bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Elements Selection of High Entropy Alloy Guided by Thermodynamics and the Enhanced Electrocatalytic Mechanism for Oxygen Reduction Reaction
Authors: Wang Kun , Chen Rui , Yang Hao , Chen Yuhui , Jia Hao , He Yu , Song Shuqin , Wang Yi 
Published: November 2023

AbstractOwing to their exceptional properties, high‐entropy alloys (HEAs) have received considerable attention in the field of electrocatalysis. However, few studies focus on the origin of their outstanding performance. Here, carbon‐supported PtFeCoNiMn (with an atomic ratio of 21:20:20:20:19) HEA nanoparticles via shock‐heating and shock‐cooling strategy are rationally designed and successfully prepared. The above five metal elements are rationally selected from the perspective of thermodynamics and geometric effects. Subsequently, the alloying process of the PtFeCoNiMn HEA is investigated via operando X‐ray diffraction characterizations. The electronic structures of each metal atom on the PtFeCoNiMn HEA and monometallic nanoparticles surface are revealed by density function theory calculations for illustrating the performance enhancement mechanism. It is found that Pt atoms on the PtFeCoNiMn HEA surface exhibit a wider range of d‐band center distribution range than the corresponding monometallic nanoparticles, which contributes to the enhanced selective adsorption of O2 reactants/intermediates. Importantly, some Fe, Co, Ni, and Mn atoms on the HEA surface manifest less positive d‐band center values than the corresponding monometallic nanoparticles, with similar d‐band center positions to some Pt atoms. This indicates that the inactive atoms in monometallic nanoparticles can be transformed into ORR active sites in the HEA matrix owing to the electronic interaction between adjacent atoms.
Laser Thermal Shock Enabling Ultrafast Spin Regulation of MnO2 for Robust Pseudocapacitive Energy Storage
Authors: Wan Yi , Cao Tong , Li Yanan , Wang Bin , Wang Wanli , Xu Yujie , Yang Hao , Zhang Dongqing , Zhang Daliang , Li Qiang , Yu Chang , Hu Han , Wu Mingbo 
Published: November 2023

AbstractThe pseudocapacitive performance of MnO2 is intrinsically determined by its electronic structure, especially the spin state. However, the correlation between the electrochemical behavior and the spin state of electrode materials remains ill‐defined, and efficient spin regulation strategies for MnO2 are thus lacking. Herein, the study reports laser thermal shock of electrochemically deposited MnO2 for efficient spin regulation. The combined use of theoretical calculation and experimental investigation indicates that the thermal shock induces oxygen vacancy in MnO2 to reduce spin polarization and delocalize electron distribution. As a result, the electrical conductivity largely increases and the Na+ adsorption is reasonably optimized. By lasering an integrated electrode for only 83 s, a 54% increase of the specific capacitance is observed. For the first time, the pseudocapacitive capability of MnO2 is revealed by in situ electron paramagnetic resonance where the enhanced redox pair is correlated with evolution of Mn2+ during charge/discharge. Moreover, the commercial‐level mass‐loaded electrode also offers a decent performance enhancement after laser treatment, indicating the great prospect of this technology for real applications. This work innovatively correlates the pseudocapacitive performance of MnO2 with its spin state and offers a new avenue to optimize the electrochemical capability through spin regulation.
Stereoselective Synthesis of Fluoroalkanes via FLP Mediated Monoselective C─F Activation of Geminal Difluoroalkanes
Authors: Csókás Dániel , Mondal Bivas , Đokić Miloš , Gupta Richa , Lee Beatrice J. Y. , Young Rowan D. 
Published: November 2023

AbstractA method of desymmetrization of geminal difluoroalkanes using frustrated Lewis pair (FLP) mediated monoselective C–F activation where a chiral sulfide is the Lewis base component is reported. The stereoselective reaction provides generally high yields of diastereomeric sulfonium salts with dr of up to 95:5. The distribution of diastereomers is found to be thermodynamically controlled via facile sulfide exchange. The use of enantiopure chiral sulfides allows for high stereospecificity in nucleophilic substitution reactions and the formation of stereoenriched products.
Deep‐learning based in situ image monitoring crystal polymorph and size distribution: Modeling and validation
Authors: Yao Tuo , Liu Jian , Wan Xuxing , Li Beibei , Rohani Sohrab , Gao Zhenguo , Gong Junbo 
Published: November 2023

AbstractIn situ monitoring and closed‐loop control of the solution crystallization process are the modern trends for pharmaceutical development, in which the critical process parameters (CPPs) as well as the product critical quality attributes (CQAs) can be regulated and guaranteed during the manufacturing process. In this study, an in situ image monitoring methodology based on a state‐of‐the‐art deep‐learning model was developed to track the CQAs such as polymorph ratio, two‐dimensional crystal size, and crystal shape in a solvent‐mediated polymorphic transformation (SMPT) process. Coupled with the multidimensional process information, a 2D population balance model (PBM) was developed and validated using the results of the in situ image‐based CQAs analysis. The 2D‐PBM was solved using a high‐resolution finite volume method (HR‐FVM) which could provide a high dimensional particle‐size distribution. Through the validation between the process image analysis and the 2D‐PBM, the accuracy of image analysis was discussed, and the potential and challenges of in situ image analysis were proposed. This work aims to integrate the crystal polymorphism and two‐dimensional crystal size distribution (2D‐CSD) information in the SMPT process using intelligent microscopic image analysis and then to validate the results of neural network processing by solving the numerical solution of the multidimensional PBM.
Comparative methods for quantifying plasma biomarkers in Alzheimer's disease: Implications for the next frontier in cerebral amyloid angiopathy diagnostics
Authors: Muir Ryan T. , Ismail Zahinoor , Black Sandra E. , Smith Eric E. 
Published: November 2023

AbstractPlasma amyloid beta (Aβ) and tau are emerging as accessible biomarkers for Alzheimer's disease (AD). However, many assays exist with variable test performances, highlighting the need for a comparative assessment to identify the most valid assays for future use in AD and to apply to other settings in which the same biomarkers may be useful, namely, cerebral amyloid angiopathy (CAA). CAA is a progressive cerebrovascular disease characterized by deposition of Aβ40 and Aβ42 in cortical and leptomeningeal vessels. Novel immunotherapies for AD can induce amyloid‐related imaging abnormalities resembling CAA‐related inflammation. Few studies have evaluated plasma biomarkers in CAA. Identifying a CAA signature could facilitate diagnosis, prognosis, and a safer selection of patients with AD for emerging immunotherapies. This review evaluates studies that compare the diagnostic test performance of plasma biomarker techniques in AD and cerebrovascular and plasma biomarker profiles of CAA; it also discusses novel hypotheses and future avenues for plasma biomarker research in CAA.
Sequence identification and in silico characterization of novel thermophilic lipases from Geobacillus species
Authors: Sürmeli Yusuf , Tekedar Hasan Cihad , Şanlı‐Mohamed Gülşah 
Published: November 2023

AbstractMicrobial lipases are utilized in various biotechnological areas, including pharmaceuticals, food, biodiesel, and detergents. In this study, we cloned and sequenced Lip21 and Lip33 genes from Geobacillus sp. GS21 and Geobacillus sp. GS33, then we in silico and experimentally analyzed the encoded lipases. For this purpose, Lip21 and Lip33 were cloned, sequenced, and their amino acid sequences were investigated for determination of biophysicochemical characteristics, evolutionary relationships, and sequence similarities. 3D models were built and computationally affirmed by various bioinformatics tools, and enzyme‐ligand interactions were investigated by docking analysis using six ligands. Biophysicochemical property of Lip21 and Lip33 was also determined experimentally and the results demonstrated that they had similar isoelectric point (pI) (6.21) and Tm (75.5°C) values as Tm was revealed by denatured protein analysis of the circular dichroism spectrum and pI was obtained by isoelectric focusing. Phylogeny analysis indicated that Lip21 and Lip33 were the closest to lipases from Geobacillus sp. SBS‐4S and Geobacillus thermoleovorans, respectively. Alignment analysis demonstrated that S144–D348–H389 was catalytic triad residues in Lip21 and Lip33, and enzymes possessed a conserved Gly‐X‐Ser‐X‐Gly motif containing catalytic serine. 3D structure analysis indicated that Lip21 and Lip33 highly resembled each other and they were α/β hydrolase‐fold enzymes with large lid domains. BANΔIT analysis results showed that Lip21 and Lip33 had higher thermal stability, compared to other thermostable Geobacillus lipases. Docking results revealed that Lip21‐ and Lip33‐docked complexes possessed common residues (H112, K115, Q162, E163, and S141) that interacted with the substrates, except paranitrophenyl (pNP)‐C10 and pNP‐C12, indicating that these residues might have a significant action on medium and short‐chain fatty acid esters. Thus, Lip21 and Lip33 can be potential candidates for different industrial applications.
Investigation of the mechanisms for wireless nerve stimulation without active electrodes
Authors: Smith Luke A. , Bem Jaedon D. , Lv Xiaojing , Lauto Antonio , Sliow Ashour , Ma Zhiyuan , Mahns David A. , Berryman Carolyn , Hutchinson Mark R. , Fumeaux Christophe , Tettamanzi Giuseppe C. 
Published: November 2023

AbstractElectric‐field stimulation of neuronal activity can be used to improve the speed of regeneration for severed and damaged nerves. Most techniques, however, require invasive electronic circuitry which can be uncomfortable for the patient and can damage surrounding tissue. A recently suggested technique uses a graft‐antenna—a metal ring wrapped around the damaged nerve—powered by an external magnetic stimulation device. This technique requires no electrodes and internal circuitry with leads across the skin boundary or internal power, since all power is provided wirelessly. This paper examines the microscopic basic mechanisms that allow the magnetic stimulation device to cause neural activation via the graft‐antenna. A computational model of the system was created and used to find that under magnetic stimulation, diverging electric fields appear at the metal ring's edges. If the magnetic stimulation is sufficient, the gradients of these fields can trigger neural activation in the nerve. In‐vivo measurements were also performed on rat sciatic nerves to support the modeling finding that direct contact between the antenna and the nerve ensures neural activation given sufficient magnetic stimulation. Simulations also showed that the presence of a thin gap between the graft‐antenna and the nerve does not preclude neural activation but does reduce its efficacy.
Recent Advances in the Development of Li‐Air Batteries, Experimental and Predictive Approaches – Prospective, Challenges, and Opportunities
Authors: Jilani Aisha , Awan Zahoor , Taqvi Syed Ali Ammar , Khan Firoz , Alshahrani Thamraa 
Published: November 2023

AbstractThe significance of lithium‐air batteries (LABs) has recently increased as they are a highly competitive alternative to lithium‐ion batteries (LIBs) for powering electric automobiles. The reason behind this is their excessive theoretical energy density. The advancement, breakthroughs, and drawbacks of LABs are examined. A comprehensive evaluation of various energy storage devices is provided, followed by an evaluation of several electrochemical storage technologies, their advantages, and drawbacks. Also, recent advances in LABs are reviewed and potential machine learning techniques are explored to address the existing obstacles hindering the widespread adoption of LABs.
Zuverlässige Druckmessung in der Wasserstoffproduktion
Authors: Hermann Alexander 
Published: November 2023

AbstractMesser Industriegase ist ein familiengeführtes, global aktives Unternehmen für Industrie‐, Medizin‐ und Spezialgase. Am Standort Castrop‐Rauxel erzeugt Messer seit 2020 stündlich 2.700 Nm3 Wasserstoff in einem Dampfreformer. In der Anlage gibt es viele Sicherheitseinrichtungen, bei der die Druckwerte eine entscheidende Rolle spielen. Hier kommen Messgeräte von Endress+Hauser zum Einsatz, die den Herausforderungen der Wasserstoffproduktion gerecht werden, u.a. durch eine goldbeschichtete Membran.
A linear low effort stabilization method for the Euler equations using discontinuous Galerkin methods
Authors: Bänsch Michel , Behrens Jörn , Vater Stefan 
Published: November 2023

SummaryWe present a novel and simple yet intuitive approach to the stabilization problem for the numerically solved Euler equations with gravity source term relying on a low‐order nodal Discontinuous Galerkin Method (DGM). Instead of assuming isothermal or polytropic solutions, we only take a hydrostatic balance as a given property of the flow and use the hydrostatic equation to calculate a hydrostatic pressure reconstruction that replaces the gravity source term. We compare two environments that both solve the Euler equations using the DGM: deal.II and StormFlash. We utilize StormFlash as it allows for the use of the novel stabilization method. Without stabilization, StormFlash does not yield results that resemble correct physical behavior while the results with stabilization for StormFlash, as well as deal.II model the fluid flow more accurately. Convergence rates for deal.II do not match the expected order while the convergence rates for StormFlash with the stabilization scheme (with the exceptions for the L errors for momentum) meet the expectation. The results from StormFlash with stabilization also fit reference solutions from the literature much better than those from deal.II. We conclude that this novel scheme is a low cost approach to stabilize the Euler equations while not limiting the flow in any way other than it being in hydrostatic balance.
Predictors of multiple dilations and functional outcomes after total laryngectomy and laryngopharyngectomy
Authors: Cortina Luis E. , Wu Michael P. , Meyer Charles D. , Feng Allen L. , Varvares Mark A. , Richmon Jeremy D. , Deschler Daniel G. , Lin Derrick T. 
Published: November 2023

AbstractBackgroundFollowing total laryngectomy (TL) or laryngopharyngectomy (TLP), patients may develop strictures that require multiple dilations to treat. However, the risk factors associated with dysphagia refractory to a single dilation are unknown.MethodsSingle‐institution retrospective review of patients who underwent at least one stricture dilation after TL/TLP between March 2013 and March 2022.ResultsA total of 49 patients underwent stricture dilation after TL/TLP. Thirty‐five (71%) underwent multiple dilations. Pharyngocutaneous fistula, primary chemoradiation therapy, and a shorter time interval from TL/TLP to first dilation were independently associated with dysphagia requiring multiple dilations. Patients in the multiple dilations group had a higher rate of limited diet and G‐tube dependence compared to patients in the single dilation group.ConclusionsShorter time interval to stricture formation is a prognostic indicator of the need for multiple dilations following TL/TLP. Patients requiring multiple dilations are at increased risk of persistent dysphagia long‐term.
On the potential use of weather types to describe the interannual variability of annual maximum discharge across the conterminous United States
Authors: Kim Hanbeen , Villarini Gabriele 
Published: November 2023

AbstractWeather types or weather regimes represent the dominant modes of large‐scale atmospheric circulation patterns and have been used to understand and explain the physical mechanisms of different weather events. While there have been many studies that analyse the changes in extreme climate events through the lenses of weather typing, there is a lack of studies that attribute changes in flood extremes to changes in weather regimes. Here we examine the potential applicability of weather types as predictors of flood extremes. For 4535 streamgages across the conterminous United States, we employ a statistical attribution approach to model the seasonal and annual maximum discharge, utilizing five weather types with distinct synoptic features. Although there are regional patterns in the relationship between weather types and the major climate drivers of flooding, our results show that the frequency of weather types does not provide enough information to model the interannual variability in the magnitude of flood peaks across the conterminous United States.
Neurodevelopment among children exposed to HIV and uninfected in sub‐Saharan Africa
Authors: Bulterys Michelle A. , Njuguna Irene , Mahy Mary , Gulaid Laurie A. , Powis Kathleen M. , Wedderburn Catherine J. , John‐Stewart Grace 
Published: November 2023

AbstractIntroductionThe population of 16 million children exposed to HIV and uninfected (CHEU) under 15 years of age continues to expand rapidly, and the estimated prevalence of CHEU exceeds 20% in several countries in sub‐Saharan Africa with high HIV prevalence. Some evidence suggests that CHEU experience suboptimal neurodevelopmental outcomes compared to children born to women without HIV. In this commentary, we discuss the latest research on biologic and socio‐behavioural factors associated with neurodevelopmental outcomes among CHEU.DiscussionSome but not all studies have noted that CHEU are at risk of poorer neurodevelopment across multiple cognitive domains, most notably in language and motor skills, in diverse settings, ages and using varied assessment tools. Foetal HIV exposure can adversely influence infant immune function, structural brain integrity and growth trajectories. Foetal exposure to antiretrovirals may also influence outcomes. Moreover, general, non‐CHEU‐specific risk factors for poor neurodevelopment, such as preterm birth, food insecurity, growth faltering and household violence, are amplified among CHEU; addressing these factors will require multi‐factorial solutions. There is a need for rigorous harmonised approaches to identify children at the highest risk of delay. In high‐burden HIV settings, existing maternal child health programmes serving the general population could adopt structured early child development programmes that educate healthcare workers on CHEU‐specific risk factors and train them to conduct rapid neurodevelopmental screening tests. Community‐based interventions targeting parent knowledge of optimal caregiving practices have shown to be successful in improving neurodevelopmental outcomes in children and should be adapted for CHEU.ConclusionsCHEU in sub‐Saharan Africa have biologic and socio‐behavioural factors that may influence their neurodevelopment, brain maturation, immune system and overall health and wellbeing. Multidisciplinary research is needed to disentangle complex interactions between contributing factors. Common environmental and social risk factors for suboptimal neurodevelopment in the general population are disproportionately magnified within the CHEU population, and it is, therefore, important to draw on existing knowledge when considering the socio‐behavioural pathways through which HIV exposure could impact CHEU neurodevelopment. Approaches to identify children at greatest risk for poor outcomes and multisectoral interventions are needed to ensure optimal outcomes for CHEU in sub‐Saharan Africa.
COVID–19集中治療中に早期発見できずに緊急止血を要し，疼痛緩和目的に血腫除去を追加することで良好な転帰をとった腹直筋・腹膜前腔血腫(The rectus sheath and extraperitoneal hematoma that could not be detected early during critical care of a severe COVID–19 patient, and had a good outcome with additional hematoma removal for pain relief: a case report)
Authors: 沙季 小西 , 研二 神鳥 , 優 安念 , 聡 菊池 , 悟 邑田 , 淳 竹葉 , 格夫 佐藤 
Published: November 2023

要旨新型コロナウイルス感染症（COVID–19）の血栓傾向に対して各国の診療ガイドラインでは抗凝固療法が推奨されている。一方で抗凝固療法は出血性合併症のリスクを伴い，時に致死的となる。COVID–19患者の人工呼吸器管理，抗凝固療法中に出血性ショックとなってから診断し緊急止血を要した両側下腹壁動脈損傷による腹直筋血腫および腹膜前腔血腫を経験した。また大きな血腫による疼痛の緩和目的に血腫除去術を行うことで離床範囲を拡大することができた。COVID–19の呼吸不全を呈する82歳の女性に対して人工呼吸器管理，腹臥位療法，抗凝固療法を行っていた。経過中に出血性ショックとなり緊急輸血を開始した。両側下腹壁動脈損傷，腹直筋・腹膜前腔血腫と診断し，緊急IVRによる止血を行った。止血後も血腫による疼痛が強いため血腫除去術を施行した。離床範囲は拡大し入院25日目に転院とした。COVID–19治療中は抗凝固療法に加え腹臥位療法や咳嗽などの腹圧上昇が下腹壁動脈損傷，腹直筋・腹膜前腔血腫のリスクとなる可能性がある。また鎮静・鎮痛，筋弛緩などにより血腫の診断が遅れ，出血性ショックに至り，緊急輸血や緊急止血術を要することがあり，出血性合併症の発症を念頭に身体所見などからその早期診断・早期介入に努める必要がある。また疼痛緩和による早期離床，リハビリテーション促進のために血腫除去術を考慮すべきである。
Genome and proteomic analysis of risk factors for fatal outcome in children with severe community‐acquired pneumonia caused by human adenovirus 7
Authors: Wei Jianhua , Zang Na , Zhang Jing , He Yu , Huang Haixia , Liu Xiangyu , Xu Ximing , Ren Luo , Deng Yu , Wu Jianguo , Seto Donald , Zhong Wen , Zhang Qiwei , Liu Enmei 
Published: November 2023

AbstractIntroductionHuman adenovirus 7 (HAdV‐7) is an important viral pathogen of severe pneumonia in children and a serious threat to health.MethodsA cohort of 45 pediatric patients diagnosed with HAdV‐7‐associated severe pneumonia and admitted to the Pediatric Intensive Care Unit at the Children's Hospital of Chongqing Medical University from May 2018 to January 2020 were included. Risk factors of death were analyzed by the Cox proportional risk mode with Clinical data, serum, and nasopharyngeal aspirate adenovirus load, Genome analysis, Olink proteomics, and cytokine profile between dead and surviving patients were also analyzed.ResultsA total of 45 children with a median age of 12.0 months (interquartile range [IQR]: 6.5, 22.0) were included (female 14), including 14 (31.1%) who died. High serum viral load was an independent risk factor for mortality (hazard ratio [HR] = 2.16, 95% confidence interval [CI], 1.04–4.49, p = 0.039). BTB and CNC homology 1 (BACH1), interleukin‐5 (IL‐5), and IL‐9 levels were significantly correlated with serum viral load (p = 0.0400, 0.0499, and 0.0290; r = 0.4663, 0.3339, and −0.3700, respectively), with significant differences between the dead and survival groups (p = 0.021, 0.001, and 0.021).ConclusionsSevere cytokine storm‐associated high serum viral load after HAdV‐7 infection may be the main mechanism responsible for poor prognosis in children.