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Late-stage modification of bioactive compounds:Improving druggability through efficient molecular editing

Acta Pharmaceutica Sinica B 2024年第3期14卷 1030-1076页

作者： Tongyu huo Xinyi Zhao Zengrui Cheng Jialiang Wei Minghui Zhu Xiaodong Dou Ning Jiao State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China Changping Laboratory Beijing 102206China Shanghai Key Laboratory of Green Chemistry and Chemical Processes East China Normal UniversityShanghai 200062China

Synthetic chemistry plays an indispensable role in drug discovery,contributing to hit compounds identification,lead compounds optimization,candidate drugs preparation,and so *** Nobel Prize laureate James Black emphasized,“the most fruitful basis for the discovery of a new drug is to start with an old drug”***-stage modification or functionalization of drugs,natural products and bioactive compounds have garnered significant interest due to its ability to introduce diverse elements into bioactive compounds *** modifications alter the chemical space and physiochemical properties of these compounds,ultimately influencing their potency and *** enrich a toolbox of chemical modification methods for drug discovery,this review focuses on the incorporation of halogen,oxygen,and nitrogen—the ubiquitous elements in pharmacophore components of the marketed drugs—through late-stage modification in recent two decades,and discusses the state and challenges faced in these *** also emphasize that increasing cooperation between chemists and pharmacists may be conducive to the rapid discovery of new activities of the functionalized ***,we hope this review would serve as a valuable resource,facilitating the application of late-stage modification in the construction of novel molecules and inspiring innovative concepts for designing and building new drugs.

关键词： Late-stage modification Drug space Halogenation Oxygenation Nitrogenation Synthetic chemistry

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Mitigation of Optical Multipath Interference Algorithms in IM-DD Transmission System

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China Communications 2024年第4期21卷 1-9页

作者： huo Jiahao Zhu Jin Zhu Zuqing Zhang Xiaoying Liu Shaonan Tao Jianlong Wei Huangfu School of Computer and Communication Engineering University of Science and Technology BeijingBeijing 100083China School of Information Science and Technology University of Science and Technology of ChinaHefei 230026China

This paper aimed to propose two algorithms,DA-M and RF-M,of reducing the impact of multipath interference(MPI)on intensity modulation direct detection(IM-DD)systems,particularly for four-level pulse amplitude modulation(PAM4)***-M reduced the fluctuation by averaging the signal in blocks,RF-M estimated MPI by subtracting the decision value of the corresponding block from the mean value of a signal block,and then generated interference-reduced samples by subtracting the interference signal from the product of the corresponding MPI estimate and then weighting *** paper firstly proposed to separate the signal before decision-making into multiple blocks,which significantly reduced the complexity of DA-M and *** results showed that the MPI noise of 28 GBaud IMDD system under the linewidths of 1e5 Hz,1e6 Hz and 10e6 Hz can be effectively alleviated.

关键词： IM-DD multipath interference PAM4

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Construction of Naphthalenediimide Lanthanide(Ⅲ)-MOFs and Composites Incorporated Electron-Rich Pyrene Derivative as Multifunctional Fluorescence Sensing for Nitro Aromatic Compounds and Aldehydes

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Chinese Journal of Chemistry 2024年第3期42卷 283-293页

作者： Rong huo Ting Zhang Guang Zeng Chen Wang Yong Heng Xing Feng Ying Bai College of Chemistry and Chemical Engineering Liaoning Normal UniversityDalianLiaoning116029 China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianLiaoning116023 China

The development of host-guest MOF luminescent composites has attracted considerable attention. However,it is still a challenge to reasonably design large scale conjugated polycarboxylic acids metal-organic framework (MOF) and modulate donor-acceptor interaction. Herein,a series of isostructural 3D porous lanthanide MOF [Ln_(2)(BINDI)0.5(NO_(3))(DMA)(H_(2)O)]∙DMA∙2.5H_(2)O (Ln = La (1),Ce (2),Pr (3) and Nd (4);H_(4)BINDI (N,N’-bis(5-isophthalic acid)-1,4,5,8-naphthalenediimide) were synthesized. Considering the electron-deficient performances of Ln-BINDI MOFs,D-A type composites Ln-MOFs (1—4@H_(4)TBAPy) were prepared via the incorporation of electron-rich H_(4)TBAPy (1,3,6,8-tetrakis(p-benzoic acid) pyrene),which more improved the luminescence performance of complexes 1—4 and can be used as fluorescence sensors for the detection of nitro compounds and aldehydes. High sensitivity of 1@H_(4)TBAPy towards pNBA,pNA PNP,DNP,and TNP could be achieved through hydrogen bond interactions between MOF and analytes,as well as the π-π interaction between H_(4)TBAPy and the naphthalene ring of BINDI,thus the fluorescence quenching efficiency of 1@H_(4)TBAPy was better than that of the complex 1. In addition,it is found that 1@H_(4)TBAPy has high selectivity and sensitivity to aromatic aldehyde SA,5-Mesal and HMBA. Such strategy to enhance the emission of NDI based Ln-BINDI MOFs,will open up an avenue to obtain more fluorescent MOFs for sensing.

关键词： Ln-MOF Pyrene molecule NACs Aldehydes Fluorescence sensing Carboxylate ligands Charge transfer Donor-acceptor systems

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An Asymmetric Galactic Stellar Disk Traced by OB-type Stars from LAMOST DR7

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Research in Astronomy and Astrophysics 2024年第6期24卷 38-51页

作者： Xiaopeng Liu Hao Tian Wenyuan Cui Linlin Li Jiaming Liu Zhenyan huo Yawei Gao Department of Physics Hebei Normal UniversityShijiazhuang 050024China Guo Shoujing Institute for Astronomy Hebei Normal UniversityShijiazhuang 050024China Key Laboratory of Space Astronomy and Technology National Astronomical ObservatoriesChinese Academy of SciencesBeijing 100101China Institute for Frontiers in Astronomy and Astrophysics Beijing Normal UniversityBeijing 102206China

Using 9943 OB-type stars from LAMOST DR7 in the solar neighborhood,we fit the vertical stellar density profile with the model including a single exponential distribution at different positions(R,Φ).The distributions of the scale heights and scale length show that the young disk traced by the OB-type stars is not *** scale length decreases versus the azimuthal angleΦ,i.e.,from.■kpc withΦ=-3°to■kpc withΦ=9°.Meanwhile we find signal of non-symmetry in the distribution of the scale height of the north and south of the disk *** scale height in the north side shows signal of flaring of the disk,while that of the south disk stays almost constant around h_(s)=130 *** distribution of the displaceeent of the disk plane Z_(0)also shows variance versus the azimuthal angleΦ,which displays significant differences with the warp model constrained by the Cepheid *** also test different values for the position of the Sun,and the distance between the Sun and the Galactic center affects the scale heights and the displacement of the disk significantly,but that does not change our conclusion that the disk is not axisymmetric.

关键词： Galaxy:disk galaxies:spiral stars:early-type stars:massive

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HSA shrinkage optimizes the photostability of embedded dyes fundamentally to amplify their efficiency as photothermal materials

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Chinese Chemical Letters 2024年第8期35卷 211-216页

作者： Yongkang Yue Zhou Xu Kaiqing Ma Fangjun huo Xuemei Qin Kuanshou Zhang Caixia Yin Department Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education Institute of Molecular ScienceShanxi UniversityTaiyuan 030006China Department Modern Research Center for Traditional Chinese Medicine Shanxi UniversityTaiyuan 030006China Research Institute of Applied Chemistry Shanxi UniversityTaiyuan 030006China State Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Opto-ElectronicsShanxi UniversityTaiyuan 030006China

Focused on the performance promotion of organic small molecular dyes based photothermal agents via non-chemical modification,we found that heat-assisted binding of human serum albumin(HSA)to the dye causes shrinkage of the protein and encapsulate the dye to form *** revolutionizes the photostability of small molecule dyes which further improves their photothermal conversion effi-ciency and tumor ablation performance as photothermal agents *** this work,the obtained photothermal agent named HSA-P2-T could accumulate in tumor and induce 22℃enhancement of the tumor in xenograft models upon ultra-low dose(0.1 W/cm^(2))laser irradiation,which,as far as we know,is the lowest laser dose used in vivo photothermal *** HSA-P2-T,we realized tumor ablation upon twice intravenous injections of the nanoparticles and four photothermal treatments.

关键词： Photothermal therapy Cyanine dyes Photostability Albumin Encapsulation

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Copper-catalyzed C(sp)-H aryl amination enables modular synthesis of quinolines and 2-quinolinones

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Science China Chemistry 2024年第2期67卷 595-603页

作者： Yang Gao Haixia Li Simin Yang Yanping huo Qian Chen Xianwei Li Zhe Wang Xiao-Qiang Hu School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou510006China Jieyang Branch of Chemistry and Chemical Engineering Guangdong Laboratory Jieyang515200China Key Laboratory of Catalysis and Energy Materials Chemistry of Ministry of Education&Hubei Key Laboratory of Catalysis and Materials Science School of Chemistry and Materials ScienceSouth-Central University for NationalitiesWuhan430074China

Herein,we disclose a novel copper-catalyzed C(sp)-H aryl amination of terminal alkynes with anthranils,enabling the rapid generation of highly reactive secondary N-aryl ynamines for the modular synthesis of structurally diverse C2-substituted quinolines and *** in-situ formed carbonyl-ynamines are prone to tautomerize to carbonyl-ketenimines,which can efficiently react with a series of nucleophiles,including amines,alcohols,phenols,thiols,thiophenols,active-methylene compounds,and even water to produce various quinoline derivatives with the generation of H_(2)O as a sole and green *** method also unlocks a practical route to create various quinoline-fused heterocycles and can be successfully applied to the late-stage modification of complex molecules and the concise synthesis of bioactive *** studies reveal a coppercatalyzed inner-sphere nitrene transfer process by using anthranils as novel aryl nitrene precursors.

关键词： copper catalysis anthranils C(sp)-H aryl amination carbonyl-ketenimines quinolines

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Recent advances and practical challenges of high-energy-density flexible lithium-ion batteries

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Frontiers of Chemical Science and Engineering 2024年第8期18卷 79-98页

作者： Guangxiang Zhang Xin Chen Yulin Ma Hua huo Pengjian Zuo Geping Yin Yunzhi Gao Chuankai Fu State Key Laboratory of Space Power-Sources Harbin Institute of TechnologyHarbin 150001China MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001China

With the rapid iteration and update of wearable flexible devices,high-energy-density flexible lithium-ion batteries are rapidly ***,energy density,and safety are all important indicators for flexible lithium-ion batteries,which can be determined jointly by material selection and structural ***,recent progress on high-energy-density electrode materials and flexible structure designs are *** electrode materials and the next-generation high-energy-density electrode materials are analyzed in *** electrolytes with high safety and excellent flexibility are classified and *** strategies to increase the mass loading of active materials on the electrodes by designing the current collector and electrode structure are discussed with keys of representative *** the novel configuration structures to enhance the flexibility of batteries are *** the end,it is pointed out that it is necessary to quantify the comprehensive performance of flexible lithium-ion batteries and simultaneously enhance the energy density,flexibility,and safety of batteries for the development of the next-generation high-energy-density flexible lithium-ion batteries.

关键词： lithium-ion batteries flexibility high energy density safety

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Apatite Fission Track Thermochronology of Granite from the Xiazhuang Uranium Ore Field,South China:Implications for Exhumation History and Ore Preservation

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Acta Geologica Sinica(English Edition) 2024年第2期98卷 430-440页

作者： SUN Yue CHEN Zhengle PAN Jiayong huo Hailong LI Haidong SUN Junjie XU Guangchun State Key Laboratory of Nuclear Resources and Environment School of Earth SciencesEast China University of TechnologyNanchang 330013China Institute of Geomechanics Chinese Academy of Geological SciencesBeijing 100081China No.290 Research Institute CNNCShaoguanGuangdong 512029China

Xiazhuang uranium ore field,located in the southern part of the Nanling Metallogenic Belt,is considered one of the largest granite-related U regions in South *** this paper,we contribute new apatite fission track data and thermal history modeling to constrain the exhumation history and evaluate preservation potential of the Xiazhuang Uranium ore *** Triassic outcrop granite samples collected from different locations of Xiazhuang Uranium ore field yield AFT ages ranging from 43 to 24 Ma with similar mean confined fission track lengths ranging from 11.8±2.0 to 12.9±1.9μm and Dpar values between 1.01 and 1.51μ*** robustness time-temperature reconstructions of samples from the hanging wall of Huangpi fault show that the Xiazhuang Uranium ore field experienced a time of monotonous and slow cooling starting from middle Paleocene to middle Miocene(~60-10 Ma),followed by relatively rapid exhumation in the late Miocene(~10-5 Ma)and nearly thermal stability in the Pliocene-Quaternary(~5-0 Ma).The amount of exhumation after U mineralization since the Middle Paleogene was estimated as~4.3±1.8 km according to the integrated thermal history *** studies indicate that the ore-forming ages of U deposits in the Xiazhuang ore field are mainly before Middle Paleocene and the mineralization depths are more than 4.4±1.2 ***,the exhumation history since middle Paleocene plays important roles in the preservation of the Xiazhuang Uranium ore field.

关键词： apatite fission track exhumation history ore preservation Xiazhuang Uranium ore field South China

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Chiral electron transporting material for circularly polarized organic light-emitting diode

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Science China Chemistry 2024年第11期67卷 3777-3784页

作者： Peihao huo Tianyu Yang Peiyu Fang Yujia Li Nanlong Zheng Min Gong Zuqiang Bian Zhiwei Liu Beijing National Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular Engineering Peking University

Circularly polarized organic light-emitting diode(CP-OLED) has attracted increasing interest for its efficient ability to generate circularly polarized light directly. So far, many CP-OLEDs were successfully fabricated with chiral emitters or chiral hosts. In this study, a new strategy based on chiral electron transporting layer is proposed to construct CP-OLEDs. A pair of chiral electron transporting materials, 1,3,5-tris((R/S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene((R/S)-TOxiPr), are firstly designed and synthesized. The crystalline films of(R/S)-TOxiPr show circularly polarized photoluminescence with photoluminescence dissymmetry factors of-0.067 and +0.041, respectively. The CP-OLEDs based on(R/S)-TOxiPr and three types of achiral emitters all exhibit circularly polarized electroluminescence, showing feasibility and strong versatility of this new strategy. The mechanism is attributed to in-situ electrical excitation instead of simply light filtering of non-circularly polarized light. This work demonstrates a new approach for realizing circularly polarized electroluminescence which may provide a valuable strategy to develop CP-OLEDs.

关键词： circularly polarized organic light-emitting diodes chiral electron transporting layer trisoxazolinylbenzene circularly polarized electroluminescence

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Phase transition of multi-component(TiZrVNb)C ceramics—Part I:Phase decomposition induced by carbon content

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Journal of Advanced Ceramics 2024年第5期13卷 679-688页

作者： Qingyi Kong Rao Zhang Lei Chen Sijia huo Wenyu Lu Yujin Wang Boxin Wei Yu Zhou Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150080China Key Laboratory of Advanced Structure‒Function Integrated Materials and Green Manufacturing Technology Harbin Institute of TechnologyHarbin 150001China School of Materials Science and Chemical Engineering Harbin University of Science and TechnologyHarbin 150001China National Key Laboratory of Precision Hot Processing of Metals Harbin Institute of TechnologyHarbin 150001China

Phase decomposition can effectively enhance the mechanical properties of carbide ceramics and can overcome the difficulty of enhancing the mechanical properties of single-phase multicomponent carbide *** this work,a series of nonstoichiometric(TiZrVNb)Cx ceramics were prepared by spark plasma sintering(SPS)at different *** effects of the carbon content on the phase composition,microstructure evolution,and mechanical properties were investigated in *** decomposition occurred with decreasing carbon *** different solid solutions of(Ti,V)-rich and Zr-rich phases formed from the decomposition of equimolar single-phase solid solutions,namely,the Zr-poor phase and Zr-rich phase,*** distribution of Nb element is relatively *** semicoherent interfaces between the Zr-poor phase and the Zr-rich phase can harden and strengthen effectively under the synergistic effect of grain *** with phase decomposition structures have apparent advantages compared to single-phase high-entropy *** work provides an important train of thought for the microstructure tailoring and properties optimization of multi-component carbide ceramics.

关键词： multicomponent ceramics nontoichiometry microstructure evolution phase decomposition mechanical properties

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