bluuebunny/crossref_metadata_2025 huggingface dataset:
SMAD4 mutations do not preclude epithelial–mesenchymal transition in colorectal cancer
Authors: Frey Patrick , Devisme Antoine , Rose Katja , Schrempp Monika , Freihen Vivien , Andrieux Geoffroy , Boerries Melanie , Hecht Andreas
Published: December 2021

Transforming growth factor beta (TGFβ) superfamily signaling is a prime inducer of epithelial-mesenchymal transitions (EMT) that foster cancer cell invasion and metastasis, a major cause of cancer-related deaths. Yet, TGFβ signaling is frequently inactivated in human tumor entities including colorectal cancer (CRC) and pancreatic adenocarcinoma (PAAD) with a high proportion of mutations incapacitating SMAD4, which codes for a transcription factor (TF) central to canonical TGFβ and bone morphogenetic protein (BMP) signaling. Beyond its role in initiating EMT, SMAD4 was reported to crucially contribute to subsequent gene regulatory events during EMT execution. It is therefore widely assumed that SMAD4-mutant (SMAD4mut) cancer cells are unable to undergo EMT. Here, we scrutinized this notion and probed for potential SMAD4-independent EMT execution using SMAD4mut CRC cell lines. We show that SMAD4mut cells exhibit morphological changes, become invasive, and regulate EMT marker genes upon induction of the EMT-TF SNAIL1. Furthermore, SNAIL1-induced EMT in SMAD4mut cells was found to be entirely independent of TGFβ/BMP receptor activity. Global assessment of the SNAIL1-dependent transcriptome confirmed the manifestation of an EMT gene regulatory program in SMAD4mut cells highly related to established EMT signatures. Finally, analyses of human tumor transcriptomes showed that SMAD4 mutations are not underrepresented in mesenchymal tumor samples and that expression patterns of EMT-associated genes are similar in SMAD4mut and SMAD4 wild-type (SMAD4wt) cases. Altogether, our findings suggest that alternative TFs take over the gene regulatory functions of SMAD4 downstream of EMT-TFs, arguing for considerable plasticity of gene regulatory networks operating in EMT execution. Further, they establish that EMT is not categorically precluded in SMAD4mut tumors, which is relevant for their diagnostic and therapeutic evaluation.
The NSP14/NSP10 RNA repair complex as a Pan-coronavirus therapeutic target
Authors: Rona Gergely , Zeke Andras , Miwatani-Minter Bearach , de Vries Maren , Kaur Ramanjit , Schinlever Austin , Garcia Sheena Faye , Goldberg Hailey V. , Wang Hui , Hinds Thomas R. , Bailly Fabrice , Zheng Ning , Cotelle Philippe , Desmaële Didier , Landau Nathaniel R. , Dittmann Meike , Pagano Michele
Published: December 2021

The risk of zoonotic coronavirus spillover into the human population, as highlighted by the SARS-CoV-2 pandemic, demands the development of pan-coronavirus antivirals. The efficacy of existing antiviral ribonucleoside/ribonucleotide analogs, such as remdesivir, is decreased by the viral proofreading exonuclease NSP14-NSP10 complex. Here, using a novel assay and in silico modeling and screening, we identified NSP14-NSP10 inhibitors that increase remdesivir’s potency. A model compound, sofalcone, both inhibits the exonuclease activity of SARS-CoV-2, SARS-CoV, and MERS-CoV in vitro, and synergistically enhances the antiviral effect of remdesivir, suppressing the replication of SARS-CoV-2 and the related human coronavirus OC43. The validation of top hits from our primary screenings using cellular systems provides proof-of-concept for the NSP14 complex as a therapeutic target.
SET activation of nitroarenes by 2-azaallyl anions as a straightforward access to 2,5-dihydro-1,2,4-oxadiazoles
Authors: Zou Dong , Gan Lishe , Yang Fan , Wang Huan , Pu Youge , Li Jie , Walsh Patrick J.
Published: December 2021

The use of nitroarenes as amino sources in synthesis is challenging. Herein is reported an unusual, straightforward, and transition metal-free method for the net [3 + 2]-cycloaddition reaction of 2-azaallyl anions with nitroarenes. The products of this reaction are diverse 2,5-dihydro-1,2,4-oxadiazoles (>40 examples, up to 95% yield). This method does not require an external reductant to reduce nitroarenes, nor does it employ nitrosoarenes, which are often used in N–O cycloadditions. Instead, it is proposed that the 2-azaallyl anions, which behave as super electron donors (SEDs), deliver an electron to the nitroarene to generate a nitroarene radical anion. A downstream 2-azaallyl radical coupling with a newly formed nitrosoarene is followed by ring closure to afford the observed products. This proposed reaction pathway is supported by computational studies and experimental evidence. Overall, this method uses readily available materials, is green, and exhibits a broad scope.
Spin-neutral currents for spintronics
Authors: Shao Ding-Fu , Zhang Shu-Hui , Li Ming , Eom Chang-Beom , Tsymbal Evgeny Y.
Published: December 2021

Electric currents carrying a net spin polarization are widely used in spintronics, whereas globally spin-neutral currents are expected to play no role in spin-dependent phenomena. Here we show that, in contrast to this common expectation, spin-independent conductance in compensated antiferromagnets and normal metals can be efficiently exploited in spintronics, provided their magnetic space group symmetry supports a non-spin-degenerate Fermi surface. Due to their momentum-dependent spin polarization, such antiferromagnets can be used as active elements in antiferromagnetic tunnel junctions (AFMTJs) and produce a giant tunneling magnetoresistance (TMR) effect. Using RuO2 as a representative compensated antiferromagnet exhibiting spin-independent conductance along the [001] direction but a non-spin-degenerate Fermi surface, we design a RuO2/TiO2/RuO2 (001) AFMTJ, where a globally spin-neutral charge current is controlled by the relative orientation of the Néel vectors of the two RuO2 electrodes, resulting in the TMR effect as large as ~500%. These results are expanded to normal metals which can be used as a counter electrode in AFMTJs with a single antiferromagnetic layer or other elements in spintronic devices. Our work uncovers an unexplored potential of the materials with no global spin polarization for utilizing them in spintronics.
High-intensity training induces non-stoichiometric changes in the mitochondrial proteome of human skeletal muscle without reorganisation of respiratory chain content
Authors: Granata Cesare , Caruana Nikeisha J. , Botella Javier , Jamnick Nicholas A. , Huynh Kevin , Kuang Jujiao , Janssen Hans A. , Reljic Boris , Mellett Natalie A. , Laskowski Adrienne , Stait Tegan L. , Frazier Ann E. , Coughlan Melinda T. , Meikle Peter J. , Thorburn David R. , Stroud David A. , Bishop David J.
Published: December 2021

Mitochondrial defects are implicated in multiple diseases and aging. Exercise training is an accessible, inexpensive therapeutic intervention that can improve mitochondrial bioenergetics and quality of life. By combining multiple omics techniques with biochemical and in silico normalisation, we removed the bias arising from the training-induced increase in mitochondrial content to unearth an intricate and previously undemonstrated network of differentially prioritised mitochondrial adaptations. We show that changes in hundreds of transcripts, proteins, and lipids are not stoichiometrically linked to the overall increase in mitochondrial content. Our findings suggest enhancing electron flow to oxidative phosphorylation (OXPHOS) is more important to improve ATP generation than increasing the abundance of the OXPHOS machinery, and do not support the hypothesis that training-induced supercomplex formation enhances mitochondrial bioenergetics. Our study provides an analytical approach allowing unbiased and in-depth investigations of training-induced mitochondrial adaptations, challenging our current understanding, and calling for careful reinterpretation of previous findings.
Find and cut-and-transfer (FiCAT) mammalian genome engineering
Authors: Pallarès-Masmitjà Maria , Ivančić Dimitrije , Mir-Pedrol Júlia , Jaraba-Wallace Jessica , Tagliani Tommaso , Oliva Baldomero , Rahmeh Amal , Sánchez-Mejías Avencia , Güell Marc
Published: December 2021

While multiple technologies for small allele genome editing exist, robust technologies for targeted integration of large DNA fragments in mammalian genomes are still missing. Here we develop a gene delivery tool (FiCAT) combining the precision of a CRISPR-Cas9 (find module), and the payload transfer efficiency of an engineered piggyBac transposase (cut-and-transfer module). FiCAT combines the functionality of Cas9 DNA scanning and targeting DNA, with piggyBac donor DNA processing and transfer capacity. PiggyBac functional domains are engineered providing increased on-target integration while reducing off-target events. We demonstrate efficient delivery and programmable insertion of small and large payloads in cellulo (human (Hek293T, K-562) and mouse (C2C12)) and in vivo in mouse liver. Finally, we evolve more efficient versions of FiCAT by generating a targeted diversity of 394,000 variants and undergoing 4 rounds of evolution. In this work, we develop a precise and efficient targeted insertion of multi kilobase DNA fragments in mammalian genomes.
Revealing nano-scale lattice distortions in implanted material with 3D Bragg ptychography
Authors: Li Peng , Phillips Nicholas W. , Leake Steven , Allain Marc , Hofmann Felix , Chamard Virginie
Published: December 2021

Small ion-irradiation-induced defects can dramatically alter material properties and speed up degradation. Unfortunately, most of the defects irradiation creates are below the visibility limit of state-of-the-art microscopy. As such, our understanding of their impact is largely based on simulations with major unknowns. Here we present an x-ray crystalline microscopy approach, able to image with high sensitivity, nano-scale 3D resolution and extended field of view, the lattice strains and tilts in crystalline materials. Using this enhanced Bragg ptychography tool, we study the damage helium-ion-irradiation produces in tungsten, revealing a series of crystalline details in the 3D sample. Our results lead to the conclusions that few-atom-large ‘invisible’ defects are likely isotropic in orientation and homogeneously distributed. A partially defect-denuded region is observed close to a grain boundary. These findings open up exciting perspectives for the modelling of irradiation damage and the detailed analysis of crystalline properties in complex materials.
CRISPR-Cas9 effectors facilitate generation of single-sex litters and sex-specific phenotypes
Authors: Douglas Charlotte , Maciulyte Valdone , Zohren Jasmin , Snell Daniel M. , Mahadevaiah Shantha K. , Ojarikre Obah A. , Ellis Peter J. I. , Turner James M. A.
Published: December 2021

Animals are essential genetic tools in scientific research and global resources in agriculture. In both arenas, a single sex is often required in surplus. The ethical and financial burden of producing and culling animals of the undesired sex is considerable. Using the mouse as a model, we develop a synthetic lethal, bicomponent CRISPR-Cas9 strategy that produces male- or female-only litters with one hundred percent efficiency. Strikingly, we observe a degree of litter size compensation relative to control matings, indicating that our system has the potential to increase the yield of the desired sex in comparison to standard breeding designs. The bicomponent system can also be repurposed to generate postnatal sex-specific phenotypes. Our approach, harnessing the technological applications of CRISPR-Cas9, may be applicable to other vertebrate species, and provides strides towards ethical improvements for laboratory research and agriculture.
RIPK1 dephosphorylation and kinase activation by PPP1R3G/PP1γ promote apoptosis and necroptosis
Authors: Du Jingchun , Xiang Yougui , Liu Hua , Liu Shuzhen , Kumar Ashwani , Xing Chao , Wang Zhigao
Published: December 2021

Receptor-interacting protein kinase 1 (RIPK1) is a key regulator of inflammation and cell death. Many sites on RIPK1, including serine 25, are phosphorylated to inhibit its kinase activity and cell death. How these inhibitory phosphorylation sites are dephosphorylated is poorly understood. Using a sensitized CRISPR whole-genome knockout screen, we discover that protein phosphatase 1 regulatory subunit 3G (PPP1R3G) is required for RIPK1-dependent apoptosis and type I necroptosis. Mechanistically, PPP1R3G recruits its catalytic subunit protein phosphatase 1 gamma (PP1γ) to complex I to remove inhibitory phosphorylations of RIPK1. A PPP1R3G mutant which does not bind PP1γ fails to rescue RIPK1 activation and cell death. Furthermore, chemical prevention of RIPK1 inhibitory phosphorylations or mutation of serine 25 of RIPK1 to alanine largely restores cell death in PPP1R3G-knockout cells. Finally, Ppp1r3g−/− mice are protected from tumor necrosis factor-induced systemic inflammatory response syndrome, confirming the important role of PPP1R3G in regulating apoptosis and necroptosis in vivo.
Intrinsic cerebellar functional connectivity of social cognition and theory of mind in first-episode psychosis patients
Authors: Park Soo Hwan , Kim Taekwan , Ha Minji , Moon Sun-Young , Lho Silvia Kyungjin , Kim Minah , Kwon Jun Soo
Published: December 2021

Neuroimaging studies have revealed how intrinsic dysconnectivity among cortical regions of the mentalizing network (MENT) and the mirror neuron system (MNS) could explain the theory of mind (ToM) deficit in schizophrenia patients. However, despite the concurrent involvement of the cerebellum with the cortex in social cognition, the dysfunction in intrinsic interplay between the cerebellar nodes of MENT/MNS and the cortex in schizophrenia patients remains unknown. Thus, we aimed to investigate whether resting-state cerebello–cortical dysconnectivity exists in first-episode psychosis (FEP) patients in relationship with their ToM deficit. A total of 37 FEP patients and 80 healthy controls (HCs) underwent resting-state functional magnetic resonance imaging. Using a priori-defined cerebellar seeds that functionally connect to the MENT (right crus II) and MNS (right crus I), we compared cerebello–cortical functional connectivities (FCs) in FEP patients and HCs. Correlations between cerebello–parietal connectivities and ToM performance were investigated in FEP patients. FEP patients showed hyperconnectivity between the right crus II and anterior cingulate gyrus and between the right crus I and supplementary motor area, bilateral postcentral gyrus, and right central/parietal operculum (CO/PO). Hypoconnectivity was found between the right crus II and left supramarginal gyrus (SMG) in FEP patients. FCs between the right crus II and left SMG and between the right crus I and right CO/PO were significantly correlated with ToM scores in FEP patients. In accordance with the “cognitive dysmetria” hypothesis, our results highlight the importance of cerbello-cortical dysconnectivities in understanding social cognitive deficits in schizophrenia patients.
Deep learning-based robust automatic non-invasive measurement of blood pressure using Korotkoff sounds
Authors: Chang Ji-Ho , Doh Il
Published: December 2021

This paper proposes a method that automatically measures non-invasive blood pressure (BP) based on an auscultatory approach using Korotkoff sounds (K-sounds). There have been methods utilizing K-sounds that were more accurate in general than those using cuff pressure signals only under well-controlled environments, but most were vulnerable to the measurement conditions and to external noise because blood pressure is simply determined based on threshold values in the sound signal. The proposed method enables robust and precise BP measurements by evaluating the probability that each sound pulse is an audible K-sound based on a deep learning using a convolutional neural network (CNN). Instead of classifying sound pulses into two categories, audible K-sounds and others, the proposed CNN model outputs probability values. These values in a Korotkoff cycle are arranged in time order, and the blood pressure is determined. The proposed method was tested with a dataset acquired in practice that occasionally contains considerable noise, which can degrade the performance of the threshold-based methods. The results demonstrate that the proposed method outperforms a previously reported CNN-based classification method using K-sounds. With larger amounts of various types of data, the proposed method can potentially achieve more precise and robust results.
Instability caused swimming of ferromagnetic filaments in pulsed field
Authors: Zaben Abdelqader , Kitenbergs Guntars , Cēbers Andrejs
Published: December 2021

Magnetic filaments driven by external magnetic field are an interesting topic of research in-terms of the possible bio-medical applications. In this paper, we investigated the applicability of using ferromagnetic filaments as micro swimmers both experimentally and numerically. It was found that applying a pulse wave field profile with a duty cycle of 30$$\%$$
%
induced experimentally observable swimming, which is similar to the breast stroke of micro algae. Good agreement with numerical simulations was found. Moreover, for stable continuous swimming, an initial filament shape is required to avoid transition to the structurally preferred non-swimming S-like mode.
Interplay between eutrophication and climate warming on bacterial communities in coastal sediments differs depending on water depth and oxygen history
Authors: Seidel Laura , Broman Elias , Turner Stephanie , Ståhle Magnus , Dopson Mark
Published: December 2021

Coastal aquatic systems suffer from nutrient enrichment, which results in accelerated eutrophication effects due to increased microbial metabolic rates. Climate change related prolonged warming will likely accelerate existing eutrophication effects, including low oxygen concentrations. However, how the interplay between these environmental changes will alter coastal ecosystems is poorly understood. In this study, we compared 16S rRNA gene amplicon based bacterial communities in coastal sediments of a Baltic Sea basin in November 2013 and 2017 at three sites along a water depth gradient with varying bottom water oxygen histories. The shallow site showed changes of only 1.1% in relative abundance of bacterial populations in 2017 compared to 2013, while the deep oxygen-deficient site showed up to 11% changes in relative abundance including an increase of sulfate-reducing bacteria along with a 36% increase in organic matter content. The data suggested that bacterial communities in shallow sediments were more resilient to seasonal oxygen decline, while bacterial communities in sediments subjected to long-term hypoxia seemed to be sensitive to oxygen changes and were likely to be under hypoxic/anoxic conditions in the future. Our data demonstrate that future climate changes will likely fuel eutrophication related spread of low oxygen zones.
Tropical bee species abundance differs within a narrow elevational gradient
Authors: Conrad Kristin M. , Peters Valerie E. , Rehan Sandra M.
Published: December 2021

Insect pollination is among the most essential ecosystem services for humanity. Globally, bees are the most effective pollinators, and tropical bees are also important for maintaining tropical biodiversity. Despite their invaluable pollination service, basic distributional patterns of tropical bees along elevation gradients are globally scarce. Here, we surveyed bees at 100 m elevation intervals from 800 to 1100 m elevation in Costa Rica to test if bee abundance, community composition and crop visitor assemblages differed by elevation. We found that 18 of 24 bee species spanning three tribes that represented the most abundantly collected bee species showed abundance differences by elevation, even within this narrow elevational gradient. Bee assemblages at the two crop species tested, avocado and squash, showed community dissimilarity between high and low elevations, and elevation was a significant factor in explaining bee community composition along the gradient. Stingless bees (Tribe Meliponini) were important visitors to both crop species, but there was a more diverse assemblage of bees visiting avocado compared to squash. Our findings suggest that successful conservation of tropical montane bee communities and pollination services will require knowledge of which elevations support the highest numbers of each species, rather than species full altitudinal ranges.
Robust anticipation of continuous steering actions from electroencephalographic data during simulated driving
Authors: Di Liberto Giovanni M. , Barsotti Michele , Vecchiato Giovanni , Ambeck-Madsen Jonas , Del Vecchio Maria , Avanzini Pietro , Ascari Luca
Published: December 2021

Driving a car requires high cognitive demands, from sustained attention to perception and action planning. Recent research investigated the neural processes reflecting the planning of driving actions, aiming to better understand the factors leading to driving errors and to devise methodologies to anticipate and prevent such errors by monitoring the driver’s cognitive state and intention. While such anticipation was shown fordiscretedriving actions, such as emergency braking, there is no evidence for robust neural signatures ofcontinuousaction planning. This study aims to fill this gap by investigating continuous steering actions during a driving task in a car simulator with multimodal recordings of behavioural and electroencephalography (EEG) signals. System identification is used to assess whether robust neurophysiological signatures emerge before steering actions. Linear decoding models are then used to determine whether such cortical signals can predict continuous steering actions with progressively longer anticipation. Results point to significant EEG signatures of continuous action planning. Such neural signals show consistent dynamics across participants for anticipations up to 1 s, while individual-subject neural activity could reliably decode steering actions and predict future actions for anticipations up to 1.8 s. Finally, we use canonical correlation analysis to attempt disentangling brain and non-brain contributors to the EEG-based decoding. Our results suggest that low-frequency cortical dynamics are involved in the planning of steering actions and that EEG is sensitive to that neural activity. As a result, we propose a framework to investigate anticipatory neural activity in realistic continuous motor tasks.
Supervised training of spiking neural networks for robust deployment on mixed-signal neuromorphic processors
Authors: Büchel Julian , Zendrikov Dmitrii , Solinas Sergio , Indiveri Giacomo , Muir Dylan R.
Published: December 2021

Mixed-signal analog/digital circuits emulate spiking neurons and synapses with extremely high energy efficiency, an approach known as “neuromorphic engineering”. However, analog circuits are sensitive to process-induced variation among transistors in a chip (“device mismatch”). For neuromorphic implementation of Spiking Neural Networks (SNNs), mismatch causes parameter variation between identically-configured neurons and synapses. Each chip exhibits a different distribution of neural parameters, causing deployed networks to respond differently between chips. Current solutions to mitigate mismatch based on per-chip calibration or on-chip learning entail increased design complexity, area and cost, making deployment of neuromorphic devices expensive and difficult. Here we present a supervised learning approach that produces SNNs with high robustness to mismatch and other common sources of noise. Our method trains SNNs to perform temporal classification tasks by mimicking a pre-trained dynamical system, using a local learning rule from non-linear control theory. We demonstrate our method on two tasks requiring temporal memory, and measure the robustness of our approach to several forms of noise and mismatch. We show that our approach is more robust than common alternatives for training SNNs. Our method provides robust deployment of pre-trained networks on mixed-signal neuromorphic hardware, without requiring per-device training or calibration.
A quantum Hopfield associative memory implemented on an actual quantum processor
Authors: Miller Nathan Eli , Mukhopadhyay Saibal
Published: December 2021

In this work, we present a Quantum Hopfield Associative Memory (QHAM) and demonstrate its capabilities in simulation and hardware using IBM Quantum Experience.. The QHAM is based on a quantum neuron design which can be utilized for many different machine learning applications and can be implemented on real quantum hardware without requiring mid-circuit measurement or reset operations. We analyze the accuracy of the neuron and the full QHAM considering hardware errors via simulation with hardware noise models as well as with implementation on the 15-qubit ibmq_16_melbourne device. The quantum neuron and the QHAM are shown to be resilient to noise and require low qubit overhead and gate complexity. We benchmark the QHAM by testing its effective memory capacity and demonstrate its capabilities in the NISQ-era of quantum hardware. This demonstration of the first functional QHAM to be implemented in NISQ-era quantum hardware is a significant step in machine learning at the leading edge of quantum computing.
The optimal emergency decision-making method with incomplete probabilistic information
Authors: Fu Ming , Wang Lifang , Zheng Bingyun , Shao Haiyan
Published: December 2021

Emergencies often occur irregularly, such as infectious diseases, earthquakes, wars, floods, the diffusion and leakage of chemically toxic and harmful substances, etc. These emergencies can bring huge disasters to people, even worse, the time left for people to make critical decisions is usually very limited. When an emergency occurs, the most important thing for people is to make reasonable decisions as soon as possible to deal with the current problems, otherwise, the situation may deteriorate further. The paper proposes an emergency decision-making algorithm under the constraints of the limited time and incomplete information, the research is mainly carried out from the following aspects, firstly, we use the data structure of the hesitant fuzzy probabilistic linguistic set to collect the basic data after careful comparison, which has three advantages, (1) considering the hesitation in the decision-making process, each evaluation information is allowed to contain multiple values instead of just one value; (2) each evaluation value is followed by a probability value, which further describes the details of the evaluation information; (3) the data structure allows some probability information to be unknown, which effectively expands the application scope of the algorithm. Secondly, the maximization gap model is proposed to calculate unknown parameters, the model can distinguish alternatives with small differences. Thirdly, all the evaluation information will be aggregated by the dynamic hesitant probability fuzzy weighted arithmetic operator. Subsequently, an instance is given to illustrate the effectiveness and the accuracy of the algorithm proposed in the paper. Finally, the advantages of the proposed algorithm are further demonstrated by comparing it with other outstanding algorithms. The main contribution of the paper is that we propose the maximization gap model to obtain the unknown parameters, which can effectively and accurately distinguish alternatives with small differences.
Analysis of trypsin activity at β-casein layers formed on hydrophobic surfaces using a multiharmonic acoustic method
Authors: Spagnolo Sandro , Muckley Eric S. , Ivanov Ilia N. , Hianik Tibor
Published: December 2021

For processing the changes in the fundamental frequency (8 MHz) and dissipation parameter of a crystal coated with dodecanethiol after the addition of β-casein and its cleavage by trypsin at different concentrations (0.3 nM–20 nM), a model was developed to study the enzyme activity and the physical properties of the protein layer.
Assembly of a rod indium–organic framework with fluorescence properties for selective sensing of Cu2+, Fe3+ and nitroaromatics in water
Authors: Zhang Hao , Ding Zi-Jun , Luo Yu-Hui , Geng Wu-Yue , Wang Zhi-Xuan , Zhang Dong-En
Published: December 2021

A chiral fluorescent In-MOF with two types of unique homochiral In–O–In helical chains was synthesized. Then it was developed as a highly sensitive fluorescence sensor for detecting Cu2+, Fe3+ and nitroaromatics in water.
Formation of cyclic (boryl)iminomethane derivatives by the insertion of isocyanides into a boron–carbon bond
Authors: Zhou Haiyu , Wang Jingjing , Meng Yuxuan , Liu Fei , Wang Tongdao
Published: December 2021

A facile synthetic procedure for the construction of cyclic (boryl)iminomethanes was developed by isocyanide insertion into the B–C bond of an amino alkenyl borane, and these species further reacted with isocyanides to selectively result in double insertion products.
Simultaneous removal of arsenite and cadmium by a manganese-crosslinking sodium alginate modified biochar and zerovalent iron composite from aqueous solutions
Authors: Mao Wei , Zhang Lixun , Zhang Ying , Guan Yuntao
Published: December 2021

A novel manganese-crosslinking sodium alginate modified biochar and zerovalent iron composite (Mn/SA-BC@nZVI) was prepared for the simultaneous removal of arsenite (As(iii)) and cadmium (Cd(ii)) from contaminated water.
1H-NMR based metabolic study of MMTV-PyMT mice along with pathological progress to screen biomarkers for the early diagnosis of breast cancer
Authors: Liu Ying , Qi Cuiling , Zheng Lingyun , Li Jiangchao , Wang Lijing , Yang Yongxia
Published: December 2021

This study showed the common metabolic changes between BC patients and mice, which were related to pathological processes.
Cross-sectional shape evolution of GaN nanowires during molecular beam epitaxy growth on Si(111)
Authors: Volkov Roman , Borgardt Nikolai I. , Konovalov Oleg V. , Fernández-Garrido Sergio , Brandt Oliver , Kaganer Vladimir M.
Published: December 2021

Two distinct trends in the evolution of the shapes of GaN nanowires are observed. A roundish shape at the bottom, shadowed from the impinging fluxes, is the equilibrium crystal shape, while the hexagonal shape at the top is driven kinetically.
Novel approach for the synthesis of chiral organometallic complexes – first series of lithium 2-amino-indenide ligands bearing pendant donor groups and a unique helical bent-zirconocene
Authors: Rufanov Konstantin A. , Titov Ilya Yu. , Lemenovskii Dmitry A. , Krut’ko Dmitry P. , Churakov Andrei V.
Published: December 2021

Direct metallation of chiral 2-amino-indenyl ligands leads to a lithiated species linked in infinite chains and a unique helical bent zirconocene.
‘Hybrid’ mero-anionic polymethines with a 1,3,2-dioxaborine core
Authors: Polishchuk Vladyslav , Kulinich Andrii , Suikov Sergey , Rusanov Eduard , Shandura Mykola
Published: December 2021

The synthesis and characterization of new mero-anionic polymethines of the D–π–A–π–A′ type are described.
Increased crystallinity of RuSe2/carbon nanotubes for enhanced electrochemical hydrogen generation performance
Authors: Li Dongze , Zha Meng , Feng Ligang , Hu Guangzhi , Hu Chaoquan , Wu Xiang , Wang Xinzhong
Published: December 2021

Increased crystallinity of cubic RuSe2 nanoparticles anchored over carbon nanotubes could largely increase the hydrogen generation performance both in acidic and alkaline electrolytes compared to the freshly prepared catalyst.
Brønsted acid-catalyzed enantioselective addition of 1,3-diones to in situ generated N-acyl ketimines
Authors: Sadhu Milon M. , Ray Sumit K. , Unhale Rajshekhar A. , Singh Vinod K.
Published: December 2021

A Brønsted acid-catalyzed enantioselective addition of 1,3-diones to in situ generated N-acyl ketimines has been developed. Various dicarbonyl-substituted chiral isoindolinones were achieved with up to 98% yields and up to 95% enantioselectivities.
Whole genome sequencing for revealing the point mutations of SARS-CoV-2 genome in Bangladeshi isolates and their structural effects on viral proteins
Authors: Hossain Mohammad Uzzal , Ahammad Ishtiaque , Bhattacharjee Arittra , Chowdhury Zeshan Mahmud , Hossain Emon Md. Tabassum , Chandra Das Keshob , Keya Chaman Ara , Salimullah Md.
Published: December 2021

SARS-CoV-2 mutational impact analysis.
Association of m.5178C>A variant with serum lipid levels: a systematic review and meta-analysis
Authors: Liu Fuqiang , He Jiyun , Wang Shengping , Yu Feng , Luo Zhi
Published: December 2021

Background: Emerging evidence shows that m.5178C>A variant is associated with a lower risk of coronary artery disease (CAD). However, the specific mechanisms remain elusive. Since dyslipidemia is one of the most critical risk factors for CAD and accounts for at least 50% of the population-attributable risk, it is tempting to speculate that the reduced CAD risk caused by the m.5178C>A variant may stem from an improved lipid profile. In order to verify this hypothesis, we conducted the present study to clarify the association of m.5178C>A variant with lipid levels.

Methods: By searching ten databases for studies published before 30 June 2021. Thirteen East Asian populations (7587 individuals) were included for the analysis.

Results: The present study showed that m.5178C>A variant was associated with higher high-density lipoprotein cholesterol (HDL-C) [standardized mean difference (SMD) = 0.12, 95% confidence interval (CI) = 0.06–0.17, P<0.001] and total cholesterol (TC) (SMD = 0.08, 95% CI = 0.02–0.14, P=0.01) levels. In subgroup analysis, the association of m.5178C>A variant with higher HDL-C levels were observed in Japanese (SMD = 0.09, 95% CI = 0.01–0.17, P=0.03) and Chinese populations (SMD = 0.13, 95% CI = 0.07–0.20, P<0.001). However, the association of m.5178C>A variant with lower low-density lipoprotein cholesterol (LDL-C) levels were only observed in Japanese populations (SMD = −0.11, 95% CI = −0.22 to 0.00, P=0.04).

Conclusions: The m.5178C>A variant was associated with higher HDL-C and lower LDL-C levels in Japanese populations, which may contribute to decreased CAD risk and longevity of Japanese.
The Effects of a Multitiered System of Language Support on Kindergarten Oral and Written Language: A Large-Scale Randomized Controlled Trial
Authors: Petersen Douglas B. , Staskowski Maureen , Spencer Trina D. , Foster Matthew E. , Brough Mollie Paige
Published: December 2021

Purpose:

The purpose of this randomized controlled trial was to examine the effects of a multitiered system of language support (MTSLS) on kindergarteners' narrative retelling, personal stories, writing, and expository language.

Method:

Participants were 686 kindergarten students from four school districts in the United States. Twenty-eight classrooms were randomly assigned to treatment (
n
= 337 students) or control (
n
= 349 students) conditions. The treatment group received 14 weeks of oral narrative language instruction using
Story Champs,
a multitiered language program. Classroom teachers delivered large group (Tier 1) instruction for 15–20 min a day for 4 weeks. After this short-duration whole-class instruction, speech-language pathologists began small group
Story Champs
(Tier 2) intervention with a random sample of students who did not make adequate progress from the large group instruction (
n
= 49). These students received Tier 2 intervention for 20 min twice a week in addition to continued Tier 1 instruction.

Results:

Results indicated that the students in the treatment group had significantly higher scores on all outcome measures compared to the students in the control group. Analyses of outcomes from the 49 students who received Tier 2 intervention compared to a matching sample of at-risk control students revealed that the treatment group had significantly higher scores on narrative retells, personal stories, and expository retells. When compared to matched average-performing and advanced-performing control peers, the students who received Tier 2 intervention had significantly higher narrative retell scores and no longer had significantly lower personal story, expository, or writing scores.

Conclusion:

This effectiveness study demonstrated that MTSLS can lead to meaningful improvements in kindergarteners' oral and written language skills, even helping at-risk students catch up to high-achieving peers.
Finite‐control‐set model predictive control with a constant switching frequency for single‐phase grid‐connected photovoltaic inverter
Authors: Zhang Zhen , Li Bingqiang , Ma Ruiqing , Chen Xiaolei , Dai Zhiyong
Published: December 2021

Taking the advantage of easy implementation in the discrete digital control system, the finite‐control‐set model predictive control (FCS‐MPC) is widely used in multi‐phase or multi‐level power converters. As the smallest independent operation unit in photovoltaic (PV) distributed power generation systems, the PV inverter has the most direct influence on the power quality. However, the lack of switching states and output voltage levels restricts the development of FCS‐MPC in single‐phase PV inverters. In order to improve the quality of the PV inverter output current, a constant switching frequency FCS‐MPC (CFS‐FCS‐MPC) method is proposed for single‐phase grid‐connected PV inverter in this paper, which can thus reduce output current ripples and lower harmonics. Compared with the conventional FCS‐MPC method, the proposed CFS‐FCS‐MPC method synthesizes the switching state with a nonzero and a zero switching state in one sampling period. In addition, an optimum allocation of switching states and execution time for the synthesized switching state is presented. Experimental results have verified the effectiveness of the proposed CSF‐FCS‐MPC method for the output current, achieving lower current ripples and higher current quality with a constant switching frequency.
Transmitting strategy with high degrees of freedom for pulsed‐coherent FDA radar
Authors: Yu Lei , He Feng , Su Yi , Dong Zhen
Published: December 2021

Multidimensional and flexible radar resource transmission in time, frequency and space domains is strongly demanded for advanced digital array radar to meet the challenging observation requirements. In this study, a high degrees of freedom (DOF) transmitting strategy is proposed for pulsed‐coherent frequency diverse array (FDA) radar. The flexible beam scanning property of coherent FDA radar is well developed by combining with spatial transmit array weighting and temporal piecewise waveform design. The proposed method fully exploits the transmitting DOFs of coherent FDA radar, which not only enables the transmit beampattern shaping but also promises the ability of spatial waveform diversity and transmitting energy allocation. Since the spatial transmitting signal bandwidth is preset, a received signal processing method with a variable sampling rate is proposed to avoid over sampling in all receiving channels. Simulation results validate the effectiveness of the proposed method and further demonstrate its potential applications.
Mass transport in a moist planetary climate model
Authors: Mendonça J. M.
Published: December 2021

Planetary climate models (PCMs) are developed to explore planetary climates other than that of the Earth. Therefore, the methods implemented need to be suitable for a large diversity of conditions. Every planet with a significant atmosphere has condensible cycles (e.g. the hydrological cycle), which can play an essential role in the planet’s appearance and environment. We must accurately represent a condensible cycle in our planet simulations to build a powerful planetary climate predictor. OASIS is a 3D PCM capable of self-consistently representing the main physical processes that drive a planet’s environment. In this work, we improve the representation of mass transport in OASIS, which is the first step towards a complete and flexible implementation of a condensible cycle. We implement an upwind-biased scheme on a piece-wise linear approximation with a flux limiter to solve the mass transport equation. We first benchmark the new scheme on a 2D problem that confirms the superior properties of the new method over the central finite-volume method in terms of performance, accuracy, and shape-preserving mass distribution. Due to the new scheme’s less dispersive nature, we do not have to apply any unphysical diffusion to maintain the model stable. OASIS includes the new improved solver in the total mass and the tracer (e.g. clouds and individual gas chemical species) transport. We couple the new formulation with physical schemes and validate the new code on two 3D simulations of an ocean Earth-like planet and an ocean tidally locked planet. The new OASIS simulations are robust and do not show any known problems from the dynamics-physics coupling. We show that the two simulations capture the main characteristics of ocean planet atmospheres and are easy to set up. We propose these two simulations as the first standard benchmark tests for models built to explore moist planetary environments.
Ultraviolet and vacuum ultraviolet photo-processing of protonated benzonitrile (C6H5CNH+)
Authors: Jacovella Ugo , Noble Jennifer A. , Guliani Alexandre , Hansen Christopher S. , Trevitt Adam J. , Mouzay Julie , Couturier-Tamburelli Isabelle , Pietri Nathalie , Nahon Laurent
Published: December 2021

Context. The recent detection in pre-stellar sources of cyano-substituted and pure hydrocarbon cycles has emphasized the importance of aromatic chemistry in the earliest stages of star formation. Ultraviolet (UV) and vacuum-UV (VUV) radiation is ubiquitous in space and thus the photo-processing of small cyclic ions may open a window onto rich chemical networks and lead to the formation of larger aromatics in space.

Aims. The aim is to investigate the fate of protonated benzonitrile species after UV and VUV photoexcitation and the subsequent potential impact on stellar and interstellar chemistry.

Methods. Protonated benzonitrile was isolated in a linear ion trap prior to irradiation with UV and VUV radiation (4.5–13.6 eV) from the DESIRS beamline at synchrotron SOLEIL. The study was extended down to 3.5 eV using a cryogenic Paul ion trap coupled to an OPO laser at the PIIM laboratory. Photodissociation action spectra were obtained by monitoring the photofragment yields as a function of photon energy.

Results. The UV/VUV photodissociation action spectra of protonated benzonitrile show structured bands from 3.8 to 9 eV. The primary dissociation channel of protonated benzonitrile corresponds to HCN/HNC loss and formation of the phenylium cation (C6H5+); whereas at high energies, a minor channel is observed that correlates with HC3N loss and formation of C4H5+.

Conclusions. The UV and VUV photodestruction of protonated benzonitrile leads to the formation of a highly reactive cationic species, C6H5+, predicted to be an important precursor of larger aromatic molecules in space, such as polycyclic aromatic hydrocarbons. The inclusion of C6H5+ – a precursor of benzene and, by extension, of benzonitrile – as the result of formation via the photodissociation of protonated benzonitrile in current astrochemical models could improve the predicted abundance of benzonitrile, which is currently underestimated.
Toward measuring the spin of obscured supermassive black holes
Authors: Masini Alberto , Celotti Annalisa , Campitiello Samuele
Published: December 2021

Context. Mass and spin are two fundamental properties of astrophysical black holes. While some established indirect methods are adopted to measure both these properties of active galactic nuclei (AGN) when viewed relatively face-on, very few suggested methods exist to measure these properties when AGN are highly inclined and potentially obscured by large amounts of gas.

Aims. In this context we explore the accuracy and performance of a recently proposed method to estimate the spin of AGN by fitting the accretion disk spectral energy distribution, when adapted for highly inclined and obscured systems, and in particular to a sample of six local water megamasers. For these sources the accretion rate and inclination angle are both known, allowing us to rely only on the AGN bolometric luminosity to infer their spin.

Methods. Using the bolometric luminosity as a proxy for the accretion disk peak luminosity, we derived the expected bolometric luminosity as a function of spin. Then, we measured the bolometric luminosity of each source through X-ray spectroscopy, and compared it with the expected value to constrain the spin of the AGN.

Results. The quality of the constraints depend critically on the accuracy of the measured bolometric luminosity, which is difficult to estimate in heavily obscured systems. Three out of six sources do not show consistency between the expected and measured bolometric luminosities, while the other three (four, when considering the [OIII] line as tracer of the bolometric luminosity) are formally consistent with high spin values.

Conclusions. Our results suggest that this method, although promising (and possibly considered as a future calibrator for other methods) needs better observational data and further theoretical modeling to be successfully applied to obscured AGN and to infer robust results.
A LOFAR view into the stormy environment of the galaxy cluster 2A0335+096
Authors: Ignesti A. , Brunetti G. , Shimwell T. , Gitti M. , Birzan L. , Botteon A. , Brüggen M. , de Gasperin F. , Di Gennaro G. , Edge A. C. , Riseley C. J. , Röttgering H. J. A. , van Weeren R. J.
Published: December 2021

Context.Radio observations represent a powerful probe of the physics occurring in the intracluster medium (ICM) because they trace the relativistic cosmic rays in the cluster magnetic fields, or within galaxies themselves. By probing the low-energy cosmic rays, low-frequency radio observations are especially interesting because they unveil emission powered by low-efficiency particle acceleration processes, which are believed to play a crucial role in the origin of diffuse radio emission.

Aims.We investigate the origin of the radio mini-halo at the centre of the galaxy cluster 2A0335+096 and its connection to the central galaxy and the sloshing cool core. We also study the properties of the head-tail galaxy GB6 B0335+096 hosted in the cluster to explore the life cycle of the relativistic electrons in its radio tails.

Methods.We used new LOw Frequency ARray (LOFAR) observations from the LOFAR Two-meter Sky Survey at 144 MHz to map the low-frequency emission with a high level of detail. The new data were combined with archival Giant Metrewave Radio Telescope andChandraobservations to carry out a multi-wavelength study.

Results.We have made the first measurement of the spectral index of the mini-halo (α = −1.2 ± 0.1 between 144 MHz and 1.4 GHz) and the lobes of the central source (α ≃ −1.5 ± 0.1 between 144 and 610 MHz). Based on the low-frequency radio emission morphology with respect to the thermal ICM, we propose that the origin of the diffuse radio emission is linked to the sloshing of the cool core. The new data reveal the presence of a megaparsec-long radio tail associated with GB6 B0335+096. The observed projected length is a factor 3 longer than the expected cooling length, with evidence of flattening in the spectral index trend along the tail. Therefore, we suggest that the electrons towards the end of the tail are kept alive by the ICM gentle re-acceleration.