bluuebunny/crossref_metadata_2025_split huggingface dataset:
A chemosensor-based chiral coassembly with switchable circularly polarized luminescence
Authors: Cheng Qiuhong , Hao Aiyou , Xing Pengyao 
Published: November 2021

AbstractFluorescent chemosensors represent fast response to analytes with pronounced luminescent variations. They are promising as potential candidates in controlling luminescence and chiroptical activities of self-assembled chiral systems, which however have not been accomplished to date. We present a coassembled multiple component system that could respond to SO2 derivatives, giving rise to dynamic aggregation behaviors and switchable luminescence as well as circularly polarized luminescence (CPL). Cholesteryl-naphthalimide and coumarin derivatives coassemble into vesicles and nanohelices under the solvent strategy, behaving as energy transfer donor and accepter respectively. Energy transfer enables CPL transition from green to red depending on the molar fraction. After the addition of SO2 derivatives, hypochromic shifts occur to CPL due to the nucleophilic addition reaction to coumarin domain, hindering energy transfer and allow for the emergence of pristine luminescence. Here, we show a protocol to control over luminescence and chiroptical features of supramolecular chiral self-assemblies using fluorescent chemosensors.
Nanoscale neural network using non-linear spin-wave interference
Authors: Papp Ádám , Porod Wolfgang , Csaba Gyorgy 
Published: November 2021

AbstractWe demonstrate the design of a neural network hardware, where all neuromorphic computing functions, including signal routing and nonlinear activation are performed by spin-wave propagation and interference. Weights and interconnections of the network are realized by a magnetic-field pattern that is applied on the spin-wave propagating substrate and scatters the spin waves. The interference of the scattered waves creates a mapping between the wave sources and detectors. Training the neural network is equivalent to finding the field pattern that realizes the desired input-output mapping. A custom-built micromagnetic solver, based on the Pytorch machine learning framework, is used to inverse-design the scatterer. We show that the behavior of spin waves transitions from linear to nonlinear interference at high intensities and that its computational power greatly increases in the nonlinear regime. We envision small-scale, compact and low-power neural networks that perform their entire function in the spin-wave domain.
Substrate strain tunes operando geometric distortion and oxygen reduction activity of CuN2C2 single-atom sites
Authors: Han Guokang , Zhang Xue , Liu Wei , Zhang Qinghua , Wang Zhiqiang , Cheng Jun , Yao Tao , Gu Lin , Du Chunyu , Gao Yunzhi , Yin Geping 
Published: November 2021

AbstractSingle-atom catalysts are becoming increasingly significant to numerous energy conversion reactions. However, their rational design and construction remain quite challenging due to the poorly understood structure–function relationship. Here we demonstrate the dynamic behavior of CuN2C2 site during operando oxygen reduction reaction, revealing a substrate-strain tuned geometry distortion of active sites and its correlation with the activity. Our best CuN2C2 site, on carbon nanotube with 8 nm diameter, delivers a sixfold activity promotion relative to graphene. Density functional theory and X-ray absorption spectroscopy reveal that reasonable substrate strain allows the optimized distortion, where Cu bonds strongly with the oxygen species while maintaining intimate coordination with C/N atoms. The optimized distortion facilitates the electron transfer from Cu to the adsorbed O, greatly boosting the oxygen reduction activity. This work uncovers the structure–function relationship of single-atom catalysts in terms of carbon substrate, and provides guidance to their future design and activity promotion.
Explainable machine learning model for predicting spontaneous bacterial peritonitis in cirrhotic patients with ascites
Authors: Hu Yingying , Chen Ruijia , Gao Haibing , Lin Haitao , Wang Jinye , Wang Xiaowei , Liu Jingfeng , Zeng Yongyi 
Published: November 2021

AbstractSpontaneous bacterial peritonitis (SBP) is a life-threatening complication in patients with cirrhosis. We aimed to develop an explainable machine learning model to achieve the early prediction and outcome interpretation of SBP. We used CatBoost algorithm to construct MODEL-1 with 46 variables. After dimensionality reduction, we constructed MODEL-2. We calculated and compared the sensitivity and negative predictive value (NPV) of MODEL-1 and MODEL-2. Finally, we used the SHAP (SHapley Additive exPlanations) method to provide insights into the model’s outcome or prediction. MODEL-2 (AUROC: 0.822; 95% confidence interval [CI] 0.783–0.856), liked MODEL-1 (AUROC: 0.822; 95% CI 0.784–0.856), could well predict the risk of SBP in cirrhotic ascites patients. The 6 most influential predictive variables were total protein, C-reactive protein, prothrombin activity, cholinesterase, lymphocyte ratio and apolipoprotein A1. For binary classifier, the sensitivity and NPV of MODEL-1 were 0.894 and 0.885, respectively, while for MODEL-2 they were 0.927 and 0.904, respectively. We applied CatBoost algorithm to establish a practical and explainable prediction model for risk of SBP in cirrhotic patients with ascites. We also identified 6 important variables closely related to the occurrence of SBP.
Traumatic brain injury augurs ill for prolonged deficits in the brain’s structural and functional integrity following controlled cortical impact injury
Authors: Mohamed Abdalla Z. , Cumming Paul , Nasrallah Fatima A. 
Published: November 2021

AbstractPrevious neuroimaging studies in rodents investigated effects of the controlled cortical impact (CCI) model of traumatic brain injury (TBI) within one-month post-TBI. This study extends this temporal window to monitor the structural–functional alterations from two hours to six months post-injury. Thirty-seven male Sprague–Dawley rats were randomly assigned to TBI and sham groups, which were scanned at two hours, 1, 3, 7, 14, 30, 60 days, and six months following CCI or sham surgery. Structural MRI, diffusion tensor imaging, and resting-state functional magnetic resonance imaging were acquired to assess the dynamic structural, microstructural, and functional connectivity alterations post-TBI. There was a progressive increase in lesion size associated with brain volume loss post-TBI. Furthermore, we observed reduced fractional anisotropy within 24 h and persisted to six months post-TBI, associated with acutely reduced axial diffusivity, and chronic increases in radial diffusivity post-TBI. Moreover, a time-dependent pattern of altered functional connectivity evolved over the six months’ follow-up post-TBI. This study extends the current understanding of the CCI model by confirming the long-term persistence of the altered microstructure and functional connectivity, which may hold a strong translational potential for understanding the long-term sequelae of TBI in humans.
Artificial flexible sperm-like nanorobot based on self-assembly and its bidirectional propulsion in precessing magnetic fields
Authors: Celi Nuoer , Gong De , Cai Jun 
Published: November 2021

AbstractSperm cells can move at a high speed in biofluids based on the flexible flagella, which inspire novel flagellar micro-/nanorobots to be designed. Despite progress in fabricating sperm-type robots at micro scale, mass fabrication of vivid sperm-like nanorobots with flagellar flexibility is still challenging. In this work, a facile and efficient strategy is proposed to produce flexible sperm-like nanorobots with self-assembled head-to-tail structure, and its bidirectional propulsion property was studied in detail. The nanorobots were composed of a superparamagnetic head and a flexible Au/PPy flagellum, which were covalently linked via biotin-streptavidin bonding with a high yield. Under precessing magnetic fields, the head drove the flexible tail to rotate and generated undulatory bending waves propagating along the body. Bidirectional locomotion was investigated, and moving velocity as well as direction varied with the actuating conditions (field strength, frequency, direction) and the nanorobot’s structure (tail length). Effective flagellar propulsion was observed near the substrate and high velocities were attained to move back and forth without U-turn. Typical modelling based on elastohydrodynamics and undulatory wave propagation were utilized for propulsion analysis. This research presents novel artificial flexible sperm-like nanorobots with delicate self-assembled head-to-tail structures and remarkable bidirectional locomotion performances, indicating significant potentials for nanorobotic design and future biomedical application.
A systematic approach for developing mechanistic models for realistic simulation of cancer cell motion and deformation
Authors: Keshavarz Motamed Pouyan , Maftoon Nima 
Published: November 2021

AbstractUnderstanding and predicting metastatic progression and developing novel diagnostic methods can highly benefit from accurate models of the deformability of cancer cells. Spring-based network models of cells can provide a versatile way of integrating deforming cancer cells with other physical and biochemical phenomena, but these models have parameters that need to be accurately identified. In this study we established a systematic method for identifying parameters of spring-network models of cancer cells. We developed a genetic algorithm and coupled it to the fluid–solid interaction model of the cell, immersed in blood plasma or other fluids, to minimize the difference between numerical and experimental data of cell motion and deformation. We used the method to create a validated model for the human lung cancer cell line (H1975), employing existing experimental data of its deformation in a narrow microchannel constriction considering cell-wall friction. Furthermore, using this validated model with accurately identified parameters, we studied the details of motion and deformation of the cancer cell in the microchannel constriction and the effects of flow rates on them. We found that ignoring the viscosity of the cell membrane and the friction between the cell and wall can introduce remarkable errors.
Toxicity thresholds of nine herbicides to coral symbionts (Symbiodiniaceae)
Authors: Marzonie Magena , Flores Florita , Sadoun Nora , Thomas Marie C. , Valada-Mennuni Anais , Kaserzon Sarit , Mueller Jochen F. , Negri Andrew P. 
Published: November 2021

AbstractOver 30 herbicides have been detected in catchments and waters of the Great Barrier Reef (GBR) and their toxicity to key tropical species, including the coral endosymbiotic algae Symbiodiniaceae, is not generally considered in current water quality guideline values (WQGVs). Mutualistic symbionts of the family Symbiodiniaceae are essential for the survival of scleractinian corals. We tested the effects of nine GBR-relevant herbicides on photosynthetic efficiency (ΔF/Fm′) and specific growth rate (SGR) over 14 days of cultured coral endosymbiont Cladocopium goreaui (formerly Symbiodinium clade C1). All seven Photosystem II (PSII) herbicides tested inhibited ΔF/Fm′ and SGR, with toxicity thresholds for SGR ranging between 2.75 and 320 µg L−1 (no effect concentration) and 2.54–257 µg L−1 (EC10). There was a strong correlation between EC50s for ΔF/Fm′ and SGR for all PSII herbicides indicating that inhibition of ΔF/Fm′ can be considered a biologically relevant toxicity endpoint for PSII herbicides to this species. The non-PSII herbicides haloxyfop and imazapic did not affect ΔF/Fm′ or SGR at the highest concentrations tested. The inclusion of this toxicity data for Symbiodiniaceae will contribute to improving WQGVs to adequately inform risk assessments and the management of herbicides in tropical marine ecosystems.
Salt inducible kinases 2 and 3 are required for thymic T cell development
Authors: Nefla Meriam , Darling Nicola J. , van Gijsel Bonnello Manuel , Cohen Philip , Arthur J. Simon C. 
Published: November 2021

AbstractSalt Inducible Kinases (SIKs), of which there are 3 isoforms, are established to play roles in innate immunity, metabolic control and neuronal function, but their role in adaptive immunity is unknown. To address this gap, we used a combination of SIK knockout and kinase-inactive knock-in mice. The combined loss of SIK1 and SIK2 activity did not block T cell development. Conditional knockout of SIK3 in haemopoietic cells, driven by a Vav-iCre transgene, resulted in a moderate reduction in the numbers of peripheral T cells, but normal B cell numbers. Constitutive knockout of SIK2 combined with conditional knockout of SIK3 in the haemopoietic cells resulted in a severe reduction in peripheral T cells without reducing B cell number. A similar effect was seen when SIK3 deletion was driven via CD4-Cre transgene to delete at the DP stage of T cell development. Analysis of the SIK2/3 Vav-iCre mice showed that thymocyte number was greatly reduced, but development was not blocked completely as indicated by the presence of low numbers CD4 and CD8 single positive cells. SIK2 and SIK3 were not required for rearrangement of the TCRβ locus, or for low level cell surface expression of the TCR complex on the surface of CD4/CD8 double positive thymocytes. In the absence of both SIK2 and SIK3, progression to mature single positive cells was greatly reduced, suggesting a defect in negative and/or positive selection in the thymus. In agreement with an effect on negative selection, increased apoptosis was seen in thymic TCRbeta high/CD5 positive cells from SIK2/3 knockout mice. Together, these results show an important role for SIK2 and SIK3 in thymic T cell development.
Experimental demonstration of confidential communication with quantum security monitoring
Authors: Gong Yupeng , Wonfor Adrian , Hunt Jeffrey H. , White Ian H. , Penty Richard V. 
Published: November 2021

AbstractSecurity issues and attack management of optical communication have come increasingly important. Quantum techniques are explored to secure or protect classical communication. In this paper, we present a method for in-service optical physical layer security monitoring that has vacuum-noise level sensitivity without classical security loopholes. This quantum-based method of eavesdropping detection, similar to that used in conventional pilot tone systems, is achieved by sending quantum signals, here comprised of continuous variable quantum states, i.e. weak coherent states modulated at the quantum level. An experimental demonstration of attack detection using the technique was presented for an ideal fibre tapping attack that taps 1% of the ongoing light in a 10 dB channel, and also an ideal correlated jamming attack in the same channel that maintains the light power with excess noise increased by 0.5 shot noise unit. The quantum monitoring system monitors suspicious changes in the quantum signal with the help of advanced data processing algorithms. In addition, unlike the CV-QKD system which is very sensitive to channel excess noise and receiver system noise, the quantum monitoring is potentially more compatible with current optical infrastructure, as it lowers the system requirements and potentially allows much higher classical data rate communication with links length up to 100 s km.
Single cell transcriptomics reveals the heterogeneity of the human cornea to identify novel markers of the limbus and stroma
Authors: Català Pere , Groen Nathalie , Dehnen Jasmin A. , Soares Eduardo , van Velthoven Arianne J. H. , Nuijts Rudy M. M. A. , Dickman Mor M. , LaPointe Vanessa L. S. 
Published: November 2021

AbstractThe cornea is the clear window that lets light into the eye. It is composed of five layers: epithelium, Bowman’s layer, stroma, Descemet’s membrane and endothelium. The maintenance of its structure and transparency are determined by the functions of the different cell types populating each layer. Attempts to regenerate corneal tissue and understand disease conditions requires knowledge of how cell profiles vary across this heterogeneous tissue. We performed a single cell transcriptomic profiling of 19,472 cells isolated from eight healthy donor corneas. Our analysis delineates the heterogeneity of the corneal layers by identifying cell populations and revealing cell states that contribute in preserving corneal homeostasis. We identified expression of CAV1, HOMER3 and CPVL in the corneal epithelial limbal stem cell niche, CKS2, STMN1 and UBE2C were exclusively expressed in highly proliferative transit amplifying cells, CXCL14 was expressed exclusively in the suprabasal/superficial limbus, and NNMT was exclusively expressed by stromal keratocytes. Overall, this research provides a basis to improve current primary cell expansion protocols, for future profiling of corneal disease states, to help guide pluripotent stem cells into different corneal lineages, and to understand how engineered substrates affect corneal cells to improve regenerative therapies.
The rumen microbiome inhibits methane formation through dietary choline supplementation
Authors: Li Yang , Kreuzer Michael , Clayssen Quentin , Ebert Marc-Olivier , Ruscheweyh Hans-Joachim , Sunagawa Shinichi , Kunz Carmen , Attwood Graeme , Amelchanka Sergej , Terranova Melissa 
Published: November 2021

AbstractEnteric fermentation from ruminants is a primary source of anthropogenic methane emission. This study aims to add another approach for methane mitigation by manipulation of the rumen microbiome. Effects of choline supplementation on methane formation were quantified in vitro using the Rumen Simulation Technique. Supplementing 200 mM of choline chloride or choline bicarbonate reduced methane emissions by 97–100% after 15 days. Associated with the reduction of methane formation, metabolomics analysis revealed high post-treatment concentrations of ethanol, which likely served as a major hydrogen sink. Metagenome sequencing showed that the methanogen community was almost entirely lost, and choline-utilizing bacteria that can produce either lactate, ethanol or formate as hydrogen sinks were enriched. The taxa most strongly associated with methane mitigation wereMegasphaera elsdeniiandDenitrobacterium detoxificans, both capable of consuming lactate, which is an intermediate product and hydrogen sink. Accordingly, choline metabolism promoted the capability of bacteria to utilize alternative hydrogen sinks leading to a decline of hydrogen as a substrate for methane formation. However, fermentation of fibre and total organic matter could not be fully maintained with choline supplementation, while amino acid deamination and ethanolamine catabolism produced excessive ammonia, which would reduce feed efficiency and adversely affect live animal performance.
Real-time detection of particleboard surface defects based on improved YOLOV5 target detection
Authors: Zhao Ziyu , Yang Xiaoxia , Zhou Yucheng , Sun Qinqian , Ge Zhedong , Liu Dongfang 
Published: November 2021

AbstractParticleboard surface defect detection technology is of great significance to the automation of particleboard detection, but the current detection technology has disadvantages such as low accuracy and poor real-time performance. Therefore, this paper proposes an improved lightweight detection method of You Only Live Once v5 (YOLOv5), namely PB-YOLOv5 (Particle Board-YOLOv5). Firstly, the gamma-ray transform method and the image difference method are combined to deal with the uneven illumination of the acquired images, so that the uneven illumination is well corrected. Secondly, Ghost Bottleneck lightweight deep convolution module is added to Backbone module and Neck module of YOLOv5 detection algorithm to reduce model volume. Thirdly, the SELayer module of attention mechanism is added into Backbone module. Finally, replace Conv in Neck module with depthwise convolution (DWConv) to compress network parameters. The experimental results show that the PB-YOLOv5 model proposed in this paper can accurately identify five types of defects on the particleboard surface: Bigshavings, SandLeakage, GlueSpot, Soft and OliPollution, and meet the real-time requirements. Specifically, recall, F1 score, mAP@.5, mAP@.5:.95 values of pB-Yolov5s model were 91.22%, 94.5%, 92.1%, 92.8% and 67.8%, respectively. The results of Soft defects were 92.8%, 97.9%, 95.3%, 99.0% and 81.7%, respectively. The detection of single image time of the model is only 0.031 s, and the weight size of the model is only 5.4 MB. Compared with the original YOLOv5s, YOLOv4, YOLOv3 and Faster RCNN, the PB-Yolov5s model has the fastest Detection of single image time. The Detection of single image time was accelerated by 34.0%, 55.1%, 64.4% and 87.9%, and the weight size of the model is compressed by 62.5%, 97.7%, 97.8% and 98.9%, respectively. The mAP value increased by 2.3%, 4.69%, 7.98% and 13.05%, respectively. The results show that the PB-YOLOV5 model proposed in this paper can realize the rapid and accurate detection of particleboard surface defects, and fully meet the requirements of lightweight embedded model.
Many-body and temperature effects in two-dimensional quantum droplets in Bose–Bose mixtures
Authors: Boudjemâa Abdelâali 
Published: November 2021

AbstractWe study the equilibrium properties of self-bound droplets in two-dimensional Bose mixtures employing the time-dependent Hartree–Fock–Bogoliubov theory. This theory allows one to understand both the many-body and temperature effects beyond the Lee–Huang–Yang description. We calculate higher-order corrections to the excitations, the sound velocity, and the energy of the droplet. Our results for the ground-state energy are compared with the diffusion Monte Carlo data and good agreement is found. The behavior of the depletion and anomalous density of the droplet is also discussed. At finite temperature, we show that the droplet emerges at temperatures well below the Berezinskii–Kosterlitz–Thouless transition temperature. The critical temperature strongly depends on the interspecies interactions. Our study is extended to the finite size droplet by numerically solving the generalized finite-temperature Gross-Pitaevskii equation which is obtained self-consistently from our formalism in the framework of the local density approximation.
Acute objective and subjective intoxication effects of legal-market high potency THC-dominant versus CBD-dominant cannabis concentrates
Authors: Drennan M. L. , Karoly H. C. , Bryan A. D. , Hutchison K. E. , Bidwell L. C. 
Published: November 2021

AbstractAs the market for cannabis concentrate products grows, the lack of research regarding the effects of concentrated THC and CBD becomes more glaring. The present study analyzes cannabinoid blood levels and subjective outcomes of physical sensation and affective state after ad libitum use of legal-market concentrate products. Recreational cannabis users were randomly assigned to THC- or CBD-dominant concentrate products, completing a baseline session, and an experimental mobile laboratory session consisting of timepoints before, immediately after, and one-hour after concentrate use. THC-dominant concentrates induced higher intoxication, and higher ratings of drug effect and drug liking than the CBD-dominant concentrate. Both products induced immediate feelings of elation, diminishing over the subsequent hour. Subjective outcomes in the CBD-dominant group revealed immediate decreases in tension and anxiety relative to pre-use, while the THC-dominant group only saw significant decreases in anxiety after one hour. Paranoia spiked immediately post-use in THC-dominant concentrate users, returning to baseline within an hour. Overall, the CBD-dominant concentrate invoked positive mood effects, lower intoxication and an absence of undesirable effects experienced with the THC-dominant concentrate, potentially mitigating negative effects when combined. Results support the need for further investigation into harm-reduction potential of concentrated CBD when used alone and with THC.