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TransCell:In Silico Characterization of Genomic Landscape and Cellular Responses by Deep Transfer Learning

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Genomics, Proteomics & Bioinformatics 2024年第2期22卷 157-170页

作者： Shan-Ju Yeh Shreya Paithankar Ruoqiao Chen Jing Xing Mengying Sun Ke Liu Jiayu Zhou Bin Chen Department of Pediatrics and Human Development Michigan State UniversityGrand RapidsMI 49503USA Department of Pharmacology and Toxicology Michigan State UniversityGrand RapidsMI 49503USA Department of Computer Science and Engineering Michigan State UniversityEast LansingMI 48824USA

Gene expression profiling of new or modified cell lines becomes routine today;however,obtaining comprehensive molecular characterization and cellular responses for a variety of cell lines,including those derived from underrepresented groups,is not trivial when resources are *** gene expression to predict other measurements has been actively explored;however,systematic investigation of its predictive power in various measurements has not been well ***,we evaluated commonly used machine learning methods and presented TransCell,a two-step deep transfer learning framework that utilized the knowledge derived from pan-cancer tumor samples to predict molecular features and *** these models,TransCell had the best performance in predicting metabolite,gene effect score(or genetic dependency),and drug sensitivity,and had comparable performance in predicting mutation,copy number variation,and protein ***,TransCell improved the performance by over 50%in drug sensitivity prediction and achieved a correlation of 0.7 in gene effect score ***,predicted drug sensitivities revealed potential repurposing candidates for new 100 pediatric cancer cell lines,and predicted gene effect scores reflected BRAF resistance in melanoma cell ***,we investigated the predictive power of gene expression in six molecular measurement types and developed a web portal(http://***/transcell/)that enables the prediction of 352,000 genomic and cellular response features solely from gene expression profiles.

关键词： Genomics Transcriptomics Cancer dependency Drug repurposing Transfer learning

Reoxidation of liquid steel and evolution of inclusions during protective atmosphere electroslag remelting of Ce-containing heat-resistant stainless steel

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Journal of Iron and Steel Research International 2024年第8期31卷 1923-1935页

作者： Yu Zhao Cheng-bin Shi Shijun Wang Peng Ren Jing Li state Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing(USTB)Beijing 100083China

The evolution of Ce-containing inclusions and its correlation with the reoxidation of liquid steel during protective atmosphere electroslag remelting(ESR)of heat-resistant steel were *** reoxidation of liquid steel took place during the ESR,resulting in the oxygen pickup from 0.0014 to 0.0053 wt.%.The inclusions in the consumable electrode,liquid metal pool and remelted ingot are Ce_(2)O_(2)S and Ce_(2)O,inclusions *** inclusions in the remelted ingot are originated from three ways:(I)the original inclusions from the electrode;(Il)the newly formed Ce_(2)O_(2)S and Ce_(2)O_(3) inclusions in the liquid metal pool by reoxidation remaining still in remelted ingot;(IlI)the newly generated Ce2O2S and Ce_(2)O_(3) inclusions during cooling and solidification of liquid *** relative proportions of Ce_(2)O_(3) inclusions in liquid metal pool and remelted ingot are 41% and 76.5%,*** inclusions ranging from 2 to 5μm in the remelted ingot take up 55%,followed by the inclusions smaller than 2μm(43%of total inclusions).The number proportion of the Ce_(2)0,inclusions in the liquid metal pool which were removed by floating up into slag is 1.96×10-5%.

关键词： Non-metallic inclusion Electroslag remelting Rare earth cerium Reoxidation Inclusion evolution

Numerical investigation on characteristics of interfacial wave of liquid film in gas-liquid two-phase flow using OpenFOAM

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Chinese Journal of Aeronautics 2024年第2期37卷 233-248页

作者： Xiaoqi MA Yueshe WANG Jiaming TIAN state Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

Liquid film cooling as an advanced cooling technology is widely used in space *** operation of liquid film along the rocket combustion inner wall is crucial for thermal protection of rocket *** stability of liquid film is mainly determined by the characteristics of interfacial wave,which is rarely investigated right *** to improve the stability of thin film has become a hot *** view of this,an advanced model based on the conventional Volume of Fluid(VOF)model is adopted to investigate the characteristics of interfacial wave in gas-liquid flow by using OpenFOAM,and the mechanism of formation and development of wave is revealed intuitively through numerical *** effects from gas velocity,surface tension and dynamic viscosity of liquid(three factors)on the wave are studied *** can be found that the gas velocity is critical to the formation and development of wave,and four modes of droplets generation are illustrated in this ***,a gas vortex near the gas-liquid interface can induce formation of wave easily,so changing the gas vortex state can regulate formation and development of ***’s more,the change rules of three factors influencing on the interfacial wave are obtained,and the surface tension has a negative effect on the formation and development of wave only when the surface tension coefficient is above the critical value,whereas the dynamic viscosity has a positive effect in this ***,the maximum height and maximum slope angle of wave will level off as the gas velocity ***,the maximum slope angle of wave is usually no more than 38°,no matter what happens to the three factors.

关键词： Interfacial wave Gas-liquid Two-phase flow VOF model OpenFOAM

Theoretical and Experimental Study on the Performance of Hermetic Diaphragm Squeeze Film Dampers for Gas-Lubricated Bearings

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Chinese Journal of Mechanical Engineering 2024年第3期37卷 151-169页

作者： Jianwei Wang Haoxi Zhang Shaocun Han Hang Li Peng Wang Kai Feng state Key Laboratory of Advanced Design and Manufacturing for Vehicle Body Hunan UniversityChangsha 410082China

Low damping characteristics have always been a key sticking points in the development of gas *** application of squeeze film dampers can significantly improve the damping performance of gas lubricated *** paper proposed a novel hermetic diaphragm squeeze film damper(HDSFD)for oil-free turbomachinery supported by gas lubricated *** types of HDSFDs with symmetrical structure were proposed for good damping *** considering the compressibility of the damper fluid,based on hydraulic fluid mechanics theory,a dynamic model of HDSFDs under medium is proposed,which successfully reflects the frequency dependence of force *** on the dynamic model,the effects of damper fluid viscosity,bulk modulus of damper fluid,thickness of damper fluid film and plunger thickness on the dynamic stiffness and damping of HDSFDs were *** experimental test rig was assembled and series of experimental studies on HDSFDs were *** damper fluid transverse flow is added to the existing HDSFD concept,which aims to make the dynamic force coefficients independent of *** the force coefficient is still frequency dependent,the damping coefficient at high frequency excitation with damper fluid supply twice as that without damper fluid *** results serve as a benchmark for the calibration of analytical tools under development.

关键词： Hermetic diaphragm squeeze film damper Compressibility Dynamic model Experimental studies

Laminar Flame Structure-Dependent Exergy Destruction Behavior at Auto-Ignition Time Scale:A Case Study of Dimethyl Ether(DME)

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Journal of Thermal Science 2024年第4期33卷 1257-1271页

作者： WU Honghuan HUANG Wenlin ZHAO Hao SUN Wuchuan HUANG Zuohua ZHANG Yingjia state Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an710049China

Hybrid deflagration/auto-ignition flame structures coexist in the combustion of advanced *** exergy destruction caused by different irreversible processes under varied flame regimes is thus important for understanding engine *** this study,the flame propagation modes for the premixed DME/air mixtures are numerically investigated under engine-relevant *** entropy generation and exergy destruction characteristics are compared under different flame *** reveal that as the typical premixed flame transition towards auto-ignition front,the exergy destruction from heat conduction and species mass diffusion gradually vanish and are dominated by chemical *** distributions of temperature and species mole fraction in the flame domain are analyzed to clarify the exergy destruction behaviors caused by heat conduction and mass ***,by dividing the DME oxidation process into four stages,the main reaction channels that contribute to the increase in exergy destruction from chemical reaction have been *** is found that the production and consumption of CH_(2)O and HO_(2) radical dominate the exergy destruction behavior during DME *** this basis,the kinetic mechanism of low-temperature chemistry causing greater exergy destruction is ***,low-temperature chemistry leads to significant exergy destruction due to(a)the large irreversibility of itself and(b)(mainly)the enhancement of H_(2)O_(2)loop reactions by low-temperature reaction *** the reduction of combustion irreversibility is promising to be achieved by reasonably regulating the fuel oxidation path.

关键词： exergy destruction flame structures entropy generation low-temperature chemistry DME

Vanadium(V) Complexes Containing Unsymmetrical N-Heterocyclic Carbene Ligands: Highly Efficient Synthesis and Catalytic Behavior towards Ethylene/Propylene Copolymerization

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Chinese Journal of Polymer Science 2024年第1期42卷 32-41,I0006页

作者： Yi-Cong Wang Hui Zhat Pei-Yi Cheng Shu Zhang Xiang-Wei Liu Yi-Xian Wu state Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBejing 100029China

The highly efficient method has been developed for the synthesis of NHC·VOCl_(3) containing symmetrical or unsymmetrical Nheterocyclic carbene(NHC) ligands by the transmetallation reaction of NHC·AgCl with VOCl_(3).The total isolated yield of VOCl_(3)[1,3-(2,4,6-Me_(3)C_(6)H_(2))_(2)(NCH=)_(2)C:](V4') reached 86% by transmetallation reaction,which is much higher than that(48%) by direct coordination *** methodology has also been used to synthesize the novel vanadium complexes containing unsymmetrical NHC ligands of VOCl_(3)[PhCH_(2)NCH=CHNR)C:](V5',R=2,4,6-Me_(3)C_(6)H_(2);V6',R=2,4-Me_(2)-6-Ph-C_(6)H_(2);V7',R=2,6-^(i)Pr_(2)-C_(6)H_(3)) with high yield,which could not be obtained by direct coordination *** catalytic activity and copolymerization ability would be improved by introducing unsymmetrical NHC ligands due to their less steric bulky *** vanadium complex V5' containing unsymmetrical NHC ligand exhibits higher catalytic activity(3.7×10^(5)g_(copolymer)·mol^(-1) of V·h^(-1)) than that of V4' containing symmetrical NHC ***,the higher propylene incorporation ratio(45.6 mol%) in the copolymers of ethylene with propylene could be obtained by using V5' than that(39.9%) by using V4'.The results would provide a highly efficient strategy for the synthesis of early transition metal complexes containing versitile NHC ligands,affording the catalyst with both high catalytic activity and copolymerization ability for the synthesis of high performance polyolefin elastomers.

关键词： Vanadium complex N-heterocyclic carbene ligand Transmetallation reaction Copolymerization of ethylene with propylene

Hybrid assembly of conducting nanofiber network for ultra-stretchable and highly sensitive conductive hydrogels

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Journal of Materials Science & Technology 2024年第2期169卷 1-10页

作者： Yalei Wang Shulong Zeng Shaohong Shi Yuheng Jiang Zhiwei Du Bingzhen Wang Xiurong Li state Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures School of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China state Key Laboratory of Polymer Materials Engineering Polymer Research Institute of Sichuan UniversitySichuan UniversityChengdu 610065China

Conductive hydrogels have attracted extensive attention owing to their promising application prospects in flexible and wearable ***,achieving both high sensitivity and mechanical robustness remains ***,a novel and versatile conductive hydrogel based on the hybrid assem-bly of conductive cellulose nanofiber(CNF)networks has been designed and *** by the templating effect of CNFs and stabilizing effect of negatively charged poly(styrene sulfonate)(PSS),conducting polymer poly(3,4-ethylenedioxythiophene)(PEDOT)was self-organized into three-dimensional nanostructures which constructed a robust conductive network after in-situ oxidative *** unique structure derived from CNF bio-template endowed polyacrylamide(PAM)hydrogels with improved electrical conductivity and excellent mechanical *** a result,the as-fabricated CNF/PEDOT:PSS/PAM hydrogel exhibited an ultimate tensile strain of 1881%and toughness of 3.72 MJ/m^(3),which were 4.07 and 8.27 times higher than the CNF-free hydrogel,*** significantly,the resultant hydrogel sensor showed highly desirable sensing properties,including remarkable sensing range(1100%),high gauge factor(GF=5.16),fast response time(185 ms),and commendable durability,as well as good ***,the hydrogel sensor was able to distinguish subtle physiological activities including phonation and facial expression,and monitor large human body motions such as finger flexion and elbow ***,it was feasible to integrate the strain sensor on the joints of robots to recognize complicated machine motion signals,showing potential in advanced human-machine interactions.

关键词： Strain sensor Cellulose nanofibers PEDOT:PSS Conductive hydrogel Templating method

Interparticle energy transfer between NaNdF_(4) and NaYbF_(4) in self-assembled nanostructures

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Journal of Rare Earths 2024年第6期42卷 1029-1035,I0001页

作者： Xinyu Chen Haoze Yang Yuyang Gu Chenqing Wen Yishuo Sun Jiaming Ke Wei Feng Department of Chemistry and state Key Laboratory of Molecular Engineering of Polymers Fudan university Shanghai200433China

Forster resonance energy transfer(FRET)is a widely used spectroscopic *** development of donor-acceptor combinations is essential to advance this *** make the energy transfer efficiency independent of the external environment,we explored the potential of constructing donor—acceptor combinations with lanthanide ion-doped nanoparticles(LNPs),in which the 4f electrons of the lanthanide ions are shielded by the 5s and 6p ***-radiative energy transfer between LNPs was demonstrated in self-assembled nanostructures and core-shell structure of LNPs was used to control the distance between donor and acceptor in self-assembled *** emission intensity ratio of donor and acceptor illustrates that the energy transfer efficiency decreases significantly with increasing distance and the effective energy transfer distance is 8.5 nm,showing the potential of using LNPs as donor-acceptor pairs in the construction of distance-dependent energy transfer system.

关键词： Lanthanide nanoparticles Self-assembly Energy transfer Distance Epitaxialgrowth Rare earths

Polymer-to-Monomers Chemically Recyclable Poly(imide-imine)Plastics with Extreme-Condition Resistance and Flame Retardancy

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Chinese Journal of Polymer Science 2024年第10期42卷 1525-1535,I0012页

作者： Zhen-Yu Wang Xiao-Kong Liu state Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun130012China

Polyimides are a family of high-tech plastics that have irreplaceable applications in the fields of aerospace,defense,and opto-electronics,but polyimides are difficult to be reprocessed and recycled at the end of their service life,resulting in a significant waste of ***,it is of great significance to develop recyclable polyimides with comparable properties to the commercial ***,we report a novel polymer-to-monomers chemically recyclable poly(imide-imine)(PtM-CR-PII)plastic,synthesized by cross-linking the amine-terminated aromatic bisimide monomer and the hexa-vanillin terminated cyclophosphazene monomer via dynamic imine *** PtM-CR-PII plastic exhibits comparable mechanical and thermal properties as well as chemical stability to the commercial *** PtM-CR-PII plastic possesses a high Young’s modulus of≈3.2 GPa and a tensile strength as high as≈108 MPa,which also exhibits high thermal stability with a glass transition temperature of≈220℃.Moreover,the PtM-CR-PII plastic exhibits outstanding waterproofness,acid/alkali-resistance,and solvent-resistance,its appearance and mechanical properties can be well maintained after long-term soaking in water,highly concentrated acid and base,and various organic ***,the cyclophosphazene moieties endow the PtM-CR-PII plastic with excellent flame *** PtM-CR-PII plastic exhibits the highest UL-94 flame-retarding rating of V-0 and a limiting oxygen index(LOI)value of 45.5%.Importantly,the PtM-CR-PII plastic can be depolymerized in an organic solvents-acid mixture medium at room temperature,allowing easy separation and recovery of both monomers in high *** recovered pure monomers can be used to regenerate new PtM-CR-PII plastics,enabling sustainable polymer-monomers-polymer circulation.

关键词： Chemical recyclability Polyimides Polyimines Dynamic imine bonds Mechanical properties Chemical stability