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Optimal Shape Factor and Fictitious Radius in the MQ-RBF:Solving Ill-Posed Laplacian Problems

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 3189-3208页

作者： Chein-Shan liu Chung-Lun Kuo Chih-wen Chang Center of Excellence for Ocean Engineering Taiwan Ocean UniversityKeelung202301TaiwanChina Department of Mechanical Engineering National United UniversityMiaoli36063TaiwanChina

To solve the Laplacian problems,we adopt a meshless method with the multiquadric radial basis function(MQRBF)as a basis whose center is distributed inside a circle with a fictitious radius.A maximal projection technique is developed to identify the optimal shape factor and fictitious radius by minimizing a merit function.A sample function is interpolated by theMQ-RBF to provide a trial coefficient vector to compute the merit *** can quickly determine the optimal values of the parameters within a preferred rage using the golden section search *** novel method provides the optimal values of parameters and,hence,an optimal MQ-RBF;the performance of the method is validated in numerical ***,nonharmonic problems are transformed to the Poisson equation endowed with a homogeneous boundary condition;this can overcome the problem of these problems being *** optimal MQ-RBF is extremely *** further propose a novel optimal polynomial method to solve the nonharmonic problems,which achieves high precision up to an order of 10^(−11).

关键词： Laplace equation nonharmonic boundary value problem Ill-posed problem maximal projection optimal shape factor and fictitious radius optimal MQ-RBF optimal polynomial method

Tb(Ⅲ)functionalized MOF based self-calibrating sensor integrated with logic gate operation for efficient epinephrine detection in serum

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Journal of Rare Earths 2024年第5期42卷 987-994,I0006页

作者： Dongsheng Zhao wenqian Li Rongmei wen wencui Li Xin liu Xiutang Zhang Liming Fan Shanxi Key Laboratory of Advanced Carbon Electrode Materials Shanxi Coal Mine Water Treatment Technology Innovation CenterSchool of Chemistry and Chemical EngineeringNorth University of ChinaTaiyuan030051China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) College of ChemistryNankai UniversityTianjin300071China

By anchoring Tb^(3+)ions on its free carboxyl groups of the nanocaged NiMOF,a dual-emission self-calibrating sensor of Tb^(3+)@NiMOF was fabricated through coordination post-synthetic modification(PSM)*** Tb^(3+)ions as the secondary fluorescent signal and sensing active sites,Tb^(3+)@NiMOF presents great potentials in visually and efficiently monitoring EPI in serum,with high sensitivity and selectivity,fast response,excellent recyclable,and the low detection limit(LOD,3.06 ng/mL).Furthermore,a tandem combinational logic gate based intelligent detection system was constructed to improve the practicability and convenience of epinephrine(EPI)detection in serum by comparing the light emitted colour with the series standard colour cards preset in the *** work provides a promising approach of developing metal-organic frameworks(MOFs)based self-calibrating sensors for intelligent detection of bioactive molecules.

关键词： Metal-organic framework Post-synthetic modification Self-calibrating sensor Logic gate operation Epinephrine detection Rare earths

Ice-Induced Vibrational Response of Single-Pile Offshore Wind-Turbine Foundations

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Fluid Dynamics & Materials Processing 2024年第3期20卷 625-639页

作者： Zhoujie Zhu gang Wang Qingquan liu Guojun Wang Rui Dong Dayong Zhang Department of Renewable Energy Engineering PowerChina Huadong Engineering Corporation LimitedHangzhou311122China School of Ocean Science and Technology Dalian University of TechnologyPanjin124221China Ningbo Institute of Dalian University of Technology Ningbo315000China

Important challenges must be addressed to make wind turbines sustainable renewable energy sources.A typical problem concerns the design of the *** the pile diameter is larger than that of the jacket platform,traditional mechanical models cannot be *** this study,relying on the seabed soil data of an offshore wind farm,the m-method and the equivalent embedded method are used to address the single-pile wind turbine foundation problem for different pile *** approach to determine the equivalent pile length is also proposed *** results provide evidence for the effectiveness and reliability of the model based on the equivalent embedded method.

关键词： Wind turbine ice-induced vibration dynamic response equivalent embedded method

Deep learning for drug-drug interaction prediction:A comprehensive review

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Quantitative Biology 2024年第1期12卷 30-52页

作者： Xinyue Li Zhankun Xiong wen Zhang Shichao liu College of Informatics Huazhong Agricultural UniversityWuhanChina

The prediction of drug-drug interactions(DDIs)is a crucial task for drug safety research,and identifying potential DDIs helps us to explore the mechanism behind combinatorial *** wet chemical experiments for DDI are cumbersome and time-consuming,and are too small in scale,limiting the efficiency of DDI ***,it is particularly crucial to develop improved computational methods for detecting drug *** the development of deep learning,several computational models based on deep learning have been proposed for DDI *** this review,we summarized the high-quality DDI prediction methods based on deep learning in recent years,and divided them into four categories:neural network-based methods,graph neural network-based methods,knowledge graph-based methods,and multimodal-based ***,we discuss the challenges of existing methods and future potential *** review reveals that deep learning can significantly improve DDI prediction performance compared to traditional machine *** learning models can scale to large-scale datasets and accept multiple data types as input,thus making DDI predictions more efficient and accurate.

关键词： deep learning drug-drug interactions graph neural network knowledge graph multimodal deep learning neural network

Pt nanoclusters modified porous g-C_(3)N_(4)nanosheets to significantly enhance hydrogen production by photocatalytic water reforming of methanol

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Chinese Journal of Chemical Engineering 2024年第2期66卷 40-50页

作者： Yi-Fei Liang Jin-Rong Lu Shang-Kun Tian wen-Quan Cui Li liu Hebei Provincial Key Laboratory of Environmental Photocatalytic and Electrocatalytic Materials College of Chemical EngineeringNorth China University of Science and TechnologyTangshan 063210China

For the use of green hydrogen energy,it is crucial to have efficient photocatalytic activity for hydrogen generation by water reforming of methanol under mild *** attention has been paid to gC_(3)N_(4)as a promising photocatalyst for the generation of *** improve the separation of photogenerated charge,porous nanosheet g-C_(3)N_(4)was modified with Pt nanoclusters(Pt/g-C_(3)N_(4))through impregnation and following photo-induced *** catalyst showed excellent photocatalytic activity of water reforming of methanol fo r hydrogen production with a 17.12 mmol·g^(-1)·h^(-1)rate at room temperature,which was 311 times higher than that of the unmodified g-C_(3)N_(4).The strong interactions of Pt-N in Pt/g-C_(3)N_(4)constructed effective electron transfer channels to promote the separation of photogenerated electrons and holes *** addition,in-situ infrared spectroscopy was used to investigate the intermediates of the hydrogen production reaction,which proved that methanol and water eventually turn into H_(2)and CO_(2)via formaldehyde and *** study provides insights for understanding the photocatalytic hydrogen production in the water reforming of methanol.

关键词： Water reforming of methanol Photocatalysis g-C_(3)N_(4) Pt nanoclusters Hydrogen production

Elaborative collection of condensed combustion products of solid propellants:Towards a real Solid Rocket Motor(SRM)operational environment

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Chinese Journal of Aeronautics 2024年第1期37卷 77-88页

作者： wenchao ZHANG Zhimin FAN Dongliang GOU Yao SHU Peijin liu Aimin PANG wen AO National Key Laboratory of Solid Rocket Propulsion Northwestern Polytechnical UniversityXi’an 710072China Science and Technology on Aerospace Chemical Power Laboratory Xiangyang 441003China

A novel constant-pressure and constant-quenching distance Condensed Combustion Products(CCPs)collection system was developed,coupled with a timing control system,to collect the CCPs formed in the course of burning of aluminum-based composite *** effects of adiabatic graphite plating,collection zone,quenching distance,time series of collection,and propellant burning rate on the microscopic morphology,particle size distribution and unburned aluminum content of CCPs were *** was verified that the graphite plating can provide a high-fidelity high-temperature environment for propellant *** combustion efficiency is improved by 2.44% compared to the bare propellant *** time series of collection has a significant effect on the combustion efficiency of aluminum,and the combustion efficiency of aluminum in the thermal state(1.2-2.4 s)is 2.75% higher than that in the cold state(0-1.2 s).Similarly,the characteristics of the CCPs in different collection zones are *** the quenching distance of 5 mm,the combustion efficiency of aluminum in the core zone(85.39%)is much lower than that in the outer zone(92.07%),while the particle size of the CCPs in the core zone(172μm)is larger than that in the outer zone(41μm).This indicates that the core zone is more likely to produce large-sized and incompletely burned agglomerates during the propellant combustion *** burning rates also lead to a significant difference in particle size distribution and combustion *** burning rates result in higher combustion efficiency.A detailed sequence of the elaborative collection process of CCPs is proposed,mainly including the setting of ignition delay time,burning rate,working pressure,plating length and time series of *** findings of this study are expected to provide a reliable tool for the evaluation of the combustion efficiency of solid propellants.

关键词： Composite propellants Condensed combustion products Aluminum Combustion efficiency Particle size distribution

Purification performance on molten steel of novel Al_(2)O_(3)-based ceramic filter prepared from microporous powder and nano-Al_(2)O_(3) powder

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Journal of Iron and Steel Research International 2024年第6期31卷 1535-1546页

作者： Zhe Chen wen Yan Ying liu Guang-qiang Li Shao-song Hong Nan Li The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina Jiangsu Shengnai New Materials Co. Ltd.Taizhou 225534JiangsuChina

Reticulated ceramic foam filters provide an effective way to purify molten steel by removing non-metallic *** proposed a novel strategy to improve the purification performance of Al_(2)O_(3)-based ceramic filters by using microporous corundum-spinel raw materials to replace dense raw *** kinds of Al_(2)O_(3)-based ceramic filters fabricated from dense α-Al_(2)O_(3) micro-powder or microporous corundum-spinel powder were selected to carry out the immersion tests with molten *** the one hand,the higher surface roughness of the filter skeleton prepared from microporous raw materials increased the adsorption capacity of skeleton surface on inclusions in molten *** the other hand,the higher apparent porosity and larger pore size of the filter skeleton were more beneficial to the penetration of molten steel in the micropores of *** reaction process at the solid-liquid interface also improved the wettability of the interface between skeleton and molten steel,resulting in a larger penetration depth and a better adsorption effect on the *** summary,the novel Al_(2)O_(3)-based ceramic filter prepared with microporous corundum-spinel powder and addition of 5 wt.% nano-Al_(2)O_(3) powder reduced the total oxygen content of the steel from 40.2×10^(-4) to 12.7×10^(-4) wt.% by 68.4% and the Al content from 0.46 to 0.18 wt.% by 60.9% after immersion test,presenting the most excellent purification performance on molten steel.

关键词： Al_(2)O_(3)-based ceramic filter Microporous corundum-spinel powder Non-metallic inclusion-Microstructure Molten steel purification

Ni-Catalyzed Enantioselective Difunctionalization of Alkynes to Azepine Derivatives Bearing a Quaternary Center and an Unprotected Imine

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Chinese Journal of Chemistry 2024年第8期42卷 873-878页

作者： Jian Long Zhiwu Lu Xiao-Lin Li Peng Xue wen-Bo liu Engineering Research Center of Organosilicon Compounds&Materials(Ministry of Education)and College of Chemistry and Molecular Sciences Wuhan UniversityWuhanHubei430072 China

Comprehensive Summary,The azepine ring is a prominent structural scaffold in biologically significant molecules. In this study, we present a Ni(II)-catalyzed asymmetric difunctionalization of alkynes, involving intermolecular regioselective arylation and intramolecular nitrile addition, enabling the synthesis of enantioenriched azepine derivatives. This reaction simultaneously installs an all-carbon quaternary stereocenter and introduces an unprotected imine functionality, showing great promise for subsequent transformations. The reaction exhibits good tolerance toward various functional groups, resulting in high yields and enantioselectivities. The synthetic utility of this methodology is further demonstrated through gram-scale synthesis and product derivatization. This research offers an efficient approach to the synthesis of seven-membered nitrogen heterocycles.

关键词： Nickel Asymmetric catalysis N-Heterocycles Alkyne functionalization Quaternary centers

Ferrihydrite transformation impacted by coprecipitation of lignin:Inhibition or facilitation?

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Journal of Environmental Sciences 2024年第5期139卷 23-33页

作者： Lin liu Zhihui Yang Weichun Yang wen Jiang Qi Liao Mengying Si Feiping Zhao School of Metallurgy and Environment Central South UniversityChangsha 410083China Chinese National Engineering Research Center for Control&Treatment of Heavy Metal Pollution(CNERC-CTHMP) Changsha 410083China

Lignin is a common soil organic matter that is present in soils,but its effect on the transformation of ferrihydrite(Fh)remains *** matter is generally assumed to inhibit Fh ***,lignin can reduce Fh to Fe(Ⅱ),in which Fe(Ⅱ)-catalyzed Fh transformation ***,the effects of lignin on Fh transformation were investigated at 75℃ as a function of the lignin/Fh mass ratio(0-0.2),pH(4-8)and aging time(0-96 hr).The results of Fh-lignin samples(mass ratios=0.1)aged at different pH values showed that for Fh-lignin the time of Fh transformation into secondary crystalline minerals was significantly shortened at pH 6 when compared with pure Fh,and the Fe(Ⅱ)-accelerated transformation of Fh was strongly dependent on *** pH 6,at low lignin/Fh mass ratios(0.05-0.1),the time of secondary mineral formation decreased with increasing lignin *** high lignosulfonate-content material(lignin:Fh=0.2),Fh did not transform into secondary minerals,indicating that lignin content plays a major role in Fh *** addition,lignin affected the pathway of Fh transformation by inhibiting goethite formation and facilitating hematite *** effect of coprecipitation of lignin on Fh transformation should be useful in understanding the complex iron and carbon cycles in a soil environment.

关键词： Ferrihydrite transformation Lignin Hematite Goethite Fe(Ⅱ)-catalyzed Reactive Fe(Ⅲ)species