bluuebunny/crossref_metadata_2025_split huggingface dataset:
Physiologically personalized coronary blood flow model to improve the estimation of noninvasive fractional flow reserve
Authors: Liu Xiujian , Xu Chuangye , Rao Simin , Zhang Ye , Ghista Dhanjoo , Gao Zhifan , Yang Guang 
Published: November 2021

AbstractPurposeCoronary outlet resistance is influenced by the quantification and distribution of resting coronary blood flow. It is crucial for a more physiologically accurate estimation of fractional flow reserve (FFR) derived from computed tomography angiography (CTA), referred to as FFRCT. This study presents a physiologically personalized (PP)‐based coronary blood flow model involving the outlet boundary condition (BC) and a standardized outlet truncation strategy to estimate the outlet resistance and FFRCT.MethodsIn this study, a total of 274 vessels were retrospectively collected from 221 patients who underwent coronary CTA and invasive FFR within 14 days. For FFRCT determination, we have employed a PP‐based outlet BC model involving personalized physiological parameters and left ventricular mass (LVM) to quantify resting coronary blood flow. We evaluated the improvement achieved in the diagnostic performance of FFRCT by using the PP‐based outlet BC model relative to the LVM‐based model, with respect to the invasive FFR. Additionally, in order to evaluate the impact of the outlet truncation strategy on FFRCT, 68 vessels were randomly selected and analyzed independently by two operators, by using two different outlet truncation strategies at 1‐month intervals.ResultsThe per‐vessel diagnostic performance of the PP‐based outlet BC model was improved, based on invasive FFR as reference, compared to the LVM‐based model: (i) accuracy/sensitivity/specificity: 91.2%/90.4%/91.8% versus 86.5%/84.6%/87.6%, for the entire dataset of 274 vessels, (ii) accuracy/sensitivity/specificity: 88.7%/82.4%/90.4% versus 82.4%/ 76.5%/84.0%, for moderately stenosis lesions. The standardized outlet truncation strategy showed good repeatability with the Kappa coefficient of 0.908.ConclusionsIt has been shown that our PP‐based outlet BC model and standardized outlet truncation strategy can improve the diagnostic performance and repeatability of FFRCT.
Simultaneous comprehensive liver T1, T2, , T1ρ, and fat fraction characterization with MR fingerprinting
Authors: Velasco Carlos , Cruz Gastão , Jaubert Olivier , Lavin Begoña , Botnar René M. , Prieto Claudia 
Published: November 2021

PurposeTo develop a novel simultaneous co‐registered T1, T2, , T1ρ, and fat fraction abdominal MR fingerprinting (MRF) approach for fully comprehensive liver‐tissue characterization in a single breath‐hold scan.MethodsA gradient‐echo liver MRF sequence with low fixed flip angle, multi‐echo radial readout, and varying magnetization preparation pulses for multiparametric encoding is performed at 1.5 T. The and fat fraction are estimated from a graph/cut water/fat separation method using a six‐peak fat model. Water/fat singular images obtained are then matched to an MRF dictionary, estimating water‐specific T1, T2, and T1ρ. The proposed approach was tested in phantoms and 10 healthy subjects and compared against conventional sequences.ResultsFor the phantom studies, linear fits show excellent coefficients of determination (r2 > 0.9) for every parametric map. For in vivo studies, the average values measured within regions of interest drawn on liver, spleen, muscle, and fat are statistically different from the reference scans (p < 0.05) for T1, T2, and T1⍴ but not for and fat fraction, whereas correlation between MRF and reference scans is excellent for each parameter (r2 > 0.92 for every parameter).ConclusionThe proposed multi‐echo inversion‐recovery, T2, and T1⍴ prepared liver MRF sequence presented in this work allows for quantitative T1, T2, , T1⍴, and fat fraction liver‐tissue characterization in a single breath‐hold scan of 18 seconds. The approach showed good agreement and correlation with respect to reference clinical maps.
Proposal of a modified optimality criteria method for topology optimization analysis in 3‐dimensional dynamic oscillation problems
Authors: Kishida Masayuki , Kurahashi Takahiko 
Published: November 2021

AbstractTopology optimization based on the density method commonly employs the optimality criteria (OC) method. However, this method needs certain arbitrary parameters to be set, and the results will depend on those parameters. We propose a modified OC method that does not require those parameters. Our proposed method was developed based on the concept of Newton's method. The optimization problem is to minimize the strain energy. In this article, we perform topology optimization analysis for the 2‐dimensional static problem, the 3‐dimensional static problem, and the 3‐dimensional dynamic oscillation problem. Topology optimization for the 2‐dimensional static problem is used to confirm the usefulness and reliability of the proposed method, and finally topology optimization for the 3‐dimensional dynamic oscillation problem is performed. In the dynamic oscillation problem, in order to derive the self‐adjoint, the strain energy is regarded as the work, and is formulated separately for when it takes positive and negative values. The results of topology optimization for the 2‐dimensional static problem demonstrate that our proposed method does not depend on the setting of arbitrary parameters. In conclusion, this article shows that in the three problems, our proposed method can quickly produce clearer results than the conventional OC method.
Weak enforcement of interface continuity and generalized periodicity in high‐order electromechanical problems
Authors: Barceló‐Mercader Jordi , Codony David , Fernández‐Méndez Sonia , Arias Irene 
Published: November 2021

AbstractWe present a formulation for the weak enforcement of continuity conditions at material interfaces in high‐order problems by means of Nitsche's method, which is particularly suited for unfitted discretizations. This formulation is extended to impose generalized periodicity conditions at the unit cell boundaries of periodic structures. The formulation is derived for flexoelectricity, a high‐order electromechanical coupling between strain gradient and electric field, mathematically modeled as a coupled system of fourth‐order PDEs. The design of flexoelectric devices requires the solution of high‐order boundary value problems on complex material architectures, including general multimaterial arrangements. This can be efficiently achieved with an immersed boundary B‐splines approach. Furthermore, the design of flexoelectric metamaterials also involves the analysis of periodic unit cells with generalized periodicity conditions. Optimal high‐order convergence rates are obtained with an unfitted B‐spline approximation, confirming the reliability of the method. The numerical simulations illustrate the usefulness of the proposed approach toward the design of functional electromechanical multimaterial devices and metamaterials harnessing the flexoelectric effect.
Ambivalent heroism? – Psychological burden and suicidal ideation among nurses during the Covid‐19 pandemic
Authors: Höller Inken , Forkmann Thomas 
Published: November 2021

AbstractAimDuring the Covid‐19 pandemic, the risk for nurses’ mental health has rapidly increased. The two main goals of this study were the examination of (1) the psychological burden and (2) of suicidal ideation and its associated risk factors one year after the Covid‐19 pandemic begun.DesignThis was a cross‐sectional online survey.MethodsN = 1311 nurses (96.9% female) aged 18–63 years (M = 30.96, SD = 8.48) were assessed for various symptoms of psychological burden, suicidal ideation and behaviour and its risk factors.ResultsAlmost half of participants (41.5%) reported heightened levels of depressive symptoms, 691 (52.7%) reported a medium to high risk for burnout. One fifth of participants (21.7%) reported suicidal ideation in the past 4 weeks. The direct contact to people with Covid‐19 was not related to the extent of the psychological burden. Depression, agitation, perceived burdensomeness and previous suicide attempt were associated with suicidal ideation.
Solar cell efficiency tables (version 59)
Authors: Green Martin A. , Dunlop Ewan D. , Hohl‐Ebinger Jochen , Yoshita Masahiro , Kopidakis Nikos , Hao Xiaojing 
Published: November 2021

AbstractConsolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, and new entries since June 2021 are reviewed.
Plasma proteome profiling using tandem mass tag labeling technology reveals potential biomarkers for Parkinson's disease: a preliminary study
Authors: Zhao Yuan , Zhang Yidan , Zhang Jian , Yang Guofeng 
Published: November 2021

AbstractPurposeParkinson's disease (PD) is the second most frequently occurring progressive neurodegenerative disorder. Biomarkers are useful indicators for tracking disease progression, early diagnosis, and intervention of disease progression. We aimed to develop plasma biomarker panel which maybe aid to predict the onset and progression of PD.Experimental DesignTandem mass tag (TMT) mass spectrometry was applied using an Orbitrap Lumos mass spectrometer to analyze plasma protein expression in patients diagnosed with PD and healthy controls.ResultsIn total, 555 proteins were quantified. Using a cut‐off of p < 0.05 and a fold change of >1.2 for the variation in expression, 25 proteins were differentially expressed between the PD and control groups. Sixteen proteins were upregulated and nine were downregulated. Several proteins, including Chitinase‐3‐like protein 1 (CHI3L1) and thymosin beta‐4 (TMSB4X) were implicated in PD pathogenesis.ConclusionsThe data from the TMT‐based proteomic profiling of plasma samples in PD may help advance the understanding of the molecular mechanisms of PD and identify potential novel biomarkers of PD for further characterization.
Reconstitution and use of highly active human CDK1:Cyclin‐B:CKS1 complexes
Authors: Huis in 't Veld Pim J. , Wohlgemuth Sabine , Koerner Carolin , Müller Franziska , Janning Petra , Musacchio Andrea 
Published: November 2021

AbstractAs dividing cells transition into mitosis, hundreds of proteins are phosphorylated by a complex of cyclin‐dependent kinase 1 (CDK1) and Cyclin‐B, often at multiple sites. CDK1:Cyclin‐B phosphorylation patterns alter conformations, interaction partners, and enzymatic activities of target proteins and need to be recapitulated in vitro for the structural and functional characterization of the mitotic protein machinery. This requires a pure and active recombinant kinase complex. The kinase activity of CDK1 critically depends on the phosphorylation of a Threonine residue in its activation loop by a CDK1‐activating kinase (CAK). We developed protocols to activate CDK1:Cyclin‐B either in vitro with purified CAKs or in insect cells through CDK‐CAK co‐expression. To boost kinase processivity, we reconstituted a ternary complex consisting of CDK1, Cyclin‐B, and CKS1. In this work, we provide and compare detailed protocols to obtain and use highly active CDK1:Cyclin‐B (CC) and CDK1:Cyclin‐B:CKS1 (CCC).
Analysis of protein–ligand interactions from titrations and nuclear magnetic resonance relaxation dispersions
Authors: Björklund Emil , du Rietz Anna , Lundström Patrik 
Published: November 2021

AbstractWe present PLIS, a publicly available, open‐source software for the determination of protein–ligand dissociation constants that can be used to characterize biological processes or to shed light on biophysical aspects of interactions. PLIS can analyze data from titration experiments monitored by for instance fluorescence spectroscopy or from nuclear magnetic resonance relaxation dispersion experiments. In addition to analysis of experimental data, PLIS includes functionality for generation of synthetic data, useful for understanding how different parameters effect the data in order to better analyze experiments.
Two different kinds of interaction modes of deaminase APOBEC3A with single‐stranded DNA in solution detected by nuclear magnetic resonance
Authors: Liu Yaping , Lan Wenxian , Wang Chunxi , Cao Chunyang 
Published: November 2021

AbstractAPOBEC3A (A3A) deaminates deoxycytidine in target motif TC in a single‐stranded DNA (we termed it as TC DNA), which mortally mutates viral pathogens and immunoglobulins, and leads to the diversification and lethality of cancers. The crystal structure of A3A‐DNA revealed a unique U‐shaped recognition mode of target base dC0. However, when TC DNA was titrated into 15N‐labeled A3A solution, we observed two sets of 1H‐15N cross‐peaks of A3A in HSQC spectra, and two sets of 1H‐1H cross‐peaks of DNA in two‐dimensional 13C,15N‐filtered TOCSY spectra, indicating two different kinds of conformers of either A3A or TC DNA existing in solution. Here, mainly by NMR, we demonstrated that one DNA conformer interacted with one A3A conformer, forming a specific complex A3AS‐DNAS in a way almost similar to that observed in the reported crystal A3A‐DNA structure, where dC0 inserted into zinc ion binding center. While the other DNA conformer bound with another A3A conformer, but dC0 did not extend into the zinc‐binding pocket, forming a nonspecific A3ANS‐DNANS complex. The NMR solution structure implied three sites Asn61, His182 and Arg189 were necessary to DNA recognition. These observations indicate a distinctive way from that reported in X‐ray crystal structure, suggesting an unexpected mode of deaminase APOBEC3A to identify target motif TC in DNA in solution.
Abscisic acid inhibited reactive oxygen species‐mediated endoplasmic reticulum stress by regulating the PPAR‐γ signaling pathway in ARDS mice
Authors: Wang Lixia , Zou Hongyun , Xiao Xueying , Wu Huimei , Zhu Yan , Li Jun , Liu Xuesheng , Shen Qiying 
Published: November 2021

AbstractAcute respiratory distress syndrome (ARDS) is a life‐threatening form of a respiratory disorder, and there are few effective therapies. Abscisic acid (ABA) has been proven to be effective in influenza and asthma. Herein, we explored the protective effect of ABA on the resolution of ARDS and the underlying mechanism. Mice were challenged with lipopolysaccharide (LPS) to establish an ARDS model. We found that ABA reduced pulmonary injury, with concomitant suppression of endoplasmic reticulum (ER) stress and reduction of reactive oxygen species (ROS) production. Furthermore, after the elimination of ROS by the specific inhibitor N‐acetyl‐L‐cysteine (NAC), ABA did not further inhibit airway inflammation or ER stress in ARDS mice. In addition, ABA inhibited ROS production through nuclear factor erythroid 2–related factor 2 (Nrf2) activation in parallel with elevated levels of peroxisome proliferator activated receptor γ (PPAR‐γ). Furthermore, the addition of a PPAR‐γ antagonist abrogated the suppressive action of ABA on inflammation as well as on ER stress and oxidative stress, while NAC restored the protective effect of ABA in ARDS mice treated with a PPAR‐γ antagonist. Collectively, ABA protects against LPS‐induced lung injury through PPAR‐γ signaling, and this effect may be associated with its inhibitory effect on ROS‐mediated ER stress.
Investigating the magneto‐electronic, structural, mechanical, and thermodynamic properties of filled skutterudite NdRu4Sb12 and EuRu4Sb12: A first‐principles perspective
Authors: Kumar Pradeep , Mir Shabir Ahmad , Gupta Dinesh C. 
Published: November 2021

AbstractThe computational approaches are valuable in predicting the ground state properties of crystalline material. In this study, using the density functional theory, different physical properties of filled skutterudite NdRu4Sb12 and EuRu4Sb12 have been examined. The structural optimization signifies that both the materials are most stable in the ferromagnetic phase and have a lattice constant of 9.27 and 9.39 Å, respectively, which are comparable with already reported results. The spin‐polarized band structure reveals that these materials are metallic for both types of spin electrons. The low density of states around the Fermi level of the spin minority channel corresponding to the significant density of states at the Fermi level of the majority spin channel signifies the presence of high spin‐polarization. The Nd and Eu‐based materials possess a magnetic moment of 3.58 and 6.78 , respectively. The non‐negative elastic constants satisfying the Born stability criteria corroborate the mechanical stability of the materials. Furthermore, we have computed thermodynamic properties like Specific heat, Debye temperature, so on and studied their temperature and pressure dependence.
Stereo‐dependent dimerization, boiling points, diffusion coefficients, and dielectric constants of E/Z‐HFO‐1234ze
Authors: Hu Xiaoyi , Yu Xiaojuan , Hou Hua , Wang Baoshan 
Published: November 2021

AbstractStereo‐dependent properties of E‐ and Z‐HFO‐1234ze were investigated by density functional theory, extrapolated complete basis set limit, explicitly correlation, and symmetry‐adapted perturbation theory together with molecular dynamics simulations. The enthalpy of isomerization of E‐HFO‐1234ze to the Z isomer is 9.7 kJ/mol, showing the reverse cis effect. The HFO‐1234ze molecules interact predominantly via π‐π stacking of the double bonds and hydrogen bonding of CH⋯F. Although the E‐dimers involve less steric exchange‐repulsion, their binding energies are generally smaller by 2–6 kJ/mol than the Z‐dimers, in which the Coulombic multipole–multipole‐type electrostatic interactions and the long‐range dispersions are more profound. Local ordering in liquid occurs primarily via π stacking of the CHF‐end. The significant difference in boiling points of E‐ and Z‐HFO‐1234ze is clarified in terms of the dimerization free energy. Self‐diffusion coefficients and dielectric constants of HFO‐1234ze depend strongly on the E‐ and Z‐conformations.
Robust state agreement of nonlinear multi‐agent systems with measurement and actuator disturbances
Authors: Wang Zhanxiu , Liu Tengfei , Jiang Zhong‐Ping 
Published: November 2021

AbstractThis article studies the robust state agreement problem for nonlinear multi‐agent systems subject to measurement and actuator disturbances. Under a standard connectivity condition, it is shown that global robust agreement is achievable as long as the interaction functions between the multi‐agent system satisfy a sector bound condition. In addition, a result on local robust state agreement is also given under a relaxed sector bound condition. An interesting lesson drawn from the study is that stronger interactions may destroy the robustness of global state agreement of nonlinear multi‐agent systems with direct and switching topology.
Event‐triggered resilient distributed extended Kalman filter with consensus on estimation
Authors: Rezaei Hossein , Ghorbani Majid 
Published: November 2021

AbstractThis study investigates the event‐triggered resilient recursive distributed state estimation problem for discrete‐time nonlinear systems over sensor networks. An event‐triggered mechanism is employed to save the limited computation resource and network bandwidth while maintaining the desired performance. A resilient Extended Kalman Filter (EKF) with consensus on estimations is developed, and consensus is first achieved with respect to the prediction estimation. The accuracy of the computed estimation is then improved via two recursive equations. By adopting the structure of the EKF, the filter gains are determined in each sensor node via utilization of an upper bound for the cross‐covariance, thereby resulting in a lower computational burden. The boundedness of the estimation errors is analyzed. Simulation results are reported to illustrate the effectiveness of the proposed distributed filter.
Decentralized event‐triggered synchronization control for complex networks with nonperiodic DoS attacks
Authors: Li Yan , Song Feiyu , Liu Jinliang , Xie Xiangpeng , Tian Engang 
Published: November 2021

AbstractThis article focuses on the issue of decentralized event‐triggered synchronization control for complex networks (CNs) under nonperiodic denial‐of‐service (DoS) attacks. First, to alleviate the pressure on network bandwidth, a decentralized event‐triggered scheme is employed at each coupled node to decide whether the synchronization signal is transmitted to the communication network. Then, an event‐based synchronization error model is established for CNs under DoS attacks, where the communication network is assumed to be composed of multiple transmission channels and DoS attacks will independently compromise each of channels. Based on the constructed model, sufficient conditions that assuring the secure synchronization of the system are analyzed with the assistance of Lyapunov stability theory. Meanwhile, the synchronization controller gains are designed by solving a set of linear matrix inequalities. The efficiency of the study is finally validated by simulations.
A Critical Review on Electrochemical Properties and Significance of Orthosilicate‐Based Cathode Materials for Rechargeable Li/Na/Mg Batteries and Hybrid Supercapacitors
Authors: Sivaraj Pazhaniswamy , Abhilash Karuthedath Parameswaran , Selvin Paneerselvam Christopher 
Published: November 2021

AbstractThe polyanion orthosilicates such as Li2XSiO4 (X=Fe, Mn, Co, Ni), Na2XSiO4 (X=Fe, Mn, Co, Ni) and MgXSiO4 (X=Fe, Mn, Co, Ni) have been considered as viable cathode materials for the Li/Na/Mg batteries and hybrid supercapacitors. Significant capacity fading, structural instability, and low conductivity are the major impediments in silicate‐based cathode materials, which limit their practical applicability and industrial implementation. Identifying the source of capacity fading in these compounds upon cycling would offer better insight which merely reporting in previous efforts. The primary aim of this systematic review is to provide a clear insight on structure, morphology, electrical and electrochemical advances, and major impediments in the Li2XSiO4, Na2XSiO4 and MgXSiO4 type electrode materials. This study also compared the electrochemical results of various orthosilicate materials and discussed the mechanism of structural fracture during cycling. Among the numerous silicates, Li2FeSiO4 and Li2MnSiO4 are considered as promising cathode materials for advanced LIBs. This review also offers future opportunities and possible solutions to the structural and electrochemical inhibitions in Li2XSiO4, Na2XSiO4 and MgXSiO4 based‐electrodes for the development of rechargeable Li/Na/Mg batteries and hybrid supercapacitors.
Change in measures of moral function following acute bouts of Marine Corps Martial Arts Training
Authors: Siedlik Jacob A. , Deckert Jake A. , Clopton Aaron W. , Herda Trent J. , Weir Joseph P. , Gallagher Philip M. , Phillip Vardiman John 
Published: November 2021

AbstractThe Marine Corps Martial Arts Program (MCMAP) was developed to prepare Marines for complex battlefield situations that include hand‐to‐hand combat and ethical decision making. The objective of this study was to quantify changes in ethical decision‐making following MCMAP training. Fifty‐five, active duty, newly enlisted U.S. Marines (Males: n = 37; age = 19 ± 1 years; height = 176 ± 7 cm; mass = 74 ± 7 kg; Females: n = 18; age = 20 ± 2 years; height = 164 ± 6 cm; mass = 61 ± 6 kg) volunteered for this investigation and were assessed three times over 6 weeks, with 3 weeks between each visit, using serial blood samples for cortisol, norepinephrine, and epinephrine collected before training and during recovery [Immediate Post (IP), 15, 30, 45 and 60 min]. The Moral Functioning Continuum was used to quantify moral function before training, IP, 30, and 60 min post. Moral intention exhibited an acute response to training with significantly impaired decision making immediately post training. Moreover, both moral intention and moral judgement worsened over the visits suggesting a chronic impairment related to time in training suggesting a functional change in ethical decision‐making following acute bouts of MCMAP.