bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistic insights into highly active reconstructed edges of monolayer 2H-WSe2 photocatalyst
Authors: Qorbani Mohammad , Sabbah Amr , Lai Ying-Ren , Kholimatussadiah Septia , Quadir Shaham , Huang Chih-Yang , Shown Indrajit , Huang Yi-Fan , Hayashi Michitoshi , Chen Kuei-Hsien , Chen Li-Chyong 
Published: March 2022

AbstractAscertaining the function of in-plane intrinsic defects and edge atoms is necessary for developing efficient low-dimensional photocatalysts. We report the wireless photocatalytic CO2 reduction to CH4 over reconstructed edge atoms of monolayer 2H-WSe2 artificial leaves. Our first-principles calculations demonstrate that reconstructed and imperfect edge configurations enable CO2 binding to form linear and bent molecules. Experimental results show that the solar-to-fuel quantum efficiency is a reciprocal function of the flake size. It also indicates that the consumed electron rate per edge atom is two orders of magnitude larger than the in-plane intrinsic defects. Further, nanoscale redox mapping at the monolayer WSe2–liquid interface confirms that the edge is the most preferred region for charge transfer. Our results pave the way for designing a new class of monolayer transition metal dichalcogenides with reconstructed edges as a non-precious co-catalyst for wired or wireless hydrogen evolution or CO2 reduction reactions.
Ab initio mechanism revealing for tricalcium silicate dissolution
Authors: Li Yunjian , Pan Hui , Liu Qing , Ming Xing , Li Zongjin 
Published: March 2022

AbstractDissolution of minerals in water is ubiquitous in nature and industry, especially for the calcium silicate species. However, the behavior of such a complex chemical reaction is still unclear at atomic level. Here, we show that the ab initio molecular dynamics and metadynamics simulations enable quantitative analyses of reaction pathways, thermodynamics and kinetics of the calcium ion dissolution from the tricalcium silicate (Ca3SiO5) surface. The calcium sites with different coordination environments lead to different reaction pathways and free energy barriers. The low free energy barriers result in that the detachment of the calcium ion is a ligand exchange and auto-catalytic process. Moreover, the water adsorption, proton exchange and diffusion of water into the surface layer accelerate the leaching of the calcium ion from the surface step by step. The discovery in this work thus would be a landmark for revealing the mechanism of tricalcium silicate hydration.
An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway
Authors: Meng Fuhui , Xiao Yang , Ji Yujia , Sun Ziyi , Zhou Xiaoming 
Published: March 2022

AbstractThe sigma-1 receptor (σ1R) is a non-opioid transmembrane receptor which has been implicated in many diseases, including neurodegenerative disorders and cancer. After more than forty years of research, substantial progress has been made in understanding this unique receptor, yet the molecular mechanism of its ligand entry pathway remains uncertain. Published structures of human σ1R reveal its homotrimeric organization of a cupin-fold β-barrel body that contains the ligand binding site, a carboxy-terminal V-shaped two-helix bundle, and a single amino-terminal transmembrane helix, while simulation studies have suggested a ligand entry pathway that is generated by conformational rearrangements of the cupin-fold domain. Here, we present multiple crystal structures, including an open-like conformation, of σ1R from Xenopus laevis. Together with functional binding analysis our data suggest that access to the σ1R ligand binding site is likely achieved by protein conformational changes that involve the carboxy-terminal two-helix bundle, rather than structural changes in the cupin-fold domain.
Switching magnon chirality in artificial ferrimagnet
Authors: Liu Yahui , Xu Zhengmeng , Liu Lin , Zhang Kai , Meng Yang , Sun Yuanwei , Gao Peng , Zhao Hong-Wu , Niu Qian , Li J. 
Published: March 2022

AbstractChirality, an intrinsic degree of freedom, has been barely exploited as the information carriers in data transmission, processing, computing, etc. Recently the magnons in antiferromagnets were proposed to carry both right-handed and left-handed chiralities, shedding a light on chirality-based spintronics in which chirality-based computing architectures and chiral magnonic devices may become feasible. However, the practical platform for chirality-based spintronics remains absent yet. Here we report an artificial ferrimagnetic Py/Gd/Py/Gd/Py/Pt multilayer by which the switching, reading, and modulation of magnon chirality are demonstrated. In particular, the coexisting resonance modes of ferromagnetic and antiferromagnetic characteristics permit the high adjustability and easy control of magnon chirality. As a main result, we unambiguously demonstrated that Py precessions with opposite chiralities pump spin currents of opposite spin polarizations into the Pt layer. Our result manifests the chirality as an independent degree of freedom and illustrates a practical magnonic platform for exploiting chirality, paving the way for chirality-based spintronics.
Highly stable flexible pressure sensors with a quasi-homogeneous composition and interlinked interfaces
Authors: Zhang Yuan , Yang Junlong , Hou Xingyu , Li Gang , Wang Liu , Bai Ningning , Cai Minkun , Zhao Lingyu , Wang Yan , Zhang Jianming , Chen Ke , Wu Xiang , Yang Canhui , Dai Yuan , Zhang Zhengyou , Guo Chuan Fei 
Published: March 2022

AbstractElectronic skins (e-skins) are devices that can respond to mechanical stimuli and enable robots to perceive their surroundings. A great challenge for existing e-skins is that they may easily fail under extreme mechanical conditions due to their multilayered architecture with mechanical mismatch and weak adhesion between the interlayers. Here we report a flexible pressure sensor with tough interfaces enabled by two strategies: quasi-homogeneous composition that ensures mechanical match of interlayers, and interlinked microconed interface that results in a high interfacial toughness of 390 J·m−2. The tough interface endows the sensor with exceptional signal stability determined by performing 100,000 cycles of rubbing, and fixing the sensor on a car tread and driving 2.6 km on an asphalt road. The topological interlinks can be further extended to soft robot-sensor integration, enabling a seamless interface between the sensor and robot for highly stable sensing performance during manipulation tasks under complicated mechanical conditions.
Frequency chasing of individual megadalton ions in an Orbitrap analyser improves precision of analysis in single-molecule mass spectrometry
Authors: Wörner Tobias P. , Aizikov Konstantin , Snijder Joost , Fort Kyle L. , Makarov Alexander A. , Heck Albert J. R. 
Published: March 2022

AbstractTo enhance the performance of charge-detection mass spectrometry, we investigated the behaviour of macromolecular single ions on their paths towards and within the Orbitrap analyser. Ions with a mass beyond one megadalton reach a plateau of stability and can be successfully trapped for seconds, travelling a path length of multiple kilometres, thereby enabling precise mass analysis with an effective resolution of greater than 100,000 at a mass-to-charge ratio of 35,000. Through monitoring the frequency of individual ions, we show that these high-mass ions, rather than being lost from the trap, can gradually lose residual solvent molecules and, in rare cases, a single elementary charge. We also demonstrate that the frequency drift of single ions due to desolvation and charge stripping can be corrected, which improves the effective ion sampling 23-fold and gives a twofold improvement in mass precision and resolution.
Physiological benefits of lung recruitment in the semi-lateral position after laparoscopic surgery: a randomized controlled study
Authors: Oh Eun Jung , Lee Eun Ji , Heo Burn-young , Huh Jin , Min Jeong-Jin 
Published: March 2022

AbstractWe evaluated the physiological benefits of performing lung recruitment maneuver (LRM) in the semi-lateral position compared in the supine position. Seventy-nine patients undergoing laparoscopic prostatectomy were randomly assigned to either the supine or semi-lateral group according to body position during the LRM. At the end of surgery, LRM (35 cmH2O for 20 s) was performed twice in the assigned posture. The primary outcome was the maximal decrease in systolic arterial pressure during LRM. Secondary outcomes were changes in PaO2/FiO2 and the regional lung volume distribution after LRM. The decrease in systolic arterial pressure during the LRM was significantly higher in the supine group than in the semi-lateral group (mean ± standard deviation, [−] 27.6 ± 14.6% vs. [−] 18.6 ± 9.9%, P = 0.001). Improvement in PaO2/FiO2 ratio after the LRM was evident in both groups but was more prominent in the semi-lateral group than in the supine group (median [interquartile range], 39.3% [20.2, 63.6] vs. 18.2% [8.4, 29.2], P = 0.001). Among the horizontal lung divisions, regional lung volume in the most dependent portion (the dorsal division) was significantly increased after the LRM only in the semi-lateral group (P = 0.024). Performing lung recruitment in a semi-lateral position protected against hemodynamic deterioration during the LRM and increased regional lung ventilation in the dependent portion of the lung, leading to an improvement in arterial oxygenation after laparoscopic procedures.Trial registration Clinical Research Information Service (https://cris.nih.go.kr/). Identifier: KCT0003756.
Network flow and flood routing model for water resources optimization
Authors: Tahiri Ayoub , Che Daniel , Ladeveze David , Chiron Pascale , Archimède Bernard 
Published: March 2022

AbstractReal-time management of hydraulic systems composed of multi-reservoir involves conflicting objectives. Its representation requires complex variables to consider all the systems dynamics. Interfacing simulation model with optimization algorithm permits to integrate flow routing into reservoir operation decisions and consists in solving separately hydraulic and operational constraints, but it requires that the water resource management model is based on an evolutionary algorithm. Considering channel routing in optimization algorithm can be done using conceptual models such as the Muskingum model. However, the structure of algorithms based on a network flow approach, inhibits the integration of the Muskingum model in the approach formulation. In this work, a flood routing model, corresponding to a singular form of the Muskingum model, constructed as a network flow is proposed and integrated into the water management optimization. A genetic algorithm is involved for the calibration of the model. The proposed flood routing model was applied on the standard Wilson test and on a 40 km reach of the Arrats river (southwest of France). The results were compared with the results of the Muskingum model. Finally, operational results for a water resource management system including this model are illustrated on a rainfall event.
Motion illusion-like patterns extracted from photo and art images using predictive deep neural networks
Authors: Kobayashi Taisuke , Kitaoka Akiyoshi , Kosaka Manabu , Tanaka Kenta , Watanabe Eiji 
Published: March 2022

AbstractIn our previous study, we successfully reproduced the illusory motion perceived in the rotating snakes illusion using deep neural networks incorporating predictive coding theory. In the present study, we further examined the properties of the network using a set of 1500 images, including ordinary static images of paintings and photographs and images of various types of motion illusions. Results showed that the networks clearly classified a group of illusory images and others and reproduced illusory motions against various types of illusions similar to human perception. Notably, the networks occasionally detected anomalous motion vectors, even in ordinally static images where humans were unable to perceive any illusory motion. Additionally, illusion-like designs with repeating patterns were generated using areas where anomalous vectors were detected, and psychophysical experiments were conducted, in which illusory motion perception in the generated designs was detected. The observed inaccuracy of the networks will provide useful information for further understanding information processing associated with human vision.
Droplet nuclei caustic formations in exhaled vortex rings
Authors: Papoutsakis Andreas , Danaila Ionut , Luddens Francky , Gavaises Manolis 
Published: March 2022

AbstractVortex ring (VR) structures occur in light or hoarse cough configurations. These instances consist of short impulses of exhaled air resulting to a self-contained structure that can travel large distances. The present study is the first implementation of the second order Fully Lagrangian Approach (FLA) for three-dimensional realistic flow-fields obtained by means of Computational Fluid Dynamics (CFD) and provides a method to calculate the occurrence and the intensity of caustic formations. The carrier phase flow field is resolved by means of second order accurate Direct Numerical Simulation (DNS) based on a Finite Difference approach for the momentum equations, while a spectral approach is followed for the Poisson equation using Fast Fourier Transform (FFT). The effect of the undulations of the carrier phase velocity due to large scale vortical structures and turbulence is investigated. The evaluation of the higher order derivatives needed by the second order FLA is achieved by pre-fabricated least squares second order interpolations in three dimensions. This method allows for the simulation of the clustering of droplets and droplet nuclei exhaled in ambient air in conditions akin to light cough. Given the ambiguous conditions of vortex-ring formation during cough instances, three different exhale (injection) parameters n are assumed, i.e. under-developed ($$n=2$$

n
=
2

), ideal ($$n=3.7$$

n
=
3.7

) and over-developed ($$n=6$$

n
=
6

) vortex rings. The formation of clusters results in the spatial variance of the airborne viral load. This un-mixing of exhumed aerosols is related to the formation of localised high viral load distributions that can be linked to super-spreading events.
Probing elastic anisotropy of human skin in vivo with light using non-contact acoustic micro-tapping OCE and polarization sensitive OCT
Authors: Kirby Mitchell A. , Tang Peijun , Liou Hong-Cin , Kuriakose Maju , Pitre John J. , Pham Tam N. , Ettinger Russell E. , Wang Ruikang K. , O’Donnell Matthew , Pelivanov Ivan 
Published: March 2022

AbstractSkin broadly protects the human body from undesired factors such as ultraviolet radiation and abrasion and helps conserve body temperature and hydration. Skin’s elasticity and its level of anisotropy are key to its aesthetics and function. Currently, however, treatment success is often speculative and subjective, and is rarely based on skin’s elastic properties because there is no fast and accurate non-contact method for imaging of skin’s elasticity. Here we report on a non-contact and non-invasive method to image and characterize skin’s elastic anisotropy. It combines acoustic micro-tapping optical coherence elastography (AμT-OCE) with a nearly incompressible transversely isotropic (NITI) model to quantify skin’s elastic moduli. In addition, skin sites were imaged with polarization sensitive optical coherence tomography (PS-OCT) to help define fiber orientation. Forearm skin areas were investigated in five volunteers. Results clearly demonstrate elastic anisotropy of skin in all subjects. AμT-OCE has distinct advantages over competitive techniques because it provides objective, quantitative characterization of skin’s elasticity without contact, which opens the door for broad translation into clinical use. Finally, we demonstrate that a combination of multiple OCT modalities (structural OCT, OCT angiography, PS-OCT and AμT-OCE) may provide rich information about skin and can be used to characterize scar.
Valosin-containing protein-regulated endoplasmic reticulum stress causes NOD2-dependent inflammatory responses
Authors: Ghalandary Maryam , Li Yue , Fröhlich Thomas , Magg Thomas , Liu Yanshan , Rohlfs Meino , Hollizeck Sebastian , Conca Raffaele , Schwerd Tobias , Uhlig Holm H. , Bufler Philip , Koletzko Sibylle , Muise Aleixo M. , Snapper Scott B. , Hauck Fabian , Klein Christoph , Kotlarz Daniel 
Published: March 2022

AbstractNOD2 polymorphisms may affect sensing of the bacterial muramyl dipeptide (MDP) and trigger perturbed inflammatory responses. Genetic screening of a patient with immunodeficiency and enteropathy revealed a rare homozygous missense mutation in the first CARD domain of NOD2 (ENST00000300589; c.160G > A, p.E54K). Biochemical assays confirmed impaired NOD2-dependent signaling and proinflammatory cytokine production in patient’s cells and heterologous cellular models with overexpression of the NOD2 mutant. Immunoprecipitation-coupled mass spectrometry unveiled the ATPase valosin-containing protein (VCP) as novel interaction partner of wildtype NOD2, while the binding to the NOD2 variant p.E54K was abrogated. Knockdown of VCP in coloncarcinoma cells led to impaired NF-κB activity andIL8expression upon MDP stimulation. In contrast, tunicamycin-induced ER stress resulted in increasedIL8, CXCL1,andCXCL2production in cells with knockdown of VCP, while enhanced expression of these proinflammatory molecules was abolished upon knockout of NOD2. Taken together, these data suggest that VCP-mediated inflammatory responses upon ER stress are NOD2-dependent.
Melanoma segmentation using deep learning with test-time augmentations and conditional random fields
Authors: Ashraf Hassan , Waris Asim , Ghafoor Muhammad Fazeel , Gilani Syed Omer , Niazi Imran Khan 
Published: March 2022

AbstractIn a computer-aided diagnostic (CAD) system for skin lesion segmentation, variations in shape and size of the skin lesion makes the segmentation task more challenging. Lesion segmentation is an initial step in CAD schemes as it leads to low error rates in quantification of the structure, boundary, and scale of the skin lesion. Subjective clinical assessment of the skin lesion segmentation results provided by current state-of-the-art deep learning segmentation techniques does not offer the required results as per the inter-observer agreement of expert dermatologists. This study proposes a novel deep learning-based, fully automated approach to skin lesion segmentation, including sophisticated pre and postprocessing approaches. We use three deep learning models, including UNet, deep residual U-Net (ResUNet), and improved ResUNet (ResUNet++). The preprocessing phase combines morphological filters with an inpainting algorithm to eliminate unnecessary hair structures from the dermoscopic images. Finally, we used test time augmentation (TTA) and conditional random field (CRF) in the postprocessing stage to improve segmentation accuracy. The proposed method was trained and evaluated on ISIC-2016 and ISIC-2017 skin lesion datasets. It achieved an average Jaccard Index of 85.96% and 80.05% for ISIC-2016 and ISIC-2017 datasets, when trained individually. When trained on combined dataset (ISIC-2016 and ISIC-2017), the proposed method achieved an average Jaccard Index of 80.73% and 90.02% on ISIC-2017 and ISIC-2016 testing datasets. The proposed methodological framework can be used to design a fully automated computer-aided skin lesion diagnostic system due to its high scalability and robustness.
Gain enhancement of BiCMOS on-chip sub-THz antennas by mean of meta-cells
Authors: Stocchi Matteo , Cao Zhibo , Joseph Christopher Hardly , Voss Thomas , Mencarelli Davide , Pierantoni Luca , Kaynak Canan Baristiran , Hebeler Joachim , Zwick Thomas , Wietstruck Matthias , Kaynak Mehmet 
Published: March 2022

AbstractA MM-loaded sub-THz on-chip antenna with a narrow beamwidth, 9 dB gain and a simulated peak efficiency of 76% at the center frequency of 300 GHz is presented. By surrounding the antenna with a single MM-cell ring defined solely on the top metal of the back-end of line, an efficient suppression of the surface waves is obtained. The on-chip antenna has been designed using IHPs 130 nm SiGe BiCMOS technology with a 7-layer metallization stack, combined with the local backside etching process aimed to creating an air cavity which is then terminated by a reflective plane. By comparing the measured MM-loaded antenna performances to its non-MM-loaded counterpart, an enhanced integrity of the main lobe due to the MM-cells shielding effect can be observed. An excellent agreement between the simulated and measured performances has been found, which makes the MM-loaded antennas a valid alternative for the upcoming next-generation sub-THz transceivers.
Establishing a jugular-femoral venous route for recanalization of complicated inferior vena cava in Budd–Chiari Syndrome after transfemoral access failure
Authors: Bi Yonghua , Wu Zhengyang , Yi Mengfei , Han Xinwei , Ren Jianzhuang 
Published: March 2022

AbstractRecanalization of inferior vena cava (IVC) with complete obstruction, old thrombosis or long segmental stenosis/obstruction (complicated IVC) via transfemoral access may fail in patients with Budd-Chiari syndrome (BCS). In this study, 34 consecutive patients with BCS underwent recanalization of complicated IVC occlusion via jugular-femoral venous (JFV) route establishment. BCS with complicated IVC was detected by reviewing preoperative color Doppler ultrasonography or computed tomography (CT) venography, and confirmed by intraoperative venography. Clinical data on technical success, complications, and follow-up outcomes were analyzed. Except for one patient received surgical repair of rupture IVC after recanalization, technical success of IVC recanalization was achieved in remaining 33 (97.1%) patients. No perioperative deaths was found. Three complications were observed during recanalization, for a complication rate of 8.8%. Bleeding of the femoral vein was observed in one patient, and two patients showed bleeding of IVC. The IVC lesion diameter and blood flow of the distal IVC increased significantly after the procedure. Twenty-four patients (77.4%) were clinically cured, and four patients (12.9%) showed clinical improvement. The 1-year, 3-year, 5-year primary patency rates were 85.9%, 76.4% and 70.0%, respectively. The 5-year secondary patency rate was 96.8%. There were three deaths during follow up, and the 5-year survival rate was 90.0%. In conclusion, JFV route establishment and angioplasty for complicated IVC is safe and effective for patients with BCS after transfemoral access failure.
A clarification of the nuances in the fairness metrics landscape
Authors: Castelnovo Alessandro , Crupi Riccardo , Greco Greta , Regoli Daniele , Penco Ilaria Giuseppina , Cosentini Andrea Claudio 
Published: March 2022

AbstractIn recent years, the problem of addressing fairness in machine learning (ML) and automatic decision making has attracted a lot of attention in the scientific communities dealing with artificial intelligence. A plethora of different definitions of fairness in ML have been proposed, that consider different notions of what is a “fair decision” in situations impacting individuals in the population. The precise differences, implications and “orthogonality” between these notions have not yet been fully analyzed in the literature. In this work, we try to make some order out of this zoo of definitions.