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Force-induced Caspase-1-dependent pyroptosis regulates orthodontic tooth movement

International Journal of Oral Science 2024年第2期16卷 238-250页

作者： Liyuan Chen Huajie Yu Zixin Li Yu Wang Shanshan Jin Min Yu Lisha Zhu Chengye Ding Xiaolan Wu Tianhao Wu Chunlei Xun Yanheng Zhou Danqing He Yan Liu Department of Orthodontics Central LaboratoryPeking University School and Hospital for Stomatology&National Center for Stomatology&National Clinical Research Center for Oral Diseases&National Engineering Research Center of Oral Biomaterials and Digital Medical Devices&Beijing Key Laboratory of Digital Stomatology&Research Center of Engineering and Technology for Computerized Dentistry Ministry of Health&NMPA Key Laboratory for Dental Materials&National Engineering Research Center of Oral Biomaterials and Digital Medical DevicesBeijingChina Peking University Hospital of Stomatology Fourth Division BeijingChina

Pyroptosis,an inflammatory caspase-dependent programmed cell death,plays a vital role in maintaining tissue homeostasis and activating inflammatory *** tooth movement(OTM)is an aseptic force-induced inflammatory bone remodeling process mediated by the activation of periodontal ligament(PDL)progenitor ***,whether and how force induces PDL progenitor cell pyroptosis,thereby influencing OTM and alveolar bone remodeling remains *** this study,we found that mechanical force induced the expression of pyroptosis-related markers in rat OTM and alveolar bone remodeling *** or enhancing pyroptosis level could suppress or promote OTM and alveolar bone remodeling *** Caspase-1^(−/−)mice,we further demonstrated that the functional role of the force-induced pyroptosis in PDL progenitor cells depended on ***,mechanical force could also induce pyroptosis in human ex-vivo force-treated PDL progenitor cells and in compressive force-loaded PDL progenitor cells in vitro,which influenced ***,transient receptor potential subfamily V member 4 signaling was involved in force-induced Caspase-1-dependent pyroptosis in PDL progenitor ***,this study suggested a novel mechanism contributing to the modulation of osteoclastogenesis and alveolar bone remodeling under mechanical stimuli,indicating a promising approach to accelerate OTM by targeting Caspase-1.

关键词： homeostasis movement thereby

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Molecular characterization and structure basis of a malonyltransferase with both substrate promiscuity and catalytic regiospecificity from Cistanche tubulosa

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Acta Pharmaceutica Sinica B 2024年第5期14卷 2333-2348页

作者： Xiao Liu Yuyu Liu Xiping Xu Wenqian Huang Yaru Yan Yingxia Wang Weisheng Tian Ting Mo Xiaoxue Cui Jun Li She-Po Shi Pengfei Tu Modern research center for Traditional Chinese Medicine Beijing Research Institute of Chinese MedicineBeijing University of Chinese MedicineBeijing 100029China Modern research center for Traditional Chinese Medicine School of Chinese Materia MedicaBeijing University of Chinese MedicineBeijing 100029China

Enzymatic malonylation of natural glycosides provides a promising alternative method for drug-like malonylated glycosides ***,the catalytic potential and structural basis of plant malonyltransferase are far from being fully *** work identified a new malonyltransferase CtMaT1 from Cistanche *** displayed unprecedented mono-and/or di-malonylation activity toward diverse glucosides with different aglycons.A“one-pot”system by CtMaT1 and a malonyl-CoA synthetase was established to biosynthesize nine new malonylated *** investigations revealed that CtMaT1 possesses an adequately spacious acyl-acceptor pocket capable of accommodating diverse ***,it recognizes malonyl-CoA through strong electrotactic and hydrogen ***/MM calculation revealed the H167-mediated SN2 reaction mechanism of CtMaT1,while dynamic simulations detected the formation of stable hydrogen bonds between the glucose-6-OH group and H167,resulting in its high malonylation *** energy profiles of two isomeric glycosides highlighted lower reaction energy barriers towards glucoside substrates,emphasizing CtMaT1's preference for ***,a mutant CtMaT1H36A with notably increased di-malonylation activity was *** underlying molecular mechanism was illuminated through MM/GBSA binding free energy *** study significantly advances the understanding of plant acyltransferases from both functional and protein structural perspectives,while also providing a versatile tool for enzymatic malonylation applications in pharmacology.

关键词： Plant acyltransferase Malonyltransferase Malonylated glycosides Enzymatic catalysis Enzyme promiscuity

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Numerical investigation of non-uniform temperature fields for proppant and fluid phases in supercritical CO_(2)fracturing

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Particuology 2024年第7期90卷 149-163页

作者： Boyu Liu Jun Yao research center of Multiphase Flow in Porous Media China University of Petroleum(East China)Qingdao 266000China

The non-uniform temperature distribution in supercritical CO_(2)(Sc-CO_(2))fracturing influences the density,viscosity,and volume expansion or shrinkage rate of Sc-CO_(2),impacting proppant *** study presents a coupled computational fluid dynamics-discrete element method and heat transfer model to examine the effects of proppant bed shape and the heat transfers of proppant-wall,proppant-fluid,and fluid-wall on the fluid and proppant temperature *** Sc-CO_(2)volume expansion is assessed under various temperature conditions by evaluating the volume-averaged Sc-CO_(2)*** factors,including proppant size,shape,thermal conductivity,concentration,temperature difference,and injection velocity,are carefully analyzed to elucidate their *** findings elucidate the existence of four distinct zones in the fluid temperature *** zone exhibits different magnitudes of temperature change under diverse conditions and undergoes dynamic transformations with the development of the proppant *** fluid-wall heat transfer and the fluid temperatures in Zones C and D are significantly subject to the fluid injection velocity(governing the heating duration),the temperature difference between fluid and formation(impacting the magnitude of heat flux),and the proppant bed shape(controlling the effective heating area).Additionally,the proppant-wall and proppant-fluid heat transfers determine the temperatures of both the proppant bed and the fluid within Zone B,showing a strong correlation with proppant thermal conductivity,proppant size,injection velocity,and temperature *** proposed coupled model provides valuable insights into the temperature distributions and flow behaviors of temperature-dependent fracturing fluids and proppants.

关键词： CFD-DEM Heat transfer Compressible fluid CO_(2)sequestration Proppant transport

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Two-dimensional semiconductor heterostructures for photocatalytic CO_(2)conversion

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Science China Chemistry 2024年第8期67卷 2434-2447页

作者： Yang Wu Mingyu Wu Yongfu Sun Yi Xie Hefei National research center for Physical Sciences at Microscale University of Science and Technology of ChinaHefei 230026China

The CO_(2)reduction into carbon-contained fuel via solar energy offers the powerful tools to realize the zero-emission carbon *** to the intriguing features of the two-dimensional(2D)heterostructures,it is susceptible to modulate the electronic structure as well as the surface geometry for optimizing the photocatalytic CO_(2)*** this perspective,we surveyed the fundamental insights of 2D semiconductor heterostructures,involving the fabrication strategies and classification of the 2D semiconductor ***,we have detailly discussed the overview of 2D semiconductor heterostructure for optimizing CO_(2)photocatalytic influenced factors,including the solar energy utilization,photogenerated carriers separation,and redox reaction ***,we showed the significant advantages of 2D heterostructures in elevating CO_(2)photoreduction performance,focusing on activity,selectivity and *** analyzing the limitations and developments,we ended by putting forward insights into the further researches about the CO_(2)photocatalysts and reactor design,even industrial applications.

关键词： two-dimensional semiconductor heterostructures photocatalysis CO_(2)conversion

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Hydrogen bond-bridged phosphorene flexible film for photodynamic inhibiting Staphylococcus aureus

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Nano research 2024年第6期17卷 5461-5468页

作者： Ziyu Wei Wenting Li Zhifang Liu Yongfa Zhu Huaqiang Cao Department of Chemistry Engineering Research Center of Advanced Rare Earth MaterialsTsinghua UniversityBeijing 100084China

Antibiotics are a widely used and effective treatment for bacterial ***,bacteria can gradually evolve during infection,leading to developing resistance to antibiotics,which renders previously effective treatments *** a useful and convenient manner to treat bacterial infections is a great ***,we report a flexible hydrogen-bond-bridged phosphorene film with photodynamic antibacterial properties and excellent mechanical properties,fabricated from electrochemical exfoliation of black phosphorus(BP).When illuminated under 700 nm light,the hydrogen bond-bridged phosphorene flexible film is capable of converting ground-state triplet oxygen(O_(2))into excited-state singlet oxygen(^(1)O_(2)),destroying the structure of the membrane of Staphylococcus aureus,and eventually leading to bacterial death,via breaking the C=C of unsaturated fatty acids within the bacterial cell membrane after the reaction between^(1)O_(2)and unsaturated fatty acids,thus realizing a highly efficient antibacterial approach,which is supported by gas chromatography-mass spectrometry(GC-MS)*** work establishes an effective phototherapy platform for treating bacterial traumatic infections.

关键词： hydrogen bond-bridged phosphorene flexible film photodynamic Staphylococcus aureus

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Dragonfly Interaction Algorithm for Optimization of Queuing Delay in Industrial Wireless Networks

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Journal of Bionic Engineering 2024年第1期21卷 447-485页

作者： Sanjay Bhardwaj Da-Hye Kim Dong-Seong Kim Department of IT Convergence Engineering ICT Convergence Research CenterKumoh National Institute of TechnologyGumiSouth Korea

In industrial wireless networks,data transmitted from source to destination are highly *** often leads to the queuing of the data,and poor management of the queued data results in excessive delays,increased energy consumption,and packet ***,a nature-inspired-based Dragonfly Interaction Optimization Algorithm(DMOA)is proposed for optimization of the queue delay in industrial wireless *** term“interaction”herein used is the characterization of the“flying movement”of the dragonfly towards damselflies(female dragonflies)for *** a result,interaction is represented as the flow of transmitted data packets,or traffic,from the source to the base *** includes each and every feature of dragonfly movement as well as awareness of the rival dragonflies,predators,and damselflies for the desired optimization of the queue *** features are juxtaposed as noise and interference,which are further used in the calculation of industrial wireless metrics:latency,error rate(reliability),throughput,energy efficiency,and fairness for the optimization of the queue *** analysis,convergence analysis,the Wilcoxon test,the Friedman test,and the classical as well as the 2014 IEEE Congress of Evolutionary Computation(CEC)on the benchmark functions are also used for the evaluation of DMOA in terms of its robustness and *** results demonstrate the robustness of the proposed algorithm for both classical and benchmarking functions of the IEEE CEC ***,the accuracy and efficacy of DMOA were demonstrated by means of the convergence rate,Wilcoxon testing,and ***,fairness using Jain’s index in queue delay optimization in terms of throughput and latency,along with computational complexity,is also evaluated and compared with other *** results show that DMOA exceeds other bio-inspired optimization algorithms in terms of fairness in queue delay management and average packet *** proposed a

关键词： Dragonfly Damselfly Interaction Queuing delay Optimization Industrial wireless networks

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B-COPNA resin formation from ethylene tar light fractions:Process development and mechanical exploration by molecular simulation

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Chinese Journal of Chemical Engineering 2024年第6期70卷 118-129页

作者： Hongyan Shen Lingrui Cui Xingguo Wei Yuanqin Zhang Lian Cen Jun Xu Fahai Cao Engineering research center of Large Scale Reactor East China University of Science and TechnologyShanghai 200237China

An efficient utilization strategy of ethylene tar(ET),the main by-product of the ethylene cracking unit,is urgently required to meet demands for modern petrochemical *** the other hand,condensed polynuclear aromatic resin of moderate condensation degree(B-COPNA)is a widely used carbon material due to its superb processability,the production of which is,however,seriously limited by the high cost of raw *** such context,an interesting strategy was proposed in this study for producing B-COPNA resin using crosslinked light fractions of ethylene tar(ETLF,boiling point<260℃)facilitated by molecular simulation.1,4-Benzenedimethanol(PXG)was first selected as the crosslinking agent according to the findings of molecular *** effects of operating conditions,including reactions temperature,crosslinking agent,and catalyst content on the softening point and yield of B-COPNA resin products were then investigated to optimize the *** reaction mechanism of resin production was studied by analyzing the molecular structure and transition state of ETLF and crosslinking *** was shown that PXG exhibited a superior capacity of withdrawing electrons and a higher electrophilic reactivity than other crosslinking *** addition to the highest yield and greatest heat properties,PXG-prepared resin contained the most condensed *** corresponding optimized conditions of resin preparation were 180℃,1:1.9(PXG:ETLF),and 3%(mass)of catalyst content with a resin yield of 78.57%.It was the electrophilic substitution reaction that occurred between the ETLF and crosslinking agent molecules that were responsible for the resin formation,according to the experimental characterization and molecular ***,it was confirmed that the proposed strategy and demonstrated process can achieve a clean and high value-added utilization of ETLF via B-COPNA resin preparation,bringing huge economic value to the current petrochemical industry.

关键词： Ethylene tar Crosslinking COPNA resin Molecular simulation Transient state

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A hierarchical enhanced data-driven battery pack capacity estimation framework for real-world operating conditions with fewer labeled data

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Journal of Energy Chemistry 2024年第4期91卷 417-432页

作者： Sijia Yang Caiping Zhang Haoze Chen Jinyu Wang Dinghong Chen Linjing Zhang Weige Zhang National Active Distribution Network Technology research center(NANTEC) Beijing Jiaotong UniversityBeijing 100044China

Battery pack capacity estimation under real-world operating conditions is important for battery performance optimization and health management,contributing to the reliability and longevity of batterypowered ***,complex operating conditions,coupling cell-to-cell inconsistency,and limited labeled data pose great challenges to accurate and robust battery pack capacity *** address these issues,this paper proposes a hierarchical data-driven framework aimed at enhancing the training of machine learning models with fewer labeled *** traditional data-driven methods that lack interpretability,the hierarchical data-driven framework unveils the“mechanism”of the black box inside the data-driven framework by splitting the final estimation target into cell-level and pack-level intermediate targets.A generalized feature matrix is devised without requiring all cell voltages,significantly reducing the computational cost and memory *** generated intermediate target labels and the corresponding features are hierarchically employed to enhance the training of two machine learning models,effectively alleviating the difficulty of learning the relationship from all features due to fewer labeled data and addressing the dilemma of requiring extensive labeled data for accurate *** only 10%of degradation data,the proposed framework outperforms the state-of-the-art battery pack capacity estimation methods,achieving mean absolute percentage errors of 0.608%,0.601%,and 1.128%for three battery packs whose degradation load profiles represent real-world operating *** high accuracy,adaptability,and robustness indicate the potential in different application scenarios,which is promising for reducing laborious and expensive aging experiments at the pack level and facilitating the development of battery technology.

关键词： Lithium-ion battery pack Capacity estimation Label generation Multi-machine learning model Real-world operating

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Geometry characteristics and wide temperature behavior of silicon-based GaN surface acoustic wave resonators with ultrahigh quality factor

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Science China(Information Sciences) 2024年第2期67卷 267-278页

作者： Guofang YU Renrong LIANG Haiming ZHAO Lei XIAO Jie CUI Yue ZHAO Wenpu CUI Jing WANG Jun XU Jun FU Tianling REN School of Integrated Circuits Tsinghua University Beijing National research center for Information Science Technology Tsinghua University

Surface acoustic wave(SAW) resonators with an ultrahigh Q-factor are designed and fabricated on silicon-based gallium nitride(GaN/Si). The temperature-dependent performance is characterized over a wide range, from 10 to 500 K. Finite element analysis is employed to guide the design of the SAW resonator from indications of the Rayleigh mode and weak propagation direction dependence of SAW in the c-plane of GaN/Si. The SAW resonator with 100 pairs of interdigital transducers(IDT), 100 pairs of grating reflectors(GR) for each side, aperture size of 80 μm, metallization ratio of 0.5, and electrode width of 500 nm resonates at 1.9133 GHz accordingly with an ultrahigh Q-factor of 7622 at room temperature, which contributes the fr× Qr, up to 14.583×1012Hz. A resonator operating over 10 to 500 K indicates an approximately linear decreasing temperature dependence above 280 K while being approximately constant below 40 K. The fitting to resonator characteristics using the modified Butterworth Van Dyke(m BVD) model reveals a reduction in both the electrode and mechanical losses while worsening the dielectric loss with cooling down.

关键词： GaN/Si SAW resonator ultrahigh Q-factor temperature-dependent performance mBVD losses

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Functional Optical Fiber Sensors Detecting Imperceptible Physical/Chemical Changes for Smart Batteries

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Nano-Micro Letters 2024年第8期16卷 268-308页

作者： Yiding Li Li Wang Youzhi Song Wenwei Wang Cheng Lin Xiangming He Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084People’s Republic of China National Engineering research center of Electric Vehicles Beijing Institute of Technology(BIT)Beijing 100081People’s Republic of China Shenzhen Automotive research Institute of BIT(Shenzhen research Institute of National Engineering research center of Electric Vehicles) Shenzhen 518118People’s Republic of China

The battery technology progress has been a contradictory process in which performance improvement and hidden risks *** the battery is still a“black box”,thus requiring a deep understanding of its internal *** battery should“sense its internal physical/chemical conditions”,which puts strict requirements on embedded sensing *** paper summarizes the application of advanced optical fiber sensors in lithium-ion batteries and energy storage technologies that may be mass deployed,focuses on the insights of advanced optical fiber sensors into the processes of one-dimensional nano-micro-level battery material structural phase transition,electrolyte degradation,electrode-electrolyte interface dynamics to three-dimensional macro-safety *** paper contributes to understanding how to use optical fiber sensors to achieve“real”and“embedded”*** the inherent advantages of the advanced optical fiber sensor,it helps clarify the battery internal state and reaction mechanism,aiding in the establishment of more detailed *** advancements can promote the development of smart batteries,with significant importance lying in essentially promoting the improvement of system ***,with the help of smart batteries in the future,the importance of consistency can be weakened or even *** application of advanced optical fiber sensors helps comprehensively improve the battery quality,reliability,and life.

关键词： Smart battery Advanced embedded optical fiber sensor Battery internal physical/chemical state Quality-reliability-life characteristic

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