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Modular Click Chemistry Library:Searching for Better Functions

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Chinese Journal of Chemistry 2021年第4期39卷 1025-1027页

作者： jiong zhang Jiajia Dong Key Laboratory of Organofluorine Chemistry Center for Excellence in Molecular SynthesisShanghai Institute of Organic ChemistryUniversity of the Chinese Academy of SciencesChinese Academy of SciencesShanghai 200032China

High throughput screening towards chemical libraries is the primary way to discover lead compounds in developing innovative drugs,especially new molecular ***,the preparation of chemical libraries is the key step for drug ***,con-ventional small molecule chemical libraries and DNA-encoded chemical libraries are the main models of chemical libraries for high-throughput ***,a new model of chemical library,calledmodular click chemistry library,was proposed,which gives us an alternative choice to construct chemical libraries for high throughput screening and exhibits broad prospects to accelerate drug ***,this article mainly focuses on the strategy to prepare the modular click chemistry library.

关键词： Click chemistry SuFEx Modular click chemistry library Chemical library High throughput screening

Mathematical Model for Growth of Inclusion in Deoxidization on the Basis of Unreacted Core Model

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Journal of Iron and Steel Research International 2008年第6期15卷 24-28页

作者： WU Su zhou zhang jiong-ming Metallurgical and Ecological Engineering School University of Science and Technology Beijing Beijing 100083 China

Controlling inclusion composition, from the point of view of thermodynamics, only explains the probability and limit of reaction. However, kinetics makes the nucleation and the velocity of growth of inclusions clear, and these kinetic factors are very important to the quality of slab. The basic kinetic theory of unreacted core model was used to build the mathematical model for the growth of inclusions and the concerned software was developed through Visual Basic 6.0. The time that different radius inclusions attain saturation was calculated to determine the controlling step of reaction between steel and inclusions. The time for the growth of inclusion obtained from the model was in good agreement with the data measured by Japanese Okuyama G, which indicated that the model is reasonable.

关键词： inclusion finite difference method kinetic theory unreacted core model

The synthesis of benzoxaboroles and their applications in medicinal chemistry

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Science China Chemistry 2013年第10期56卷 1372-1381页

作者： zhang jiong ZHU MingYan LIN YiNan ZHOU HuChen School of Pharmacy Shanghai Jiao Tong University

Benzoxaborole,as a versatile scaffold,plays important roles in organic synthesis,molecular recognition and supramolecular *** is also a privileged structure in medicinal chemistry due to its desirable physicochemical and drug-like ***,benzoxaboroles were widely applied as antifungal,antibacterial,antiviral,anti-parasite,and anti-inflammatory *** review covers the properties,synthetic methods and applications of benzoxaboroles in medicinal chemistry.

关键词： benzoxaboroles synthetic methods medicinal chemistry

SOLUTION OF MULTIPLE CRACKS IN A FINITE PLATE OF AN ELASTIC ISOTROPIC MATERIAL WITH THE DISTRIBUTED DISLOCATION METHOD

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Acta Mechanica Solida Sinica 2014年第3期27卷 276-283页

作者： jiong zhang Zhan Qu Qiqing Huang Lechun Xie Cenbo Xiong School of Aeronautics Northwestern Polytechnical University School of Materials Science and Engineering Shanghai Jiao Tong University School of Mechanical and Vehicular Engineering Beijing Institute of Technology

This paper presents a numerical solution to model multiple cracks in a finite plate of an elastic isotropic material. Both the boundaries and the cracks are modeled by distributed dislocations. This method results in a system of singular integral equations with Cauchy kernels which can be solved by Gauss-Chebyshev quadrature method. Four examples are provided to assess the capability of this method.

关键词： distributed dislocation multiple cracks finite plate

Numerical simulation of macrosegregation in billet continuous casting influenced by electromagnetic stirring

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Journal of Iron and Steel Research International 2022年第4期29卷 612-627页

作者： Qi-peng Dong jiong-ming zhang Yan-bin Yin Hiromi Nagaumi School of Iron and Steel High-Performance Metal Structural Materials Research InstituteSoochow UniversitySuzhou 215021JiangsuChina State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

A three-dimensional numerical model coupling the macrosegregation and magnetohydrodynamic simulations was developed to investigate the effects of electromagnetic stirring(EMS)on the *** results show that a significant swirling flow was induced by the in-mold EMS,which further changed the shape of the solidification shell and homogenized the solute elements in ***,the effects were only confined to the initial billet *** improvement in centerline segregation was observed with the usage of the final EMS(F-EMS),which led to the forced convection at the final solidification *** solute elements in the mushy zone were significantly even,with the maximum segregation degree of solute C reducing from 1.311 to *** addition,the effects of the stirrer positions and currents of F-EMS on the macrosegregation alleviation were numerically *** values of centerline segregation were predicted with various stirrer positions and currents,and there is an optimum stirrer parameter to obtain the best macrosegregation *** the experimental conditions,the optimum position was about 7 m away from meniscus,and the optimum current was 300 A.

关键词： Numerical simulation Macrosegregation Electromagnetic stirring Continuous casting

Mathematic Model of SEN Clogging During Continuous Casting of Steel

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Journal of Iron and Steel Research International 2010年第8期17卷 6-9页

作者： WU Su-zhou zhang jiong-ming LI Zhi-zheng School of Metallurgical and Ecological Engineering University of Science and Technology Beijing Beijing 100083 China

The SEN clogging is a serious problem for continuous casting operation and steel *** kinetics mathematic model of SEN clogging during steel continuous casting is *** fluid flow and inclusions motion are calculated by means of mathematic *** of diameters of inclusions,roughness of nozzle,diameter of nozzle and casting speed on the entrapment probability are calculated and *** result shows that inclusions are more easily to attach to the nozzle by the following condition：smaller inclusion size,larger roughness of the wall and the smaller bulk velocity in the nozzle.

关键词： nozzle clogging mathematic model inclusion motion

Numerical Approaches for Linear Left-invariant Diffusions on SE(2), their Comparison to Exact Solutions, and their Applications in Retinal Imaging

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Numerical Mathematics(Theory,Methods and Applications) 2016年第1期9卷 1-50页

作者： jiong zhang Remco Duits Gonzalo Sanguinetti Bart Mter Haar Romeny Department of Biomedical Engineering Biomedical Image Analysis(BMIA) Department of Mathematics and Computer Science Image Science and Technology(IST/e) Eindhoven University of Technology P.O.Box 5135600 MBEindhovenThe Netherlands Northeastern University ShenyangChina

Left-invariant PDE-evolutions on the roto-translation group SE(2)(and their resolvent equations)have been widely studied in the fields of cortical model-ing and image *** include hypo-elliptic diffusion(for contour enhance-ment)proposed by Citti&Sarti,and Petitot,and they include the direction process(for contour completion)proposed by *** paper presents a thorough study and comparison of the many numerical approaches,which,remarkably,are missing in the *** numerical approaches can be classified into 3 categories:Finite difference methods,Fourier based methods(equivalent to SE(2)-Fourier methods),and stochastic methods(Monte Carlo simulations).There are also 3 types of exact solutions to the PDE-evolutions that were derived explicitly(in the spatial Fourier domain)in previous works by Duits and van Almsick in *** we provide an overview of these 3 types of exact solutions and explain how they relate to each of the 3 numerical *** compute relative errors of all nu-merical approaches to the exact solutions,and the Fourier based methods show us the best performance with smallest relative *** also provide an improvement of Mathematica algorithms for evaluating Mathieu-functions,crucial in implemen-tations of the exact ***,we include an asymptotical analysis of the singularities within the kernels and we propose a probabilistic extension of un-derlying stochastic processes that overcomes the singular behavior in the origin of time-integrated ***,we show retinal imaging applications of combining left-invariant PDE-evolutions with invertible orientation scores.

关键词： Brownian motion Euclidean motion group PDE’s on SE(2) Mathieu operators contour completion contour enhancement retinal imaging

Repaired morphology of CO_(2)laser rapid ablation mitigation of fused silica and its influence on downstream light modulation

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Science China(Technological Sciences) 2022年第5期65卷 1116-1126页

作者： TAN Chao ZHAO LinJie CHEN MingJun CHENG Jian zhang Yu zhang jiong YANG Hao YIN ZhaoYang State Key Laboratory of Robotics and System Harbin Institute of TechnologyHarbin150001China Department of Mechanical Engineering National University of SingaporeSingapore117575Singapore

The threat of cascading damage to downstream components caused by the light modulation intensification of laser repaired morphology on the surface of fused silica optics cannot be ignored in high-power laser *** paper uses the angular spectrum diffraction theory based on the analysis of repaired surface morphology of CO_(2)laser rapid ablation mitigation to study the influence of different repaired morphologies on the downstream 355 nm laser *** show that the arc-shaped laser processing lines on the repaired surface are formed by the residual height superposition of the material after laser scanning of two adjacent layers,and the short-pulse laser can substantially suppress the heat-affected zone of the repaired *** offaxis ring caustic and on-axis hotspot are sequentially generated in the downstream modulated light fields of the conical repaired sites with different diameters.A secondary peak with modulation larger than 3 emerges downstream of the modulation ***,the maximum modulation and the secondary peak increase with the diameter and cone angle of the repaired site,and the position of the secondary peak appears farther away from the rear *** modulations of three repaired sites with cone angles of 15°,20°,and 25°can finally be stabilized below ***,the downstream optics should be installed far away from the positions where the maximum modulation and the secondary peak ***,the maximum value and the secondary peak of the downstream light modulation of double repaired sites are larger than that of the single repaired site,and both rise as the repaired sizes ***,large-scale and large-size repairing of multiple surface damages in the same area should be avoided in the laser repairing of fused silica.

关键词： fused silica laser repairing morphology light modulation secondary peak double repaired sites

Termination Time of the Emeishan Basalts in the Buotuo Region, SW China

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Acta Geologica Sinica(English Edition) 2018年第6期92卷 2448-2450页

作者： TAN Hongqi NI Zhiyao ZHU Zhimin XU Gang zhang jiong College of Earth Sciences Chengdu University of Technology Institute of Multipurpose Utilization of Mineral Resources Chinese Academy of Geological Sciences Northwest Sichuan Geological Team Sichuan Geology and Mineral Bureau

Objective The Emeishan Large Igneous Province(LIP) is considered to represent a major Later Permian basaltic magmatism in the western margin of the Yangtze Block in South China. Previous geochronological studies on mafic intrusion and felsic ignimbrite have assigned an eruption age of 259–263 Ma for the Emeishan LIP(Zhong et al., 2010), accompanied by regional domal uplift(Mabi Awei et al., 2017). The Xuanwei Formation was formed after the termination of the Emeishan flood basalt volcanism. The uppermost silicic members in the center of the LIP were

关键词： MS SW China Pb ICP