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Encoding and display technologies for combinatorial libraries in drug discovery:The coming of age from biology to therapy

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Acta Pharmaceutica Sinica B 2024年第8期14卷 3362-3384页

作者： Yu Fan Ruibing Feng Xinya zhang Zhen-Liang Wang Feng xiong Shuihua zhang zhang-Feng Zhong Hua Yu Qing-wen zhang zhang zhang Yitao Wang Guodong Li Macao Centre for Research and Development in Chinese Medicine State Key Laboratory of Quality Research in Chinese MedicineInstitute of Chinese Medical SciencesUniversity of MacaoMacao SAR 999078China State Key Laboratory of Quality Research in Chinese Medicine Institute of Chinese Medical SciencesUniversity of MacaoMacao SAR 999078China International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development Ministry of Education(MoE)of People’s Republic of ChinaCollege of PharmacyJinan UniversityGuangzhou 510632China Zhuhai UM Science and Technology Research Institute Zhuhai 519031China Department of Pharmacy Guangzhou Red Cross HospitalFaculty of Medical ScienceJinan UniversityGuangzhou 510632China Geriatric Medicine First People’s Hospital of XinXiang and the Fifth Affiliated Hospital of Xinxiang Medical CollegeXinxiang 453100China Shenzhen Innovation Center for Small Molecule Drug Discovery Co. Ltd.Shenzhen 518000China

Drug discovery is a sophisticated process that incorporates scientific innovations and cuttingedge *** to traditional bioactivity-based screening methods,encoding and display technologies for combinatorial libraries have recently advanced from proof-of-principle experiments to promising tools for pharmaceutical hit discovery due to their high screening efficiency,throughput,and resource *** review systematically summarizes the development history,typology,and prospective applications of encoding and displayed technologies,including phage display,ribosomal display,mRNA display,yeast cell display,one-bead one-compound,DNA-encoded,peptide nucleic acidencoded,and new peptide-encoded technologies,and examples of preclinical and clinical *** discuss the progress of novel targeted therapeutic agents,covering a spectrum from small-molecule inhibitors and nonpeptidic macrocycles to linear,monocyclic,and bicyclic peptides,in addition to *** also address the pending challenges and future prospects of drug discovery,including the size of screening libraries,advantages and disadvantages of the technology,clinical translational potential,and market *** review is intended to establish a comprehensive high-throughput drug discovery strategy for scientific researchers and clinical drug developers.

关键词： Drug screening Phage display DNA-encoded chemical libraries Peptide-encoded chemical libraries Clinical drugs

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Effect of tungsten carbide particles on microstructure and mechanical properties of Cu alloy composite bit matrix

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Journal of Iron and Steel Research International 2024年第2期31卷 519-530页

作者： Ding-qian Dong Feng-yuan He Xin-hui Chen Hui Li Kai-hua Shi Hui-wen xiong Xin Xiang Li zhang College of Mechanical Engineering Sichuan University of Science and EngineeringZigong643000SichuanChina State Key Laboratory of Powder Metallurgy Central South UniversityChangsha410083HunanChina Zigong Cemented Carbide Co. Ltd.Zigong643011SichuanChina Material Corrosion and Protection Key Laboratory of Sichuan Province Sichuan University of Science and EngineeringZigong643000SichuanChina

Copper alloy composite bit matrix was prepared by pressureless vacuum infiltration,using at least one of the three kinds of tungsten carbide particles,for example,irregular cast tungsten carbide,monocrystalline tungsten carbide and sintered reduced tungsten carbide *** effects of powder particle morphology,particle size and mass fraction of tungsten carbide on the microstructure and mechanical properties of copper alloy composite were investigated by means of scanning electron microscopy,X-ray diffraction and abrasive wear test in *** results show that tungsten carbide morphology and particle size have obvious effects on the mechanical properties of copper alloy *** tungsten carbide partially dissolved in the copper alloy binding phase,and layers of Cu_(0.3)W_(0.5)Ni_(0.1)Mn_(0.1)C phase with a thickness of around 8–15μm were formed on the edge of the cast tungsten *** 45%irregular crushed fine cast tungsten carbide and 15%monocrystalline cast tungsten carbide were used as the skeleton,satisfactory comprehensive performance of the reinforced copper alloy composite bit matrix was obtained,with the bending strength,impact toughness and hardness reaching 1048 MPa,4.95 J/cm^(2) and 43.6 HRC,*** main wear mechanism was that the tungsten carbide particles firstly protruded from the friction surface after the copper alloy matrix was worn,and then peeled off from the matrix when further wear occurred.

关键词： Polycrystalline diamond compact Pressureless vacuum infiltration Copper alloy composite bit matrix Microstructure characterization Abrasive wear behavior

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State of the art of lightweight aggregates used in lightweight refractories for working lining of high-temperature furnaces

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Journal of Iron and Steel Research International 2024年第6期31卷 1320-1343页

作者： Wei zhang wen-yong Dai Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016LiaoningChina Research and Development Department AGC Plibrico(Dalian)Industries Inc.Dalian 116600LiaoningChina

Lightweight refractories for the working lining of high-temperature furnaces play an important role in the smelting of advanced steels and *** prepare lightweight refractories for the working lining of high-temperature furnaces,the synthesis of lightweight aggregates is the ***,the research on the synthesis of lightweight aggregates with high service temperature,low thermal conductivity,high strength,and good slag resistance has received widespread *** available literature on the synthesis of lightweight aggregates was summarized,including corundum,mullite,mullite-corundum,spinel,corundum-spinel,cordierite,cordierite-mullite,calcium hexaluminate,corundum-calcium hexaluminate,bauxite,magnesia,magnesia-based,and forsterite-based ***,the future development trend of lightweight aggregates was proposed.

关键词： Lightweight aggregate Lightweight refractory Working lining Apparent porosity Closed porosity Thermal conductivity Pore-forming approach

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Analysis of thermal management and anti-mechanical abuse of multi-functional battery modules based on magneto-sensitive shear thickening fluid

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Applied Mathematics and Mechanics(English Edition) 2024年第3期45卷 529-542页

作者： Yang xiong Bo LU Yicheng SONG Junqian zhang Shanghai Key Laboratory of Mechanics in Energy Engineering Shanghai Frontier Science Center of MechanoinformaticsShanghai Institute of Applied Mathematics and MechanicsSchool of Mechanics and Engineering ScienceShanghai UniversityShanghai 200444China Zhejiang Laboratory Hangzhou 311100China

Electric vehicles(EVs)have garnered significant attention as a vital driver of economic growth and environmental ***,ensuring the safety of high-energy batteries is now a top priority that cannot be overlooked during large-scale *** paper proposes an innovative active protection and cooling integrated battery module using smart materials,magneto-sensitive shear thickening fluid(MSTF),which is specifically designed to address safety threats posed by lithium-ion batteries(LIBs)exposed to harsh mechanical and environmental *** theoretical framework introduces a novel approach for harnessing the smoothed-particle hydrodynamics(SPH)methodology that incorporates the intricate interplay of non-Newtonian fluid behavior,capturing the fluid-structure coupling inherent to the *** approach is further advanced by adopting an enhanced Herschel-Bulkley(H-B)model to encapsulate the intricate rheology of the MSTF under the influence of the magnetorheological effect(MRE)and shear thickening(ST)*** simulation results show that in the case of cooling,the MSTF is an effective cooling medium for rapidly reducing the *** terms of mechanical abuse,the MSTF solidifies through actively applying the magnetic field during mechanical compression and impact within the battery module,resulting in 66%and 61.7%reductions in the maximum stress within the battery jellyroll,and 31.1%and 23%reductions in the reaction force,*** mechanism effectively lowers the risk of short-circuit *** groundbreaking concepts unveiled in this paper for active protection battery modules are anticipated to be a valuable technological breakthrough in the areas of EV safety and lightweight/integrated design.

关键词： magneto-sensitive shear thickening fluid(MSTF) battery module impact protection temperature control integrated design

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ON THE EMPTY BALLS OF A CRITICAL OR SUBCRITICAL BRANCHING RANDOM WALK

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Acta Mathematica Scientia 2024年第5期44卷 2051-2072页

作者： Shuxiong zhang Jie xiong School of Mathematics and Statistics Anhui Normal UniversityWuhu241002China Department of Mathematics and SUSTech International Center for Mathematics Southern University of Science and TechnologyShenzhen518055China

Let{Z_(n)}_(n)≥0 be a critical or subcritical d-dimensional branching random walk started from a Poisson random measure whose intensity measure is the Lebesugue measure onℝ^(d).Denote by R_(n):=sup{u>0:Z_(n)({x∈ℝ^(... 详细信息

关键词： empty ball dimension branching random walk super-Brownian motion

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Single Ti atoms coupled with Ti-O clusters enable low temperature hydrogen cycling by sodium alanate

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Rare Metals 2024年第6期43卷 2671-2681页

作者： Zhuang-He Ren Xin zhang wen-Xuan zhang Zhen-Guo Huang Li-Mei Yang Ya-xiong Yang Zheng-Long Li Juan Li wen-Ping Sun Ming-Xia Gao Hong-Ge Pan Yong-Feng Liu State Key Laboratory of Silicon and Advanced Semiconductor Materials Zhejiang UniversityHangzhou 310027China School of Materials Science and Engineering Zhejiang UniversityHangzhou 310058China School of Civil&Environmental Engineering.University of Technology Sydney Sydney2007 NSWAustralia Institute of Science and Technology for New Energy Xi'an Technological UniversityXi'an 710021China College of Materials Science and Engineering Zhejiang University of TechnologyHangzhou 310014China

Ti-based catalysts are known to improve the hydrogen storage performance of NaAlH4by facilitating the dissociation/recombination of H-H and Al-H *** catalytic activity of metallic Ti species strongly depends on its particle size and *** clusters and even single atoms are therefore highly desirable,but their controllable fabrication has been highly *** rein,we demonstrate a novel facile sonochemical synthesis of a Ti-O clusters featuring single Ti atom catalyst at room *** reducing TiCl_(4)by MgBu_(2)with ultrasound instead of heating as driving force,numerous single Ti atoms coupled with Ti-O clusters with Ti loading on graphene(Ti_(1)/Ti-O@G)up to 22.6 wt%have been successfully *** prepared Ti_(1)/Ti-O@G contributes high reactivity and superior catalytic activity,therefore enabling full dehydrogenation of NaAlH_(4)at 80℃in thermogravimetric mode and re-hydrogenation at 30℃and 10 MPa with 4.9 wt% H_(2).This fact indicates for the first time that single Ti atom catalyst with high loading is highly effective in catalyzing hydrogen cycling of NaAlH4at remarkably reduced temperatures.

关键词： Hydrogen storage Nanocatalysis Transition metals Single Ti atoms NaAlH_(4)

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Self-separation ionic liquid catalyst for the highly effective conversion of H2S by α,β-unsaturated carboxylate esters under mild conditions

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Green Energy & Environment 2024年第9期9卷 1440-1448页

作者： wenjie xiong Xiaomin zhang Xingbang Hu Youting Wu Key Laboratory of Mesoscopic Chemistry of MOE School of Chemistry and Chemical Engineering Nanjing University The Institute of Green Chemistry and Engineering School of Chemistry and Chemical Engineering Nanjing University

The deep-processing utility of pure hydrogen sulfide （H2S） is a significant direction in natural gas chemical ***,a brand-new strategy of H2S conversion by a,β-unsaturated carboxylate esters into thiols or thioethers using task-specific carboxylate ionic liquids （ILs） as catalyst has been developed,firstly accomplishing the phase separation of product and catalyst without introducing the third *** can be considered as a cascade reaction in which the product selectivity can be controlled by adjusting the molar ratio of H2S to a,β-unsaturated carboxylate ***,the effects of ILs with different anions and cations,intermittent feeding operations,as well as pressure-time kinetic behaviors on cascade reaction were ***,the proposed interaction mechanism of H2S conversion using butyl acrylate catalyzed by[Emim][Ac]was revealed by DFT-based theoretical *** approach enables the self-phase separation promotion of catalyst and product and achieves 99%quantitative conversion under mild conditions in the absence of solvent,making the entire process ecologically ***-efficiency reaction activity can still be maintained after ten cycles of the ***,the good results,combined with its simplicity of operation and the high recyclability of the catalyst,make this green method environmentally friendly and *** is anticipated that this self-separation method mediated by task-specific ILs will provide a feasible strategy for H2S utilization,which will guide its application on an industrial scale.

关键词： Ionic liquid Cascade reaction Self-separation H 2 S conversion Catalysis

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Effect of Fe_(2)O_(3)on the Structure,Physical Properties and Crystallization of CaO-Al_(2)O_(3)-SiO_(2)Glass

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Journal of Wuhan University of Technology(Materials Science) 2024年第4期39卷 954-961页

作者：张峰 xiong Dehua 谢俊张继红 HAN Jianjun CHEN Dequan wen Zhongquan FAN Zhenhua CHEN Lina SUN Tengfei State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China Hepu Research Center for Silicate Materials Industry Technology Beihai 536100China Hainan Institute of Wuhan University of Technology Sanya 430079China Shenzhen Research Institute of Wuhan University of Technology Shenzhen 518000China Chongqing Polycomp Inter-national Corporation Chongqing 400400China

The calcium aluminosilicate-based glasses(CaO-Al_(2)O_(3)-SiO_(2),CAS)with different Fe_(2)O_(3)content(0.10wt%,0.50wt%,0.90wt%,and 1.30wt%)were prepared by traditional melt-quenching *** glass network structure,thermal and mechanical properties,and crystallization behavior changes were investigated by nuclear magnetic resonance spectrometer,Fourier-transform infrared spectro-photometer,X-ray diffractometer,differential scanning calorimetry and field emission scanning electron microscope *** change of Q^(n)in glass structures reveals the glass network connectivity decreases due to the increasing content of Fe_(2)O_(3)addition,resulting in the increasing of non-bridging number in glass *** glass densities slightly rise from 2.644 to 2.681 g/cm^(3),while Vickers’s hardness increases at first,from 6.469 to 6.901 GPa,then slightly drops to 6.745 GPa,with Fe_(2)O_(3)content *** is almost no thermal expansion coefficient change from different Fe_(2)O_(3)*** glass transmittance in visible range gradually decreases with higher Fe_(2)O_(3)content,resulting from the strong absorption of Fe^(2+)and Fe^(3+)*** calculated activation energy from thermal analysis results first decreases from 282.70 to 231.18 kJ/mol,and then increases to 244.02 kJ/mol,with the Fe_(2)O_(3)content increasing from 0.10wt%to 1.30wt%.Meanwhile,the maximum Avrami constant of 2.33 means the CAS glasses exhibit two-dimensional *** of the CAS glass-ceramics samples contain main crystal phase of anorthite,the microstructure appears lamellar and columnar crystals.

关键词： calcium aluminosilicate glass network structure physical properties crystallization

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Rare-Earth Metal Boroxide with Formal Triple Metal-Oxygen Orbital Interaction:Synthesis from B(C_(6)F_(5))_(3)·H_(2)O and Radical-Anion Ligated Rare-Earth Metal Amides

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CCS Chemistry 2021年第11期3卷 2772-2781页

作者： Haihan Yan Botao Wu Xiao-Kun Zhao Chao Yu Junnian Wei Han-Shi Hu wen-xiong zhang Zhenfeng Xi Beijing National Laboratory for Molecular Sciences MOE Key Laboratory of Bioorganic Chemistry and Molecular EngineeringCollege of ChemistryPeking UniversityBeijing 100871 Department of Chemistry Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of EducationTsinghua UniversityBeijing 100084

Rare-earth metal boroxides are not only rare and of great synthetic challenge but also important theoretically due to their unrevealed bonding *** this paper,we report the synthesis,characterization,and bonding characteristics of the 4f-block metal boroxide complexes ^(Mes)DAD_(2)LuOB(C_(6)F_(5))X(4-Lu,X=C_(6)F_(5);5-Lu,X=NC_(13)H_(10))with two chelating radical-anionic 1,4-diazabutadiene(DAD)*** synthesis of 4-Lu or 5-Lu involved three steps,during which the radical-anionic DAD ligands could be kept stable:(1)the reaction of LuCl_(3),^(Mes)DAD,and potassium graphite(KC8)afforded the diradical rare-earth metal chloride ^(Mes)DAD_(2)LuCl·tetrahydrofuran(THF)(1-Lu);(2)the salt metathesis of 1-Lu with two alkali metal amides gave lutetium bis(diazabutadiene)amides 2-Lu or 3-Lu,respectively;and(3)2-Lu or 3-Lu reacted with B(C_(6)F_(5))_(3)·H_(2)O,resulting in the formation of rare-earth metal boroxides 4-Lu or *** radical-anionic nature of DAD ligands in these complexes were proven by their bond lengths and coordination modes in single-crystal *** calculations clearly show the bonding of 4-Lu can be divided into three major types of Lu-O orbital interactions,which can be categorized asσ-donation,π-donation,and d-π-*** triple Lu-O orbital interactions cooperatively make a Lu-O single bond and contribute to the linear Lu-O-B structure.

关键词： rare-earth metals boroxide radical-anion ligands orbital interaction

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Dinitrogen Activation of Cyclopentadienyl-Phosphine–Iron Complexes of Three Different Valences

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CCS Chemistry 2021年第12期3卷 308-316页

作者： Gao-Xiang Wang Jianhao Yin Jiapeng Li Zhu-Bao Yin Botao Wu Junnian Wei wen-xiong zhang Zhenfeng Xi Beijing National Laboratory for Molecular Sciences(BNLMS) Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of EducationCollege of ChemistryPeking UniversityBeijing 100871

A series of structurally well-defined iron-dinitrogen complexes(LFe-N2)bearing cyclopentadienylphosphine ligands(L)were synthesized and analyzed by single-crystal X-ray structural analysis,IR/Raman spectra,magnetometry,Mössbauer spectroscopy,and elemental *** conversion relationship and the change of the spin states among the iron complexes with different valences were studied in detail.

关键词： cyclopentadienyl-phosphine ligand dinitrogen fixation iron complex structural elucidation

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