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Azocalixarenes: a scaffold of universal excipients with high efficiency

Science China Chemistry 2024年第5期67卷 1697-1706页

作者： Yu-xin Yue yi-Lin Lin Meng-Meng Chen Han-Wen Tian Rong ma Ze-Han Wang Fang-Yuan Chen Yu-Chen Pan Dong-Sheng Guo College of Chemistry State Key Laboratory of Elemento-Organic ChemistryKey Laboratory of Functional Polymer Materials(Ministry of Education)Frontiers Science Center for New Organic MatterCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Nankai UniversityTianjin 300071China

Excipients are important components of pharmaceutical preparations that affect their quality, safety, and efficacy. macrocyclic receptors are a family of supramolecular excipients with several advantages, including molecular-level protection, small sizes,fast kinetics of host-guest recognition, and modular construction. With the continuous advances in the medical field, personalized and precision medicine requires the development of excipients with low dosages, integrated modifying effects, universality,and controlled release. To meet these requirements, we have developed a new family of macrocyclic excipients based on calixarenes by integrating their covalent(broad chemical design space) and noncovalent(wide range of substrates) ***, azocalixarenes(Azo CAs) were designed, showing high binding affinities to a broad spectrum of active pharmaceutical ingredients(APIs), selectivity to interferents, and responsiveness to hypoxic microenvironments. Due to their highly efficient and controllable recognition, Azo CAs serve as low-dose excipients for 30 APIs. Molecular encapsulation by Azo CAs results in the integrated modification of the physicochemical properties of APIs, including solubility, stability, bioavailability,and biocompatibility. Moreover, Azo CAs can be reduced by azoreductases overexpressed in hypoxic microenvironments,leading to the controlled release of APIs. Collectively, Azo CA excipients have broad application prospects for a series of diseases such as enteritis, arthritis, stroke, cancer, bacterial infection and kidney injury, with diverse therapeutic modalities,including chemotherapy, photodynamic therapy, photothermal therapy, immunotherapy, boron neutron capture therapy, radiotherapy, fluorescence imaging, and their combinations.

关键词： supramolecular chemistry host-guest systems excipient calixarene molecular recognition

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Evolution of High-energy Electron Distribution in Pulsar Wind Nebulae

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Research in Astronomy and Astrophysics 2024年第7期24卷 198-214页

作者： yi-Ming Liu Hou-Dun Zeng Yu-Liang xin Si-Ming Liu yi Zhang Key Laboratory of Dark matter and Space Astronomy Purple Mountain ObservatoryChinese Academy of SciencesNanjing 210023China School of Astronomy and Space Science University of Science and Technology of ChinaHefei 230026China School of Physical Science and Technology Southwest Jiaotong UniversityChengdu 610031China

In this paper,we analyze the spectral energy distributions of 17 powerful(with a spin-down luminosity greater than10~(35)erg s~(-1))young(with an age less than 15,000 yr)pulsar wind nebulae(PWNe)using a simple timein-dependent one-zone emission *** aim is to investigate correlations between model parameters and the ages of the corresponding PWNe,thereby revealing the evolution of high-energy electron distributions within *** findings are as follows:(1)The electron distributions in PWNe can be characterized by a double power-law with a super-exponential cutoff.(2)As PWNe evolve,the high-energy end of the electron distribution spectrum becomes harder with the index decreasing from approximately 3.5 to 2.5,while the low-energy end spectrum index remains constant near 1.5.(3)There is no apparent correlation between the break energy or cutoff energy and the age of PWNe.(4)The average magnetic field within PWNe decreases with age,leading to a positive correlation between the energy loss timescale of electrons at the break energy or the high-energy cutoff and the age of the PWN.(5)The total electron energy within PWNe remains constant near 2×10~(48)erg,while the total magnetic energy decreases with age.

关键词： radiation mechanisms non-thermal-ISM general-ISM supernova remnants-gamma-rays general

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Molecular Generation and Optimization of Molecular Properties Using a Transformer Model

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Big Data Mining and Analytics 2024年第1期7卷 142-155页

作者： Zhongyin Xu Xiujuan Lei Mei ma yi Pan School of Computer Science Shaanxi Normal UniversityXi'an 710119China Faculty of Computer Science and Control Engineering Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China

Generating novel molecules to satisfy specific properties is a challenging task in modern drug discovery,which requires the optimization of a specific objective based on satisfying chemical ***,we aim to optimize the properties of a specific molecule to satisfy the specific properties of the generated *** matched Molecular Pairs(MMPs),which contain the source and target molecules,are used herein,and logD and solubility are selected as the optimization *** main innovative work lies in the calculation related to a specific transformer from the perspective of a matrix *** intervals and state changes are then used to encode logD and solubility for subsequent *** the experiments,we screen the data based on the proportion of heavy atoms to all atoms in the groups and select 12365,1503,and 1570 MMPs as the training,validation,and test sets,*** models are compared with the baseline models with respect to their abilities to generate molecules with specific *** show that the transformer model can accurately optimize the source molecules to satisfy specific properties.

关键词： molecular optimization transformer matched Molecular Pairs(MMPs) logD solubility

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Intraseasonal variability of the Kuroshio observed via mooring at 18°N

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Journal of Oceanology and Limnology 2024年第2期42卷 468-483页

作者： xin YUAN Qingye WANG Jie ma Shijian HU Dunxin HU Key Laboratory of Ocean Circulation and Waves Institute of OceanologyChinese Academy of SciencesQingdao 266071China University of Chinese Academy of Sciences Beijing 100049China Laoshan Laboratory Qingdao 266237China Center for Ocean Mega-Science Chinese Academy of SciencesQingdao 266071China

Insufficient observations near the origin of the Kuroshio have led to incomplete understanding of the intraseasonal variability(ISV)of the *** measurements of the Kuroshio velocity were performed with an array of three profiler moorings(122.7°E,123°E,and 123.3°E)along 18°N from January 2018 to February *** ISV of the Kuroshio at 18°N was investigated based on a combination of mooring observations and global high-resolution HYbrid Coordinate Ocean Model reanalysis *** estimated time-averaged transport in the upper 350 m across the observation transect was 6.5±2.6 Sv(1.0 Sv=10^(6)m^(3)/s).Two significant ISV peaks at 50-60 and~100 d were recognized in the power spectra of the meridional velocity and *** analysis indicated that the ISV at 50-60 d was caused by westward-propagating eddies at average propagation speed of~13 cm/s and wavelength of~635 *** ISV peak at~100 d was mainly caused by northward-propagating eddies generated in the North Equatorial Current *** investigation indicated that the ISV of the Kuroshio at 18°N is dominated by meridional transport,rather than by the zonal migration of the Kuroshio main *** findings provide a better understanding of the ISV of the Kuroshio east of Luzon Island.

关键词： intraseasonal variability(ISV) Kuroshio mooring observation eddy

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Integrated Frequency-constrained Scheduling Considering Coordination of Frequency Regulation Capabilities from Multi-source Converters

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Journal of Modern Power Systems and Clean Energy 2024年第1期12卷 261-274页

作者： Jiaming Li ying Qiao Zongxiang Lu Wei ma xin Cao Rongfu Sun the Department of Electrical Engineering Tsinghua UniversityBeijing 100084China the China Suntien Green Energy Limited Company Shijiazhuang 050011China the State Grid Jibei Electric Power Company Beijing 100054China

As the proportion of renewable energy(RE)increases,the inertia and the primary frequency regulation(FR)capability of the power system ***,ensuring frequency security in the scheduling model has become a new technical requirement in power systems with a high share of *** to a shortage of conventional synchronous generators,the frequency support of multi-source converters has become an indispensable part of the system frequency resources,especially variable-speed wind turbine generation(WTG)and battery energy storage(BES).Quantitative expression of the FR capability of multi-source converters is necessary to construct frequency-constrained scheduling ***,the frequency support performance of these converter-interfaced devices is related to their working states,operation modes,and parameters,and the complex coupling of these factors has not been fully exploited in existing *** this study,we propose an integrated frequency-constrained scheduling model considering the coordination of FR capabilities from multi-source *** FR control strategies and variable FR parameters for WTG with or without reserved power are modeled,and multi-target allocation of BES capacity between tracking dispatch instruction and emergency FR is ***,the variable FR capabilities of WTG and BES are embedded into the integrated frequency-constrained scheduling *** nonlinear constraints for frequency security are precisely linearized through an improved iteration-based *** effectiveness of the proposed model is verified in a modified IEEE 24-bus standard *** results suggest that the coordinated participation of BES and WTG in FR can effectively reduce the cost of the scheduling model while meeting frequency security constraints.

关键词： Battery energy storage(BES) wind turbine generation(WTG) frequency regulation(FR) frequency security power system scheduling

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More Than Lightening:A Self-Supervised Low-Light Image Enhancement Method Capable for Multiple Degradations

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IEEE/CAA Journal of Automatica Sinica 2024年第3期11卷 622-637页

作者： Han Xu Jiayi ma yixuan Yuan Hao Zhang xin Tian Xiaojie Guo the Electronic Information School Wuhan UniversityWuhan 430072China IEEE the Department of Electronic Engineering Chinese University of Hong KongHong Kong 999077China the College of Intelligence and Computing Tianjin UniversityTianjin 300350China

Low-light images suffer from low quality due to poor lighting conditions,noise pollution,and improper settings of *** enhance low-light images,most existing methods rely on normal-light images for guidance but the collection of suitable normal-light images is *** contrast,a self-supervised method breaks free from the reliance on normal-light data,resulting in more convenience and better *** self-supervised methods primarily focus on illumination adjustment and design pixel-based adjustment methods,resulting in remnants of other degradations,uneven brightness and *** response,this paper proposes a self-supervised enhancement method,termed as *** can handle multiple degradations including illumination attenuation,noise pollution,and color shift,all in a self-supervised *** attenuation is estimated based on physical principles and local neighborhood *** removal and correction of noise and color shift removal are solely realized with noisy images and images with color ***,the comprehensive and fully self-supervised approach can achieve better adaptability and *** is applicable to various low light conditions,and can reproduce the original color of scenes in natural *** experiments conducted on four public datasets demonstrate the superiority of SLIE to thirteen state-of-the-art *** code is available at https://***/hanna-xu/SLIE.

关键词： Color correction low-light image enhancement self-supervised learning.

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Influence of in situ formed spinel in bonding phase on mechanical properties and air permeability of magnesia-chrome porous purging materials

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Journal of Iron and Steel Research International 2024年第6期31卷 1459-1472页

作者： yi An Hao Liu Zhou-fu Wang Yan ma Xi-tang Wang The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina

magnesia-chrome porous purging plugs are crucial functional components to remove inclusions and stabilize the flow field during iron and steel ***,practical applications of magnesia-chrome porous purging materials are stil hampered by the poor scouring resistance to molten steel and unstable air permeability owing to their low mechanical properties and uncontrollable pore ***,the particle-packing type magnesiachrome porous purging materials reinforced by in situ formed spinel were prepared using fused magnesia-chrome particles and Al powders as major raw *** results show that in situ formed spinel solid solutions in bonding phase led to the decreased median pore size and increased pore surface fractal dimension from the reactions between Al powders and magnesia-chrome particles and along with high-temperature sintering,bonding between magnesia-chrome particles and the resultant mechanical properties of materials were greatly ***,the results of air permeability tests and polynomial ftting indicated that the formation of spinel solid solutions was the main contributing factor for controllable air permeability,and pressure drop of porous purging materials was positively correlated with surface fractal dimension of ***,the as-prepared porous purging materials added with 6 wt.%Al powders obtained the maximum cold crushing strength(54.2 MPa)and hot modulus of rupture(12.9 MPa)with median pore size of 24.06μm and ftting non-Darcian permeability coefficient of 0.97×10^(-6)m.

关键词： magnesia Chrome porous purging material Metallic Al-Spinel Mechanical strength Air permeability

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Facile and effective synthesis strategy for terbium-doped hydroxyapatite toward photoelectric devices and flexible functional fibers

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Rare Metals 2024年第4期43卷 1713-1723页

作者： Xiao-Dong Zhang Kun Nie Zi-Yao Hu Ran-Ran Zhou Xiu-Qiang Duan Wu-Bin Dai Song-Song Nie Song-Jun Yao Luo-xin Wang Le-Fu Mei Hua Wang yi-yi Yao Xiao-Xue ma Hubei Key Laboratory for New Textile materials and Applications and State Key Laboratory of New Textile materials and Advanced Processing Technology School of Materials Science and EngineeringWuhan Textile UniversityWuhan430200China Key Laboratory of Testing and Tracing of Rare Earth Products for State market Regulation Jiangxi University of Science and TechnologyGanzhou341000China Hubei Key Laboratory of Plasma Chemistry and Advanced materials and Key Laboratory of Green Chemical Engineering Process of Ministry of Education Wuhan Institute of TechnologyWuhan430205China

As a material with good biocompatibility,hydroxyapatite(HAP)can have optical properties after doping with various rare earth *** a biocompatible fluorescent material,doped HAP could have broad applications in biological probes,drug delivery,optoelectronic materials,fluorescence anti-counterfeiting,and other *** this paper,we put forward the preparation of HAP doped with terbium(Ⅲ)ions(Tb^(3+))by hydrothermal *** controlling the Tb^(3+)doping content in reaction and the reaction time,the changes in HAP's structure,morphology,and luminescence properties under different conditions were *** the doping amount of Tb^(3+)reached an optimal value,the dipole-quadrupole would occur and the concentration would be *** control experiment showed that the optimal Tb3+content was 7.5×10^(-5)mol,which showed the best fluorescence ***,a non-luminous material,was rarely used in the field of fluorescent anti-counterfeiting and photoelectric *** proposed to prepare a luminescent aramid/polyphenylene sulfide(ACFs/PPS)fiber paper and a new light-emitting diode(LED)using the Tb-doped HAP *** composite sample exhibited an excellent stability and fluorescence performance,which also demonstrated a possibility of HAP applications in anticounterfeiting and *** introduction of Tb3+dopant HAP was done to give HAP optical properties and broaden the application range of HAP.

关键词： Hydroxyapatite Rare earth luminescence Photoelectric device Aramid Polyphenylene sulfide fiber paper Luminescent fiber

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On the Performances of Estimating Stellar Atmospheric Parameters from CSST Broad-band Photometry

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Research in Astronomy and Astrophysics 2024年第4期24卷 161-173页

作者： Rui-Feng Shi Yang Huang xin-yi Li Hua-Wei Zhang School of Astronomy and Space Science University of Chinese Academy of SciencesBeijing 100049China South-Western Institute for Astronomy Research Yunnan UniversityKunming 650500China CAS Key Lab of Optical Astronomy Key Laboratory of Space Astronomy and TechnologyNational Astronomical ObservatoriesChinese Academy of SciencesBeijing 100101China College of Physics and Electronic Engineering Qilu Normal UniversityJinan 250200China Department of Astronomy School of PhysicsPeking UniversityBeijing 100871China Kavli Institute for Astronomy and Astrophysics Peking UniversityBeijing 100871China

Deriving atmospheric parameters of a large sample of stars is of vital importance to understand the formation and evolution of the Milky *** surveys,especially those with near-ultraviolet filters,can offer accurate measurements of stellar parameters,with the precision comparable to that from low/medium resolution *** this study,we explore the capability of measuring stellar atmospheric parameters from Chinese Space Station Telescope(CSST)broad-band photometry(particularly in the near-ultraviolet bands),based on synthetic colors derived from model *** find that colors from the optical and near-ultraviolet filter systems adopted by CSST show significant sensitivities to the stellar atmospheric parameters,especially the *** to our mock data tests,the precision of the photometric metallicity is quite high,with typical values of0.17 and 0.20 dex for dwarf and giant stars,*** precision of the effective temperature estimated from broad-band colors are within 50 K.

关键词： methods:data analysis stars:abundances surveys

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Superconducting,Topological,and Transport Properties of Kagome Metals CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)

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Research 2024年第2期2023卷 753-762页

作者： xin-Wei yi Zheng-Wei Liao Jing-Yang You Bo Gu Gang Su School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Department of Physics Faculty of ScienceNational University of Singapore117551Singapore Kavli Institute for Theoretical Sciences and CAS Center for Excellence in Topological Quantum ComputationUniversity of Chinese Academy of SciencesBeijing 100190China

The recently discovered ATi_(3)Bi_(5)(A=Cs,Rb)exhibit intriguing quantum phenomena including superconductivity,electronic nematicity,and abundant topological ***_(3)Bi_(5)present promising platforms for studying kagome superconductivity,band topology,and charge orders in parallel with *** this work,we comprehensively analyze various properties of ATi_(3)Bi_(5)covering superconductivity under pressure and doping,band topology under pressure,thermal conductivity,heat capacity,electrical resistance,and spin Hall conductivity(SHC)using first-principles *** superconducting transition temperature(Tc)of CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)at ambient pressure are about 1.85 and 1.92 *** subject to pressure,Tc of CsTi_(3)Bi_(5)exhibits a special valley and dome shape,which arises from quasi-two-dimensional compression to three-dimensional isotropic compression within the context of an overall decreasing ***,Tc of RbTi_(3)Bi_(5)can be effectively enhanced up to 3.09 K by tuning the kagome van Hove singularities(VHSs)and flat band through *** can also induce abundant topological surface states at the Fermi energy(EF)and tune VHSs across ***,our transport calculations are in excellent agreement with recent experiments,confirming the absence of charge density ***,SHC of CsTi_(3)Bi_(5)can reach up to 226h·(e·Ω·cm)^(-1)at *** work provides a timely and detailed analysis of the rich physical properties for ATi_(3)Bi_(5),offering valuable insights for further experimental verifications and investigations in this field.

关键词： doping superconductivity conductivity

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