bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel SARS2 variants identified in a Chinese girl with HUPRA syndrome
Authors: Zhou Yi , Zhong Cheng , Yang Qin , Zhang Gaofu , Yang Haiping , Li Qiu , Wang Mo 
Published: March 2021

AbstractBackgroundHyperuricemia, pulmonary hypertension, renal failure, and alkaline intoxication syndrome (HUPRA syndrome) is a rare autosomal recessive mitochondrial disease. SARS2 gene encoding seryl‐tRNA synthetase is the only pathogenic gene of HUPRA syndrome. All the previously reported cases with HUPRA syndrome were detected for homozygous mutation.MethodsWe identified compound heterozygous mutations causing HUPRA syndrome using whole‐exome sequencing, and verifed pathogenicity with ACMG standards. All the previously published cases with SARS2 mutations were reviewed.ResultsSARS2 gene compound heterozygotes variants were detected in this Chinese patient (c.667G>A/c.1205G>A). Bioinformatics studies and protein models predict that a new variant (c.667G>A) is likely to be pathogenic. A total of six patients, five of whom were previously reported with HUPRA syndrome, were analyzed. All of the six had typical clinical manifestations of HUPRA syndrome, except the Chinese girl who had no pulmonary hypertension or alkaline intoxication. The shrunken kidney was more prominent in our proband. The average survival time for previously reported patients was 17 months, and the Chinese girl was 70 months. Three mutation variants were found, including five homozygous mutants, three of which were Palestinian (c.1169A > G), two of which were from a Spanish family (c.1205G> A), and one was a new variant (c.667G>A/c.1205G>A).ConclusionWe found a new pathogenic form (compound heterozygous mutation) causing HUPRA syndrome, and identified a novel pathogenic site (c.667G>A) of the SARS2 gene, expanding the spectrum of SARS2 pathogenic variants. The mild phenotype in complex heterozygous mutations is described.
All‐systolic first‐pass myocardial rest perfusion at a long saturation time using simultaneous multi‐slice imaging and compressed sensing acceleration
Authors: Ferrazzi Giulio , McElroy Sarah , Neji Radhouene , Kunze Karl P. , Nazir Muhummad Sohaib , Speier Peter , Stäb Daniel , Forman Christoph , Razavi Reza , Chiribiri Amedeo , Roujol Sébastien 
Published: March 2021

PurposeTo enable all‐systolic first‐pass rest myocardial perfusion with long saturation times. To investigate the change in perfusion contrast and dark rim artefacts through simulations and surrogate measurements.MethodsSimulations were employed to investigate optimal saturation time for myocardium‐perfusion defect contrast and blood‐to‐myocardium signal ratios. Two saturation recovery blocks with long/short saturation times (LTS/STS) were employed to image 3 slices at end‐systole and diastole. Simultaneous multi‐slice balanced steady state free precession imaging and compressed sensing acceleration were combined. The sequence was compared to a 3 slice‐by‐slice clinical protocol in 10 patients. Quantitative assessment of myocardium‐peak pre contrast and blood‐to‐myocardium signal ratios, as well as qualitative assessment of perceived SNR, image quality, blurring, and dark rim artefacts, were performed.ResultsSimulations showed that with a bolus of 0.075 mmol/kg, a LTS of 240‐470 ms led to a relative increase in myocardium‐perfusion defect contrast of 34% ± 9%‐28% ± 27% than a STS = 120 ms, while reducing blood‐to‐myocardium signal ratio by 18% ± 10%‐32% ± 14% at peak myocardium. With a bolus of 0.05 mmol/kg, LTS was 320‐570 ms with an increase in myocardium‐perfusion defect contrast of 63% ± 13%‐62% ± 29%. Across patients, LTS led to an average increase in myocardium‐peak pre contrast of 59% (P < .001) at peak myocardium and a lower blood‐to‐myocardium signal ratio of 47% (P < .001) and 15% (P < .001) at peak blood/myocardium. LTS had improved motion robustness (P = .002), image quality (P < .001), and decreased dark rim artefacts (P = .008) than the clinical protocol.ConclusionAll‐systolic rest perfusion can be achieved by combining simultaneous multi‐slice and compressed sensing acceleration, enabling 3‐slice cardiac coverage with reduced motion and dark rim artefacts. Numerical simulations indicate that myocardium‐perfusion defect contrast increases at LTS.
Quasi–steady‐state CEST (QUASS CEST) solution improves the accuracy of CEST quantification: QUASS CEST MRI‐based omega plot analysis
Authors: Sun Phillip Zhe 
Published: March 2021

PurposeCEST MRI omega plot quantifies the labile proton fraction ratio (fr) and exchange rate (ksw), yet it assumes long RF saturation time (Ts) and relaxation delay (Td). Our study aimed to test if a quasi–steady‐state (QUASS) CEST analysis that accounts for the effect of finite Ts and Td could improve the accuracy of CEST MRI quantification.MethodsWe modeled the MRI signal evolution using a typical CEST EPI sequence. The signal relaxes toward its thermal equilibrium following the bulk water relaxation rate during Td, and then toward its CEST steady state following the spin‐lock relaxation rate during Ts from which the QUASS CEST effect is derived. Both fr and ksw were solved from simulated conventional apparent CEST and QUASS CEST MRI. We also performed MRI experiments from a Cr‐gel phantom under serially varied Ts and Td times from 1.5 to 7.5 s.ResultsSimulation showed that, although ksw could be slightly overestimated (3%‐15%) for the range of Ts and Td, fr could be substantially underestimated by as much as 67%. In contrast, the QUASS solution provided accurate ksw and fr determination within 2%. The CEST MRI experiments confirmed that the QUASS solution enabled robust quantification of ksw and fr, superior over the omega plot analysis based on the conventional apparent CEST MRI measurements.ConclusionsThe QUASS CEST MRI algorithm corrects the effect of finite Ts and Td times on CEST measurements, thereby allowing robust and accurate CEST quantification.
Distortion‐free, high‐isotropic‐resolution diffusion MRI with gSlider BUDA‐EPI and multicoil dynamic B0 shimming
Authors: Liao Congyu , Bilgic Berkin , Tian Qiyuan , Stockmann Jason P. , Cao Xiaozhi , Fan Qiuyun , Iyer Siddharth Srinivasan , Wang Fuyixue , Ngamsombat Chanon , Lo Wei‐Ching , Manhard Mary Kate , Huang Susie Y. , Wald Lawrence L. , Setsompop Kawin 
Published: March 2021

PurposeWe combine SNR‐efficient acquisition and model‐based reconstruction strategies with newly available hardware instrumentation to achieve distortion‐free in vivo diffusion MRI of the brain at submillimeter‐isotropic resolution with high fidelity and sensitivity on a clinical 3T scanner.MethodsWe propose blip‐up/down acquisition (BUDA) for multishot EPI using interleaved blip‐up/blip‐down phase encoding and incorporate B0 forward‐modeling into structured low‐rank reconstruction to enable distortion‐free and navigator‐free diffusion MRI. We further combine BUDA‐EPI with an SNR‐efficient simultaneous multislab acquisition (generalized slice‐dithered enhanced resolution [“gSlider”]), to achieve high‐isotropic‐resolution diffusion MRI. To validate gSlider BUDA‐EPI, whole‐brain diffusion data at 860‐μm and 780‐μm data sets were acquired. Finally, to improve the conditioning and minimize noise penalty in BUDA reconstruction at very high resolutions where B0 inhomogeneity can have a detrimental effect, the level of B0 inhomogeneity was reduced by incorporating slab‐by‐slab dynamic shimming with a 32‐channel AC/DC coil into the acquisition. Whole‐brain 600‐μm diffusion data were then acquired with this combined approach of gSlider BUDA‐EPI with dynamic shimming.ResultsThe results of 860‐μm and 780‐μm datasets show high geometry fidelity with gSlider BUDA‐EPI. With dynamic shimming, the BUDA reconstruction’s noise penalty was further alleviated. This enables whole‐brain 600‐μm isotropic resolution diffusion imaging with high image quality.ConclusionsThe gSlider BUDA‐EPI method enables high‐quality, distortion‐free diffusion imaging across the whole brain at submillimeter resolution, where the use of multicoil dynamic B0 shimming further improves reconstruction performance, which can be particularly useful at very high resolutions.
Reduced Order Models for Optimal Flow Control
Authors: Strazzullo Maria , Ballarin Francesco , Rozza Gianluigi 
Published: March 2021

AbstractData assimilation models allow to fill the gap between numerical simulations and experimental data. Optimal control problems governed by parametrized partial differential equations PDE(µ) is suited for this kind of application, where you want to track problem solutions towards known quantities, given by data collections or previous knowledge. Still, the computational effort increases when one has to deal with nonlinear time‐dependent governing equations. Reduced order methods are an effective approach to solve data assimilation problems in a reliable and faster way. We apply the POD‐Galerkin methodology in environmental marine sciences where different parameters describe several physical configurations. We present a nonlinear time‐dependent tracking problem for velocity‐height solutions of shallow water equations.
Data‐based Approach for Fault Diagnosis of Hydropower Rotors
Authors: Sperber Christian , Weber Wilhelm , Eberhard Peter 
Published: March 2021

AbstractThe poster presents a novel approach to diagnose rotordynamic faults like unbalance and coupling misalignment from measured vibration. For that purpose, a large database of virtual hydropower rotors and their vibration has been calculated. The goal is to create a data‐driven diagnosis system from this database, that will be applicable to a variety of real hydropower rotors. In a first step, a gradient boosting regression algorithm has been applied to the database with some preprocessing and showed promising results. A future condition monitoring system based on this idea will be easily applicable to a variety of hydropower rotors without the need of machine‐specific models. It will help machine operators to monitor faults in order to start targeted countermeasures when they are needed, avoiding unscheduled downtimes and increasing overall cost‐efficiency of their machine.
Wavelet‐based dynamic mode decomposition
Authors: Krishnan Manu , Gugercin Serkan , Tarazaga Pablo 
Published: March 2021

AbstractDynamic mode decomposition (DMD) has emerged as a leading data‐driven technique to identify the spatio‐temporal coherent structure in dynamical systems, owing to its strong relation with the Koopman operator. For dynamical systems with external forcing, the identified model should not only be suitable for a specific forcing function but should generally approximate the input‐output behavior of the data source. In this work, we propose a novel methodology, called the wavelet‐based DMD (WDMD), that integrates wavelet decompositions with ioDMD to approximate dynamical systems from partial measurement data. The method is validated using a numerical and experimental case study involving modal analysis on a simple finite element model and free‐free beam respectively.
Sensor selection for hyper‐parameterized linear Bayesian inverse problems
Authors: Aretz Nicole , Chen Peng , Veroy Karen 
Published: March 2021

AbstractModels of physical processes often depend on parameters, such as material properties or source terms, that are only known with some uncertainty. Measurement data can be used to estimate these parameters and thereby improve the model's credibility. When measurements become expensive, it is important to choose the most informative data. This task becomes even more challenging when the model configurations vary and the data noise is correlated.In this poster we summarize our results in [1] and present an observability coefficient that describes the influence of the sensors on the inverse solution. It can guide optimal sensor selection towards a uniformly good parameter estimate over all admissible model configurations. We propose a sensor selection algorithm that iteratively improves the observability coefficient, and present numerical results for a steady‐state heat conduction problem with correlated noise.
Spatial and temporal variations in near‐surface energy fluxes in an Alpine valley under synoptically undisturbed and clear‐sky conditions
Authors: Lehner Manuela , Rotach Mathias W. , Sfyri Eleni , Obleitner Friedrich 
Published: March 2021

AbstractDiurnal cycles of turbulent sensible and latent heat fluxes are typically closely related to the diurnal cycles of solar irradiation under synoptically undisturbed and clear‐sky conditions. In mountainous terrain, large variations can occur in the topographic and surface properties, which modify the local radiation budget and thus turbulent energy fluxes and the surface energy balance. Another characteristic of mountainous terrain is local, thermally driven circulation systems, such as the slope‐ and valley‐wind system, which can equally affect turbulent exchange. Observations of near‐surface radiative and turbulent fluxes are presented from six eddy‐covariance stations in an approximately east–west‐oriented major Alpine valley for undisturbed and clear‐sky conditions. Median diurnal cycles over the whole year are compared at the six sites and related to local terrain characteristics and the thermally driven wind systems. At a scale that is smaller than grid cells in current operational global forecast models, heat, moisture, and momentum fluxes show a large spatial variability in the magnitudes and their diurnal cycles. Lowest heat fluxes are observed on the north‐facing sidewall, where solar irradiation and thus available energy are reduced compared with the valley floor and south‐facing sidewall. Differences in the land surface characteristics further affect the partitioning of the available energy into sensible and latent heat fluxes. The median sensible heat flux reaches its daily peak already before solar noon at several sites, which appears to be related to the transition from down‐valley to up‐valley winds. In contrast to flat and homogeneous terrain, horizontal heat fluxes and lateral momentum fluxes can reach magnitudes that are similar to the magnitudes of vertical heat fluxes and longitudinal momentum fluxes, respectively.
Computationally unraveling the mechanism and selectivity of five and six membered N‐heterocyclic carbene‐catalyzed alkyne hydrochalcogenation
Authors: Jayasree Elambalassery G. , Reshma Sobhana , Aswathy Mohanan 
Published: March 2021

AbstractThe present work is intended to bring to the forefront a relatively less explored area of N‐Heterocyclic Carbene (NHC) catalyzed alkyne hydro‐ thiolation and selenation reactions by exploring the reaction mechanism. Reaction mechanism involves chalcogenol activation followed by alkyne insertion and the second step is the rate determining step. A comparison with the reported uncatalyzed gas phase reaction showed that a simple imidazol‐2‐ylidene catalyst can lower the free energy barrier by 28.74 and 21.73 kcal/mol respectively for acetylene hydro‐ thiolation and selenation reaction. All the employed NHCs are proved to be better catalyst for both hydrothiolation and hydroselenation. Factors such as changing the heterocycle, increasing the conjugation, ring expansion and electronic/steric substitution at the heteroatom were found to affect the energy barriers due to the geometric variations at NHC‐carbon and S/Se in the intermediate and the transition structure corresponding to alkyne insertion. Effect of solvent polarity on the reaction energetics and selectivity has also been analyzed employing THF, DMSO and MeOH as the solvents.
Religiosity and work engagement: Workload as a moderator
Authors: Abualigah Ahmad , Davies Julie , Harrington Shelley 
Published: March 2021

AbstractBased on job demands‐resources (JD‐R) theory, this study examines the relationship between religiosity‐from an Islamic lens‐and work engagement, and the moderating role of workload on the relationship between these constructs. The results of a survey of 381 Muslim employees in Jordanian telecoms reveal that religiosity is positively related to work engagement. The findings also illustrate the importance of differentiating between challenge and hindrance demands in stressful contexts where workload influences the benefits of religiosity for work engagement. This study highlights the applicability of JD‐R theory and extends the theoretical framework by examining the relationship between religiosity and work engagement. It contributes to work engagement literature by introducing religiosity as a personal resource which enhances work engagement and improves well‐being.
3d Transition‐Metal‐Mediated Columbite Nanocatalysts for Decentralized Electrosynthesis of Hydrogen Peroxide
Authors: Liu Chang , Li Hao , Chen Junsheng , Yu Zixun , Ru Qiang , Li Shuzhou , Henkelman Graeme , Wei Li , Chen Yuan 
Published: March 2021

AbstractDecentralized electrosynthesis of hydrogen peroxide (H2O2) via oxygen reduction reaction (ORR) can enable applications in disinfection control, pulping and textile bleaching, wastewater treatment, and renewable energy storage. Transition metal oxides are usually not efficient catalysts because they are more selective to produce H2O. Here, it is shown that divalent 3d transition metal cations (Mn, Fe, Co, Ni, and Cu) can control the catalytic activity and selectivity of columbite nanoparticles. They are synthesized using polyoxoniobate (K7HNb6O19·13H2O) and divalent metal cations by a hydrothermal method. The optimal NiNb2O6 holds an H2O2 selectivity of 96% with the corresponding H2O2 Faradaic efficiency of 92% in a wide potential window from 0.2 to 0.6 V in alkaline electrolyte, superior to other transition metal oxide catalysts. Ex situ X‐ray photoelectron and operando Fourier‐transformed infrared spectroscopic studies, together with density functional theory calculations, reveal that 3d transition metals shift the d‐band center of catalytically active surface Nb atoms and change their interactions with ORR intermediates. In an application demonstration, NiNb2O6 delivers H2O2 productivity up to 1 molH2O2 gcat−1 h−1 in an H‐shaped electrolyzer and can yield catholytes containing 300 × 10−3 m H2O2 to efficiently decomposing several organic dyes. The low‐cost 3d transition‐metal‐mediated columbite catalysts show excellent application potentials.
Near‐Infrared Light‐Activatable Dual‐Action Nanoparticle Combats the Established Biofilms of Methicillin‐Resistant Staphylococcus aureus and Its Accompanying Inflammation
Authors: Yuan Zhang , Lin Chuanchuan , Dai Liangliang , He Ye , Hu Jingwei , Xu Kun , Tao Bailong , Liu Peng , Cai Kaiyong 
Published: March 2021

AbstractClinically, inhibition of both bacterial infection and excessive inflammation is a crucial step for improved wound treatments. Herein, the fabrication of near‐infrared‐light (NIR)‐activatable deoxyribonuclease (DNase)–carbon monoxide (CO)@mesoporous polydopamine nanoparticles (MPDA NPs) is demonstrated for efficient elimination of methicillin‐resistant Staphylococcus aureus (MRSA) biofilms and the following anti‐inflammatory activity. Specifically, thermosensitive CO‐gas‐releasing donors (CO releasing molecules, FeCO) are first encapsulated into MPDA NPs, followed by covalently immobilizing deoxyribonuclease I (DNase I) on the surfaces of MPDA NPs. DNase I can degrade the extracellular DNA in biofilms, which site specifically destroys the compactness of the biofilms. With NIR irradiation, DNase–CO@MPDA NPs display great photothermal ability, and further trigger on‐demand delivery of bactericidal CO gas that can adequately permeate the impaired biofilms. Eventually, they achieve effective MRSA biofilm elimination in virtue of the synergistic effects of both DNase I participation and CO‐gas‐potentiated photothermal therapy. Importantly, the inflammatory responses of DNase–CO@MPDA NPs and NIR‐treated wounds are simultaneously alleviated owing to the anti‐inflammatory features of released CO. Finally, NIR‐activatable DNase–CO@MPDA NPs accelerate the healing process of MRSA‐biofilm‐infected cutaneous wounds. Taken together, this phototherapeutic strategy displays great therapeutic potential in treating the formidable clinical problems caused by MRSA biofilms and the accompanying inflammation.
Design of Robust, Lithiophilic, and Flexible Inorganic‐Polymer Protective Layer by Separator Engineering Enables Dendrite‐Free Lithium Metal Batteries with LiNi0.8Mn0.1Co0.1O2 Cathode
Authors: Tan Liwen , Sun Yue , Wei Chuanliang , Tao Yuan , Tian Yuan , An Yongling , Zhang Yuchan , Xiong Shenglin , Feng Jinkui 
Published: March 2021

AbstractAs a promising candidate for the high energy density cells, the practical application of lithium‐metal batteries (LMBs) is still extremely hindered by the uncontrolled growth of lithium (Li) dendrites. Herein, a facile strategy is developed that enables dendrite‐free Li deposition by coating highly‐lithiophilic amorphous SiO microparticles combined with high‐binding polyacrylate acid (SiO@PAA) on polyethylene separators. A lithiated SiO and PAA (lithiated‐SiO/PAA) protective layer with synergistic flexible and robust features is formed on the Li metal anode via the in situ reaction to offer outstanding interfacial stability during long‐term cycles. By suppressing the formation of dead Li and random Li deposition, reducing the side reaction, and buffering the volume changes during the lithium deposition and dissolution, such a protective layer realizes a dendrite‐free morphology of Li metal anode. Furthermore, sufficient ionic conductivity, uniform lithium‐ion flux, and interface adaptability is guaranteed by the lithiated‐SiO and Li polyacrylate acid. As a result, Li metal anodes display significantly enhanced cycling stability and coulombic efficiency in Li||Li and Cu||Li cells. When the composite separator is applied in a full cell with a carbonate‐based electrolyte and LiNi0.8Mn0.1Co0.1O2 cathode, it exhibits three times longer lifespan than control cell at current density of 5 C.
Engineering Oxaliplatin Prodrug Nanoparticles for Second Near‐Infrared Fluorescence Imaging‐Guided Immunotherapy of Colorectal Cancer
Authors: Zhu Qiurong , Sun Fang , Li Tianliang , Zhou Mengxue , Ye Jiayi , Ji Aiyan , Wang Hui , Ding Chunyong , Chen Hao , Xu Zhiai , Yu Haijun 
Published: March 2021

AbstractColorectal cancer (CRC) ranks as the third common and the fourth lethal cancer type worldwide. Immune checkpoint blockade therapy demonstrates great efficacy in a subset of metastatic CRC patients, but precise activation of the antitumor immune response at the tumor site is still challenging. Here a versatile prodrug nanoparticle for second near‐infrared (NIR‐II) fluorescence imaging‐guided combinatory immunotherapy of CRC is reported. The prodrug nanoparticles are constructed with a polymeric oxaliplatin prodrug (PBOXA) and a donor–spacer–acceptor–spacer–donor type small molecular fluorophore TQTCD. The later displays large Stokes shift (>300 nm), fluorescence emission over 1000 nm, and excellent photothermal conversion performance for NIR‐II fluorescence imaging‐guided photothermal therapy (PTT). The prodrug nanoparticles show seven times higher intratumoral OXA accumulation than free oxaliplatin. TQTCD‐based PTT and PBOXA‐induced chemotherapy trigger immunogenic cell death of the tumor cells and elicit antitumor immune response in a spatiotemporally controllable manner. Further combination of the prodrug nanoparticle‐based PTT/chemotherapy with programmed death ligand 1 blockade significantly promotes intratumoral infiltration of the cytotoxic T lymphocytes and eradicates the CRC tumors. The NIR‐II fluorescence imaging‐guided immunotherapy may provide a promising approach for CRC treatment.