity mice, dietary supplement of SP could affect the structure of gut microbiota, increase the production of SCFAs, inhibit the hepatic lipid synthesis, and promote the hepatic lipid oxidative decomposition and hydrolysis.
Atomistic insights of a chemical complexity effect on the irradiation resistance of high entropy alloys
Authors: Qian Lingyun , Bao Honggang , Li Rui , Peng Qing
Published: December 2021

The defects in different materials after bombardment.
Antibacterial activities of plant-derived xanthones
Authors: Liu Xiaojia , Shen Jianzhong , Zhu Kui
Published: December 2021

This review outlines the structures, drug-likeness evaluations and antibacterial activities of plant-derived xanthones. It reveals that natural products isolated from plants may be promising antibacterial candidates.
Quantum design of transition metals decorated on boron phosphide inorganic nanocluster for Favipiravir adsorption: a possible treatment for COVID-19
Authors: Janjua Muhammad Ramzan Saeed Ashraf
Published: December 2021

Herein, a quantum drug delivery design of transition metals decorated on boron phosphide (B12P12) inorganic nanocage for favipiravir adsorption has been presented. Thus, these systems may facilitate us as COVID-19 therapy.
Catalytic performance and industrial test of HY zeolite for alkylation of naphthalene and α-tetradecene
Authors: Wang Mengke , Kuai Leiting , Shi Li , Meng Xuan , Liu Naiwang
Published: December 2021

The service life of HY zeolite is 480 h under industrial conditions, and it can be regenerated by roasting.
Ultralow Ru-incorporated MoS2 nanosheet arrays for efficient electrocatalytic hydrogen evolution in dual-pH
Authors: Cui Hao , Dong Rui , Zhao Jinchan , Tan Pengfei , Xie Jianping , Pan Jun
Published: December 2021

Ru-MoS2/CC nanosheet arrays were prepared for efficient electrocatalytic hydrogen evolution reaction at dual-pH.
Enantioselective catalytic Povarov reactions
Authors: Clerigué José , Ramos M. Teresa , Menéndez J. Carlos
Published: December 2021

Catalytic asymmetric Povarov reactions are reviewed, with emphasis on the use of chiral Lewis and Brønsted acids, H-bond forming catalysts and aminocatalysis. Enantioselective nitroso Povarov and interrupted Povarov reactions are also discussed.
Progress on chemical modification of cellulose in “green” solvents
Authors: Ge Wenjiao , Shuai Jianbo , Wang Yuyuan , Zhou Yuxi , Wang Xiaohui
Published: December 2021

Chemical modification of cellulose in "green" solvents.
Amphipathic engineering of magnetic composites reinforced with ion-copolymer-activated protein-bioconjugate functionalized surface
Authors: Guo Zhiyong , Huang Guobin , Zhang Chen , Yao Qiuhong , Ye Tingxiu , Zhang Li , Chen Xi
Published: December 2021

Structurally stable, multifunctional ion-copolymer composites with enhanced ionic, hydrophilic and hydrophobic properties are developed utilizing multimodal materials.
Co2O3/Co2N0.67 nanoparticles encased in honeycomb-like N, P, O-codoped carbon framework derived from corncob as efficient ORR electrocatalysts
Authors: Wu Yanling , Hou Qinggao , Qiu Fangyuan , Qi Meili , Sun Cuicui , Chen Yanli
Published: December 2021

We develop a honey-comb-like N, P-codoped carbon framework derived from corncob as efficient ORR electrocatalysts.
Intriguing electronic, optical and photocatalytic performance of BSe, M2CO2monolayers and BSe–M2CO2(M = Ti, Zr, Hf) van der Waals heterostructures
Authors: Munawar M. , Idrees M. , Ahmad Iftikhar , Din H. U. , Amin B.
Published: December 2021

Using density functional theory calculations, we have investigated the electronic band structure, optical and photocatalytic response of BSe, M2CO2(M = Ti, Zr, Hf) monolayers and their corresponding BSe–M2CO2(M = Ti, Zr, Hf) van der Waals heterostructures.
Li@C60 thin films: characterization and nonlinear optical properties
Authors: Wolf Mathias , Toyouchi Shuichi , Walke Peter , Umemoto Kazuki , Masuhara Akito , Fukumura Hiroshi , Takano Yuta , Yamada Michio , Hirai Kenji , Fron Eduard , Uji-i Hiroshi
Published: December 2021

A facile way is shown to obtain thin films of Li@C60 as well as their characterization and nonlinear optical properties. Our results suggest Li@C60 to be a suitable candidate for high-harmonic generation.
Effect of ethylenediamine on CMP performance of ruthenium in H2O2-based slurries
Authors: Xu Yi , Ma Tengda , Liu Yuling , Tan Baimei , Zhang Shihao , Wang Yazhen , Song Guoqiang
Published: December 2021

In the ruthenium CMP process, the removal rate of ruthenium can be effectively improved by adding EDA and H2O2into SiO2-based slurries.
Ring-opening fluorination of bicyclic azaarenes
Authors: Komatsuda Masaaki , Suto Ayane , Kondo Hiroki , Takada Hiroyuki , Kato Kenta , Saito Bunnai , Yamaguchi Junichiro
Published: December 2021

A ring-opening fluorination of bicyclic azaarenes was developed. Although this overall transformation can be classified as an electrophilic fluorination of aromatics, it is a novel type of fluorination that results in construction of tert-C–F bonds.
Boundaries of charge–discharge curves of batteries
Authors: Haghipour Amir , Tahertalari Maryam , Kalantarian Mohammad Mahdi
Published: December 2021

This pioneer study is about two key topics: (i) the boundaries (beginning and end) of charge–discharge curves, and (ii) providing one comprehensive mathematical relationship for all kinds of rechargeable (intercalation/conversion) battery.
Effect of simultaneous use of microwave and ultrasound irradiation on the sulfuric acid hydrolysis lignin (SAHL) depolymerization
Authors: Rana Masud , Nshizirungu Theoneste , Park Jeong-Hun
Published: December 2021

Individual and combined effects of microwave (MW) and ultrasound (US) irradiations on the depolymerization of sulfuric acid hydrolysis lignin (SAHL) were investigated in a hybrid microwave–ultrasound chemical reactor.
Robust molecular-dipole-induced surface functionalization of inorganic perovskites for efficient solar cells
Authors: Qiu Junming , Zhou Qisen , Jia Donglin , Wang Yunfei , Li Shuang , Zhang Xiaoliang
Published: December 2021

The derivatives of cinnamic acids are applied for the surface functionalization of inorganic perovskites for efficient and stable perovskite solar cells.
Inverse photoconductivity effect in triple cation organic–inorganic hybrid perovskite memristors with various iodine concentrations, electrodes, and modified layers
Authors: Wang Yucheng , Xiong Yuxuan , Sha Jian , Guo Jiyang , Wang Hongsu , Qiang Ziqing , Shang Yueyang , Jia Renxu , Sun Kai , Huang Fobao , Gan Xuetao , Wang Shaoxi
Published: December 2021

A novel inverse photoconductivity horizon in perovskite photo-memristor applications with various iodine concentrations, electrodes, and modified layers.
Possible hadronic origin of TeV photon emission from SNR G106.3+2.7
Authors: Yang Chuyuan , Zeng Houdun , Bao Biwen , Zhang Li
Published: December 2021

Context. Recently, HAWC, ASγ, and LHAASO experiments have reported the gamma-ray spectrum of supernova remnant (SNR) G106.3+2.7 above 40 TeV, indicating that SNR G106.3+2.7 is a promising PeVatron candidate. However, the origin of the gamma-ray spectrum is still debated. Thus, a dedicated theoretical model with self-consistent descriptions is required to decipher the properties of the gamma-ray spectrum for this specific source.

Aims. We construct a theoretical model to explain the multiband photon emission from the PeVatron SNR G106.3+2.7.

Methods. In our model, the acceleration and propagation of particles from the Bohm-like diffusion region inside the SNR to the Galactic diffusion region outside the SNR are described through nonlinear diffusive shock acceleration (NLDSA). The main content of our NLDSA model is solving the hydrodynamic equations numerically for gas density, gas velocity, and gas pressure and the equation for the quasi-isotropic particle momentum distribution. The consequent multiband nonthermal emission stems from two different regions, namely the acceleration region and the escaping region.

Results. Our model is capable of explaining the multiband photon emission via the dominant synchrotron radiation of the electrons accelerated inside the SNR. The photons with energy of ≳GeV are naturally produced by the protons inside and outside the SNR. Moreover, photons in the energy range of ~1−~ 100 TeV are due to the interaction of escaped protons with dense molecular clouds.

Conclusions. For photons with energy Eγ ≳ 1 GeV from SNR G106.3+2.7, our results here favor a hadronic origin, where the photons in the energy range of ~1G eV to ~1 TeV are produced inside the SNR through proton-proton interaction, while photons with Eγ ≳ 1 TeV originate from the interaction of escaped protons with a dense molecular cloud.
The extended atmosphere and circumstellar environment of the cool evolved star VX Sagittarii as seen by MATISSE
Authors: Chiavassa A. , Kravchenko K. , Montargès M. , Millour F. , Matter A. , Freytag B. , Wittkowski M. , Hocdé V. , Cruzalèbes P. , Allouche F. , Lopez B. , Lagarde S. , Petrov R. G. , Meilland A. , Robbe-Dubois S. , Hofmann K.-H. , Weigelt G. , Berio P. , Bendjoya P. , Bettonvil F. , Domiciano de Souza A. , Heininger M. , Henning Th. , Isbell J. W. , Jaffe W. , Labadie L. , Lehmitz M. , Meisenheimer K. , Soulain A. , Varga J. , Augereau J.-C. , van Boekel R. , Burtscher L. , Danchi W. C. , Dominik C. , Drevon J. , Gámez Rosas V. , Hogerheijde M. R. , Hron J. , Klarmann L. , Kokoulina E. , Lagadec E. , Leftley J. , Mosoni L. , Nardetto N. , Paladini C. , Pantin E. , Schertl D. , Stee P. , Szabados L. , Waters R. , Wolf S. , Yoffe G.
Published: December 2021

Context. VX Sgr is a cool, evolved, and luminous red star whose stellar parameters are difficult to determine, which affects its classification.

Aims. We aim to spatially resolve the photospheric extent as well as the circumstellar environment.

Methods. We used interferometric observations obtained with the MATISSE instrument in the L (3–4 μm), M (4.5–5 μm), and N (8–13 μm) bands. We reconstructed monochromatic images using the MIRA software. We used 3D radiation-hydrodynamics simulations carried out with CO5BOLD and a uniform disc model to estimate the apparent diameter and interpret the stellar surface structures. Moreover, we employed the radiative transfer codes OPTIM3D and RADMC3D to compute the spectral energy distribution for the L, M, and N bands, respectively.

Results. MATISSE observations unveil, for the first time, the morphology of VX Sgr across the L, M, and N bands. The reconstructed images show a complex morphology with brighter areas whose characteristics depend on the wavelength probed. We measured the angular diameter as a function of the wavelength and showed that the photospheric extent in the L and M bands depends on the opacity through the atmosphere. In addition to this, we also concluded that the observed photospheric inhomogeneities can be interpreted as convection-related surface structures. The comparison in the N band yielded a qualitative agreement between the N-band spectrum and simple dust radiative transfer simulations. However, it is not possible to firmly conclude on the interpretation of the current data because of the difficulty in constraing the model parameters using the limited accuracy of our absolute flux calibration.

Conclusions. MATISSE observations and the derived reconstructed images unveil the appearance of VX Sgr’s stellar surface and circumstellar environment across a very large spectral domain for the first time.
Increased Risk for Maternal Anxiety during the COVID-19 Outbreak in Brazil among Pregnant Women without Comorbidities
Authors: Nomura Roseli Mieko Yamamoto , Ubinha Ana Carla Franco , Tavares Isabela de Paula , Costa Maria Laura , Opperman Maria Lucia da Rocha , Brock Marianna Facchinetti , Trapani Alberto , Damásio Lia Cruz Vaz da Costa , Reis Nadia Stella Viegas , Borges Vera Therezinha Medeiros , Zaconeta Alberto Carlos Moreno , Araujo Ana Cristina Pinheiro Fernandes de , Ruano Rodrigo
Published: December 2021

Objective To study maternal anxiety in pregnant women without comorbidities in the context of the COVID-19 outbreak in Brazil and to study maternal knowledge and concerns about the pandemic.

Methods This is a secondary analysis from a national multicenter cross-sectional study performed in 10 cities, from June to August, 2020, in Brazil. Interviewed postpartum women, without medical or obstetrical comorbidities, were included in the present subanalysis. A structured questionnaire and the Beck Anxiety Inventory (BAI) were applied.

Results Out of the 1,662 women, 763 (45.9%) met the criteria for the current analysis and 16.1% presented with moderate and 11.5% with severe maternal anxiety. Moderate or severe maternal anxiety was associated with high school education (odds ratio [OR]:1.58; 95% confidence interval [CI]:1.04–2.40). The protective factor was cohabiting with a partner (OR: 0.46; 95%CI: 0.29–0.73). There was a positive correlation between the total BAI score and receiving information about care in the pandemic (rpartial 0.15; p < 0.001); concern about vertical transmission of COVID-19 (rpartial 0.10; p = 0.01); receiving information about breastfeeding (rpartial 0.08; p = 0.03); concerns about prenatal care (rpartial 0.10; p = 0.01), and concerns about the baby contracting COVID-19 (rpartial 0.11; p = 0.004). The correlation was negative in the following aspects: self-confidence in protecting from COVID-19 (rpartial 0.08; p = 0.04), having learned (rpartial 0.09; p = 0.01) and self-confidence in breastfeeding (rpartial 0.22; p < 0.001) in the context of the pandemic.

Conclusion The anxiety of pregnant women without medical or obstetrical comorbidities was associated to high school educational level and not living with a partner during the COVID-19 pandemic. Self-confidence in protecting against COVID-19 and knowledge about breastfeeding care during the pandemic reduced maternal anxiety.
Probing long-range current-carrying edge modes by two quantum point contacts
Authors: Belogolovskii M. , Zhitlukhina E. , Seidel P.
Published: December 2021

The origin of anomalous current-carrying edge states in quasi-two-dimensional quantum samples with an insulating interior is currently mysterious. We propose to address this issue using a hybrid setup, an interferometric phase-sensitive configuration of two independent scanning probe tips, normal and superconducting, able to realize the quantum interference effect of quasiparticle currents moving in different directions along the metallic-like one-dimensional near-boundary channels. To simulate the dissipationless edge currents, we consider a quantum material with a simple Corbino disk geometry and analyze how the differential conductance spectrum depends on the distance between the two tips, the applied voltage bias, and the presence of a magnetic field. An essential difference between classical and quantum expectations should clarify the enigmatic origin of the long-range conducting modes observed in different materials at low temperatures. Strong dependence on the applied magnetic field can be useful for practical implementation of the quantum effects associated with the phase difference of electron wave functions in the ring geometry.
Desorption of excited H* atoms from free clusters Ar/CH4 and solid Ar doped with CH4
Authors: Doronin Yu. S. , Vakula V. L. , Kamarchuk G. V. , Tkachenko A. A. , Khyzhniy I. V. , Uyutnov S. A. , Bludov M. A. , Savchenko E. V.
Published: December 2021

Desorption of excited hydrogen atoms was detected from both solid Ar doped with CH4 and free nanoclusters Ar/CH4 at irradiation with an electron beam. It was monitored by an emission of the Lyman-a line. Measurements of cathodoluminescence (CL) spectra in the VUV range were performed within the CH4 concentration limits 0.1–10% in the solid matrix. The CL of free clusters with an average size of 1200 atoms per cluster was detected from pure Ar cluster jet and from Ar clusters doped with 0.1% CH4. The mechanisms of desorption of electronically excited H* atoms from solids and clusters are proposed on the basis of an analysis of energy transfer pathways with the final stage of relaxation — population of the n = 3 state of hydrogen atoms.
Cryogen-free scanning gate microscope for the characterization of Si/Si0.7Ge0.3 quantum devices at milli-Kelvin temperatures
Authors: Oh Seong Woo , Denisov Artem O. , Chen Pengcheng , Petta Jason R.
Published: December 2021

Silicon can be isotopically enriched, allowing for the fabrication of highly coherent semiconductor spin qubits. However, the conduction band of bulk Si exhibits a six-fold valley degeneracy which may adversely impact the performance of silicon quantum devices. To date, the spatial characterization of valley states in Si has remained limited. Moreover, techniques for probing valley states in functional electronic devices are needed. Here, we describe a cryogen-free scanning gate microscope for the characterization of Si/Si0.7Ge0.3 quantum devices at mK temperatures. The newly built instrument is the first cryogen-free scanning gate microscope capable of forming and measuring a quantum dot on a Si/SiGe device with an overlapping gate structure without compromising the ability to host multiple DC and microwave lines for quantum control experiments. The microscope is based on the Pan-walker design, with coarse positioning piezostacks and a fine scanning piezotube. A tungsten microscope tip is attached to a tuning fork for active control of the tip-to-sample distance. To reduce vibration noise from the pulse tube cooler, we utilize both active and passive vibration isolation mechanisms and achieve a root-mean-square noise in z of ∼2 nm. Our microscope is designed to characterize fully functioning Si/Si0.7Ge0.3 quantum devices. As a proof of concept, we use the microscope to manipulate the charge occupation of a Si quantum dot, opening up a range of possibilities for the exploration of quantum devices and materials.
Design of an insertable cone-shaped gradient coil matrix for head imaging with a volumetric finite-difference method
Authors: Kang Liyi , Tang Fangfang , Xia Ling , Liu Feng
Published: December 2021

Matrix gradient coils have received increasing interest in generating arbitrary-shaped magnetic fields for various magnetic resonance imaging applications. In this paper, a novel cone-shaped matrix gradient coil is proposed to design a multifunctional insertable system for head imaging. Using a volumetric finite-difference-based method, the matrix coil is designed to have comprised several coil elements that can implement localized imaging and control eddy current, dissipated power, and minimum wire gap. With the lowest total dissipated power, various current configurations are selected to generate multiple gradient fields within a large, spheroidal region of interest (ROI) and two small spherical sub-ROIs. The numerical computation results show that the designed matrix coil offers high flexibility in generating a local gradient field capable of improving the local resolution. In addition, with enhanced coil performance, the cone-shaped structure provides a patient-friendly solution for head imaging.
Numerical investigation of droplets in a cross-ventilated space with sitting passengers under asymptomatic virus transmission conditions
Authors: Peña-Monferrer C. , Antao S. , Manson-Sawko R.
Published: December 2021

Asymptomatic virus transmission in public transportation is a complex process that is difficult to analyze computationally and experimentally. We present a high-resolution computational study for investigating droplet dynamics under a speech-like exhalation mode. A large eddy simulation coupled with Lagrangian tracking of drops was used to model a rectangular space with sitting thermal bodies and cross-ventilated with a multislot diffuser. Release of drops from different seat positions was evaluated to analyze the decontamination performance of the ventilation system. The results showed an overall good performance, with an average of 24.1% of droplets removed through the exhaust in the first 40 s. The droplets' distribution revealed that higher concentrations were less prevalent along the center of the domain where the passengers sit. Longitudinal contamination between rows was noted, which is a negative aspect for containing the risk of infection in a given row but has the benefit of diluting the concentration of infectious droplets. Droplets from the window seat raised more vertically and invaded the space of other passengers to a lesser extent. In contrast, droplets released from the middle seat contaminated more the aisle passenger's space, indicating that downward flow from personal ventilation could move down droplets to its breathing region. Droplets released from the aisle were dragged down by the ventilation system immediately. The distance of drops to the mouth of the passengers showed that the majority passed at a relatively safe distance. However, a few of them passed at a close distance of the order of magnitude of 1 cm.
Analysis of periodic synthetic turbulence generation and development for direct numerical simulations applications
Authors: Martinez-Sanchis Daniel , Sternin Andrej , Sternin Daniel , Haidn Oskar , Tajmar Martin
Published: December 2021

The generation of periodic synthetic turbulence through superposition of Fourier modes is investigated. The introduction of directional biases and mismatches in the second-order statistics associated with the enforcement of periodicity is analyzed and quantified. Two strategies for mitigation of these disparities are proposed. The suggested approaches are subsequently validated and compared with the original methodologies using direct numerical simulations. The proposed strategies are capable of neutralizing the disparities in the second-order statistics at the injection region. The development from synthetic to realistic turbulence is evaluated through the resulting flow statistics and spectral analysis. It is found that higher-order statistics and other indicators converge to the expected results with sufficient length.
Temperature-dependent excited state lifetimes of nitrogen vacancy centers in individual nanodiamonds
Authors: Bommidi Dinesh K. , Pickel Andrea D.
Published: December 2021

Nitrogen vacancy (NV) centers are fluorescent defects widely employed for thermometry, most commonly via temperature-dependent shifts of their optically detected magnetic resonance. Recently, all-optical approaches based on temperature-dependent features of the NV center fluorescence spectrum have also gained traction. Excited state lifetime thermometry is an all-optical technique that has been implemented using other fluorophores but has not previously been demonstrated for NV centers in individual nanodiamonds (NDs). Here, we report temperature-dependent excited state lifetime measurements of NV centers in individual NDs between 300 K and 500 K. We measure a 32 ± 7.0% and 35 ± 8.3% average decrease in the excited state lifetimes of individual NDs on silicon and glass substrates, respectively, over this temperature range. A linear approximation applicable to nearly all measured NDs yields temperature coefficients of −2000 ± 240 ppm/K and −2600 ± 280 ppm/K for NDs on silicon and glass, respectively. In addition to all-optical operation, single-ND excited state lifetime thermometry offers ∼100 ns temporal resolution and utilizes time-correlated single photon counting measurements ideally suited to low emission intensities, a limiting factor for other NV center thermometry techniques above 700 K. We demonstrate that atomic force microscope nanomanipulation can position individual NDs at critical locations on a sample of interest, enabling single-point temperature measurements that combine ∼100 ns temporal resolution and ∼100 nm spatial resolution. This work also has broader implications for other single-ND excited state lifetime sensing applications, where care is required to avoid conflating changes in temperature and other environmental parameters.
Ag nanoplatelets as efficient photosensitizers for TiO2 nanorods
Authors: Fang Hui , Wilhelm Michael J. , Ma Jianqiang , Rao Yi , Kuhn Danielle L. , Zander Zachary , DeLacy Brendan G. , Dai Hai-Lung
Published: December 2021

The lifetime for injecting hot electrons generated in Ag nanoplatelets to nearby TiO2 nanorods was measured with ultrafast transient IR absorption to be 13.1 ± 1.5 fs, which is comparable to values previously reported for much smaller spherical Ag nanoparticles. Although it was shown that the injection rate decreases as the particle size increases, this observation can be explained by the facts that (1) the platelet has a much larger surface to bulk ratio and (2) the platelet affords a much larger surface area for direct contact with the semiconductor. These two factors facilitate strong Ag–TiO2 coupling (as indicated by the observed broadened surface plasmon resonance band of Ag) and can explain why Ag nanoplatelets have been found to be more efficient than much smaller Ag nanoparticles as photosensitizers for photocatalytic functions. The fast injection rate, together with a stronger optical absorption in comparison with Au and dye molecules, make Ag nanoplatelets a preferred photosensitizer for wide bandgap semiconductors.