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Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods

Chinese Chemical Letters 2024年第2期35卷 352-357页

作者： Yingli Zhu jie Qian Kunqian Yu Jing Hou Yeshuo Ma Fei chen jie Dong Wenbin Zeng Xiangya School of pharmaceutical sciences Central South UniversityChangsha 410083China National Engineering Research Center of Rice and Byproduct Deep Processing School of Food Science and EngineeringCentral South University of Forestry and TechnologyChangsha 410004China state key laboratory of Drug Research Drug Discovery and Design CenterShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Department of Geriatrics Third Xiangya HospitalCentral South UniversityChangsha 410013China

Multifunctional molecules with both optical signal and pharmacological activity play an important role in drug development,disease diagnosis,and basic theoretical *** N(APN),as a representative tumor biomarker with anti-tumor potential,still lacks a high-precision theranostic probe specifically targeting *** this study,a novel quaternity design strategy for APN theranostic probe was *** proposed strategy utilizes advanced machine learning and molecular dynamics simulations,and cleverly employs the strategy of conformation-induced fluorescence recovery to achieve multi-objective optimization and integration of functional *** this strategy,a unique“Off-On”theranostic probe,ABTP-DPTB,was ingeniously constructed to light up APN through fluorescence restoration,relying on conformation-induced effects and solvent *** from the common diagnostic probes,the intelligent design with non-substrated linkage makes ABTP-DPTB for long-term in-situ *** fabricated probe was used for detecting and inhibiting APN in various environments,with a better in vitro inhibitory than golden-standard drug bestatin.

关键词： Theranostic probe Artificial intelligence Conformational restriction Fluorescence restoration Design strategy

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Road effects on bird's response to human approach on Qinghai-Tibet Plateau

Road effects on bird's response to human approach on Qinghai...

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第七届全国野生动物生态与资源保护学术研讨会

作者： chen Ge,Zhongqiu Li~*,Jing Li,cheng Huang (The state key laboratory of pharmaceutical biotechnology,School of life science,nanjing university,22 Hankou Road,nanjing 210093,china.)

We used alert distance(AD) and flight initiation distance(FID) to evaluate the effects of Qinghai-Tibet Railway and Highway on snowfinch’s response to human approach in July 2009 and 2010. Road effect was divided int... 详细信息

关键词： alert distance flight initiation distance road effect Qinghai-Tibet Railway snowfinch tolerance

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Computer-aided molecular design and optimization of potent inhibitors disrupting APC-Asef interaction

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2631-2645页

作者： Xuefei Wang Zeqian Du Yuegui Guo jie Zhong Kun Song Junyuan Wang Jianqiang Yu Xiuyan yang chen-Ying Liu Ting Shi Jian Zhang Department of Pathophysiology Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of EducationShanghai Jiao Tong UniversitySchool of MedicineShanghai 200025China key laboratory of Protection Development and Utilization of Medicinal Resources in Liupanshan AreaMinistry of EducationPeptide&Protein Drug Research CenterSchool of PharmacyNingxia Medical UniversityYinchuan 750004China state key laboratory of Microbial Metabolism Joint International Research Laboratory of Metabolic and Developmental SciencesSchool of Life Sciences and BiotechnologyShanghai Jiao Tong UniversityShanghai 200240China Department of Colorectal and Anal Surgery Xinhua HospitalShanghai Jiao Tong University School of MedicineShanghai 200025China Basic science Research Center Base(pharmaceutical science) Yantai UniversityYantai 264005China Medicinal Chemistry and Bioinformatics Center Shanghai Jiao Tong UniversitySchool of MedicineShanghai 200025China state key laboratory of pharmaceutical biotechnology Nanjing UniversityNanjing 210023China

Colorectal cancer(CRC)is the second leading cause of cancer mortality *** initial diagnosis,approximately 20%of patients are diagnosed with metastatic CRC(mCRC).Although the APC-Asef interaction is a well-established target for mCRC therapy,the discovery and development of effective and safe drugs for mCRC patients remains an urgent and challenging *** this study,we identified a novel structural scaffold based on MAI inhibitors,the first-in-class APC-Asef inhibitors we reported *** model-driven optimizations of the N-terminal cap and experimental evaluations of inhibitory activity were performed,and 24-fold greater potency was obtained with the best inhibitor compared to the parental *** addition,the cocrystal structure validated that the two-layerπ-πstacking interactions were essential for inhibitor stabilization in the bound ***,in vitro and in vivo studies have demonstrated that novel inhibitors suppressed lung metastasis in CRC by disrupting the APC-Asef *** results provide an intrinsic structural basis to further explore drug-like molecules for APC-Asef-mediated CRC therapy.

关键词： APC-Asef Peptidomimetic Computer-aided molecular design ONIOM model π-πstacking Metastatic colorectal cancer

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Effectiveness and safety of early lens extraction during par plana vitrectomy for proliferative diabetes retinopathy with mild cataract:a randomized clinical trial

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International Journal of Ophthalmology(English edition) 2024年第3期17卷 528-536页

作者： Wei-Bo Feng Lei Zheng Ying-Qi Li Yong-Hao Li Guo-Ming Zhang Xian Wang Bing-Qian Liu Ling Jin Yi-Nuo Huang yang-Fan yang Zi-Dong chen Da-Hui Ma Qing-Shan chen Chao-Jun Qin Bing-Min Feng Zhu-Min yang Xing Huang cheng-jie yang Sheng-Hui Liu Ming-Xing Wu state key laboratory of Ophthalmology Guangdong Provincial Key Laboratory of Ophthalmology and Visual ScienceGuangdong Provincial Clinical Research Center for Ocular DiseasesZhongshan Ophthalmic CenterSun Yat-sen UniversityGuangzhou 510275Guangdong ProvinceChina Shenzhen Eye Hospital Affiliated to Jinan university Shenzhen 518040Guangdong ProvinceChina The Affiliated Hospital of Guizhou Medical university Guiyang 550004Guizhou ProvinceChina Guangzhou Aier Eye Hospital Guangzhou 510000Guangdong ProvinceChina

●AIM:To evaluate the effectiveness and safety of early lens extraction during pars plana vitrectomy(PPV)for proliferative diabetic retinopathy(PDR)compared to those of PPV with subsequent cataract surgery.●METHODS:This multicenter randomized controlled trial was conducted in three Chinese hospitals on patients with PDR,aged>45y,with mild *** participants were randomly assigned to the combined(PPV combined with simultaneously cataract surgery,i.e.,phacovitrectomy)or subsequent(PPV with subsequent cataract surgery 6mo later)group and followed up for *** primary outcome was the change in best-corrected visual acuity(BCVA)from baseline to 6mo,and the secondary outcomes included complication rates and medical expenses.●RESULTS:In total,129 patients with PDR were recruited and equally randomized(66 and 63 in the combined and subsequent groups respectively).The change in BCVA in the combined group[mean,36.90 letters;95%confidence interval(CI),30.35–43.45]was significantly better(adjusted difference,16.43;95%CI,8.77–24.08;P22.40 letters;95%CI,15.55–29.24)6mo after the PPV,with no significant difference between the two groups at *** overall surgical risk of two sequential surgeries was significantly higher than that of the combined surgery for neovascular glaucoma(17.65%vs 3.77%,P=0.005).No significant differences were found in the photocoagulation spots,surgical time,and economic expenses between two *** the subsequent group,the duration of work incapacity(22.54±9.11d)was significantly longer(P2.44±6.48d).●CONCLUSION:PDR patients aged over 45y with mild cataract can also benefit from early lens extraction during PPV with gratifying effectiveness,safety and convenience,compared to sequential surgeries.

关键词： lens extraction pars plana vitrectomy proliferative diabetic retinopathy cataract simultaneously operations

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SRY-Box transcription factor 9 triggers YAP nuclear entry via direct interaction in tumors

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Signal Transduction and Targeted Therapy 2024年第5期9卷 2285-2297页

作者： Hui Qian chen-Hong Ding Fang Liu Shi-jie chen chen-Kai Huang Meng-Chao Xiao Xia-Lu Hong Ming-chen Wang Fang-Zhi Yan Kai Ding Ya-Lu Cui Bai-Nan Zheng Jin Ding cheng Luo Xin Zhang Wei-Fen Xie Department of Gastroenterology Changzheng HospitalNaval Medical UniversityShanghaiChina Department of Gastroenterology Shanghai East HospitalSchool of MedicineTongji UniversityShanghaiChina Drug Discovery and Design Center CAS Key Laboratory of Receptor ResearchState Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghaiChina Department of Gastroenterology First Affiliated Hospital of Nanchang UniversityNanchangChina Clinical Cancer Institute Center for Translational MedicineNaval Medical UniversityShanghaiChina

The translocation of YAP from the cytoplasm to the nucleus is critical for its activation and plays a key role in tumor ***,the precise molecular mechanisms governing the nuclear import of YAP are not fully *** this study,we have uncovered a crucial role of SOX9 in the activation of ***9 promotes the nuclear translocation of YAP by direct ***,we have identified that the binding between Asp-125 of SOX9 and Arg-124 of YAP is essential for SOX9-YAP interaction and subsequent nuclear entry of ***,we have discovered a novel asymmetrical dimethylation of YAP at Arg-124(YAP-R124me2a)catalyzed by ***-R124me2a enhances the interaction between YAP and SOX9 and is associated with poor prognosis in multiple ***,we disrupted the interaction between SOX9 and YAP using a competitive peptide,S-A1,which mimics anα-helix of SOX9 containing Asp-125.S-A1 significantly inhibits YAP nuclear translocation and effectively suppresses tumor *** study provides the first evidence of SOX9 as a pivotal regulator driving YAP nuclear translocation and presents a potential therapeutic strategy for YAP-driven human cancers by targeting SOX9-YAP interaction.

关键词： interaction interaction precise

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SARS-CoV-2 immunity in animal models

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Cellular & Molecular Immunology 2024年第2期21卷 119-133页

作者： Zhao chen Yaochang Yuan Qingtao Hu Airu Zhu Fenghua chen Shu Li Xin Guan Chao Lv Tian Tang Yiyun He Jinling cheng jie Zheng Xiaoyu Hu Jingxian Zhao Jincun Zhao Jing Sun state key laboratory of Respiratory Disease National Clinical Research Centre for Respiratory DiseaseNational Centre for Respiratory MedicineGuangzhou Institute of Respiratory Healththe First Affiliated Hospital of Guangzhou Medical UniversityGuangzhouGuangdong 510182China GMU-GIBH Joint School of life sciences Guangzhou Medical UniversityGuangzhou 510000China Guangzhou National laboratory GuangzhouGuangdong 510005China Shanghai Institute for Advanced Immunochemical Studies School of Life Science and TechnologyShanghaiTech UniversityShanghai 201210China Institute for Hepatology National Clinical Research Center for Infectious DiseaseShenzhen Third People’s Hospitalthe Second Affiliated HospitalSchool of MedicineSouthern University of Science and TechnologyShenzhen 518005China

The COVID-19 pandemic,which was caused by severe acute respiratory syndrome coronavirus 2(SARS-CoV-2),has become a worldwide health crisis due to its ***-CoV-2 infection results in severe respiratory illness and can lead to significant complications in affected *** complications encompass symptoms such as coughing,respiratory distress,fever,infectious shock,acute respiratory distress syndrome(ARDS),and even multiple-organ *** models serve as crucial tools for investigating pathogenic mechanisms,immune responses,immune escape mechanisms,antiviral drug development,and vaccines against ***,various animal models for SARS-CoV-2 infection,such as nonhuman primates(NHPs),ferrets,hamsters,and many different mouse models,have been *** model possesses distinctive features and *** this review,we elucidate the immune response elicited by SARS-CoV-2 infection in patients and provide an overview of the characteristics of various animal models mainly used for SARS-CoV-2 infection,as well as the corresponding immune responses and applications of these models.A comparative analysis of transcriptomic alterations in the lungs from different animal models revealed that the K18-hACE2 and mouse-adapted virus mouse models exhibited the highest similarity with the deceased COVID-19 ***,we highlighted the current gaps in related research between animal model studies and clinical investigations,underscoring lingering scientific questions that demand further clarification.

关键词： COVID-19 SARS-CoV-2 animal models immune response

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Strong nonlinear optical processes with extraordinary polarization anisotropy in inversionsymmetry broken two-dimensional PdPSe

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Light(science & Applications) 2024年第8期13卷 1524-1533页

作者： Song Zhu Ruihuan Duan Xiaodong Xu Fangyuan Sun Wenduo chen Fakun Wang Siyuan Li Ming Ye Xin Zhou Jinluo cheng Yao Wu Houkun Liang Junichiro Kono Xingji Li Zheng Liu Qi jie Wang School of Electrical and Electronic Engineering Nanyang Technological University639798 SingaporeSingapore School of Material science and Engineering Nanyang Technological University639798 SingaporeSingapore CINTRA CNRS/NTU/THALES UMI 3288Research Techno PlazaNanyang Technological University637371 SingaporeSingapore School of Materials science and Engineering Harbin Institute of Technology150001 HarbinChina Department of Chemistry National University of Singapore117543 SingaporeSingapore GPL Photonics Lab State Key Laboratory of Applied OpticsChangchun Institute of OpticsFine Mechanics and PhysicsChinese Academy of Sciences130033 ChangchunChina School of Electronics and Information Engineering Sichuan University610064 ChengduSichuanChina School of Physical and Mathematical sciences Nanyang Technological University637371 SingaporeSingapore Departments of Electrical and Computer Engineering Physics and Astronomyand Materials Science and NanoEngineeringRice UniversityHoustonTXUSA

Nonlinear optical activities,especially second harmonic generation(SHG),are key phenomena in inversion-symmetrybroken two-dimensional(2D)transition metal dichalcogenides(TMDCs).On the other hand,anisotropic nonlinear optical processes are important for unique applications in nano-nonlinear photonic devices with polarization functions,having become one of focused research topics in the field of nonlinear ***,the strong nonlinearity and strong optical anisotropy do not exist simultaneously in common 2D ***,we demonstrate strong secondorder and third-order susceptibilities of 64 pm/V and 6.2×10^(-19)m^(2)/V^(2),respectively,in the even-layer PdPSe,which has not been discovered in other common TMDCs(e.g.,MoS2).Strikingly,it also simultaneously exhibited strong SHG anisotropy with an anisotropic ratio of~45,which is the largest reported among all 2D materials to date,to the best of our *** addition,the SHG anisotropy ratio can be harnessed from 0.12 to 45(375 times)by varying the excitation wavelength due to the dispersion ofχ^(2)*** an illustrative example,we further demonstrate polarized SHG imaging for potential applications in crystal orientation identification and polarization-dependent spatial *** findings in 2D PdPSe are promising for nonlinear nanophotonic and optoelectronic applications.

关键词： materials anisotropy nonlinear

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Playdough-like carbon electrode: A promising strategy for high efficiency perovskite solar cells and modules

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escience 2024年第2期4卷 101-107页

作者： Aodong Zhu Lin chen Ao Zhang chenpu Zhu Xinxin Zhang jie Zhong Fuzhi Huang Yi-Bing cheng Junyan Xiao School of Materials science and Engineering Wuhan University of Technology122 Luoshi RoadWuhanHubeiChina state key laboratory of Advanced Technologies for Materials Synthesis and Processing Wuhan University of Technology122 Luoshi RoadWuhanHubeiChina School of Chemistry and Chemical Engineering Huazhong University of Science and Technology1037 Luoyu RoadWuhanHubeiChina Research Centre for Advanced Thin Film Photovoltaics Wuhan University of Technology122 Luoshi RoadWuhanHubeiChina Jinan Municipal Bureau of Industry and Information Technology JinanShandongChina

Carbon-based perovskite solar cells(C-PSCs)are promising candidates for large-scale photovoltaic applications due to their theoretical low cost and high ***,the fabrication of high-performance C-PSCs with large-area electrodes remains *** this work,we propose a novel playdough-like graphite putty as top electrode in the perovskite *** electrode with soft nature can form good contact with the holetransporting layer and the conductive substrate at room temperature by a simple pressing technique,which facilitates the fabrication of both small-area devices and perovskite solar *** this preliminary research,the corresponding small devices and modules can achieve efficiencies of 20.29%(~0.15 cm^(2))and 16.01%(~10 cm^(2)),***,we analyze the limitations of the optical and electrical properties of this playdough-like graphite electrode on the device performance,suggesting a direction for further improvement of C-PSCs in the future.

关键词： Perovskite solar cells Large-area module Carbon electrode Conductive playdough

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Catalytic conversion of mixed polyolefins under mild atmospheric pressure

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The Innovation 2024年第2期5卷 98-106页

作者： Binzhi Zhao Hui Tan jie yang Xiaohui Zhang Zidi Yu Hanli Sun Jialiang Wei Xinyi Zhao Yufeng Zhang Lili chen Dali yang Jin Deng Yao Fu Zheng Huang Ning Jiao state key laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China Beijing National laboratory for Molecular sciences College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China The Institute for Advanced Studies Wuhan UniversityWuhan 430072China Hefei National laboratory for Physical sciences at the Microscale CAS Key Laboratory of Urban Pollutant ConversionAnhui Province Key Laboratory of Biomass Clean EnergyiChEMUniversity of Science and Technology of ChinaHefei 230026China state key laboratory of Organometallic Chemistry Chinese Academy of SciencesShanghai 200032China

The chemical recycling of polyolefin presents a considerable challenge,especially as upcycling methods struggle with the reality that plastic wastes typically consist of mixtures of polyethylene(PE),polystyrene(PS),and polypropylene(PP).We report a catalytic aerobic oxidative approach for polyolefins upcycling with the corresponding carboxylic acids as the *** method encompasses three key ***,it operates under atmospheric pressure and mild conditions,using O_(2) or air as the ***,it is compatible with high-density polyethylene,low-density polyethylene,PS,PP,and their ***,it uses an economical and recoverable metal *** has been demonstrated that this approach can efficiently degrade mixed wastes of plastic bags,bottles,masks,and foam boxes.

关键词： mixed Catalytic oxidative

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10B-doped MCP detector developed for neutron resonance imaging at Back-n white neutron source

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Nuclear science and Techniques 2024年第8期35卷 58-68页

作者： Qiang Li Li‑Jiao Wang Jing‑Yu Tang Xiang‑Biao Qiu Zhen chen Mao‑Yuan Zhao Chang‑Jun Ning Kai Pan Wei Xu Tao Li Su‑Peng Lu Han Yi Rui‑Rui Fan Chang‑Qing Feng Rong Zhang Xiao‑yang Sun Qi An Hao‑Fan Bai Jiang‑Bo Bai jie Bao Ping Cao Qi‑Ping chen Yong‑Hao chen Zeng‑Qi Cui An‑Chuan Fan Fan‑Zhen Feng Min‑Hao Gu Chang‑Cai Han Zi‑jie Han Guo‑Zhu He Yong‑cheng He yang Hong Yi‑Wei Hu Han‑Xiong Huang Wei Jiang Zhi‑jie Jiang Zheng‑Yao Jin Ling Kang Bo Li Gong Li Xiao Li yang Li jie Liu Rong Liu Shu‑Bin Liu Yi‑Na Liu Guang‑Yuan Luan jie Ren Zhi‑Zhou Ren Xi‑Chao Ruan Zhao‑Hui Song Kang Sun Zhi‑Xin Tan Sheng‑Da Tang Jin‑cheng Wang Peng‑cheng Wang Zhao‑Hui Wang Zhong‑Wei Wen Xiao‑Guang Wu Xuan Wu Cong Xia Yong‑Ji Yu Guo‑Hui Zhang Hang‑Chang Zhang Lin‑Hao Zhang Qi‑Wei Zhang Xian‑Peng Zhang Yu‑Liang Zhang Yue Zhang Zhi‑Yong Zhang Zhi‑Hao Zhou Ke‑Jun Zhu Chong Zou Institute of High Energy Physics Chinese Academy of Sciences(CAS)Beijing 100049China Spallation Neutron Source science Center Dongguan 523803China state key laboratory of Particle Detection and Electronics Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Dongguan Songshan Lake Future School Dongguan 523808China School of Nuclear science and Technology University of Science and Technology of ChinaHefei 230027China state key laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China North Night Vision science and Technology(nanjing)Research Institute Co.Ltd Nanjing 211106China Department of Modern Physics University of Science and Technology of ChinaHefei 230026China state key laboratory of Nuclear Physics and Technology School of PhysicsPeking UniversityBeijing 100871China Institute of Modern Physics Fudan UniversityShanghai 200433China key laboratory of Nuclear Data China Institute of Atomic EnergyBeijing 102413China china Academy of Engineering Physics Institute of Nuclear Physics and ChemistryMianyang 621900China USTC archaeometry lab University of Science and Technology of ChinaHefei 230026China Northwest Institute of Nuclear Technology Xi’an 710024China university of Chinese Academy of sciences Beijing 100049China china Shipbuilding Trading Co. LtdBeijing 100044China

Neutron resonance imaging(NRI)has recently emerged as an appealing technique for neutron *** complexity surpasses that of conventional transmission imaging,as it requires a high demand for both a neutron source and ***,the progression of NRI technology has been sluggish since its inception in the 1980s,particularly considering the limited studies analyzing the neutron energy range above *** white neutron source(Back-n)at the china Spallation Neutron Source(CSNS)provides favorable beam conditions for the development of the NRI technique over a wide neutron energy range from eV to ***-sensitive microchannel plates(MCP)have emerged as a cutting-edge tool in the field of neutron detection owing to their high temporal and spatial resolutions,high detection efficiency,and low *** this study,we report the development of a 10B-doped MCP detector,along with its associated electronics,data processing system,and NRI experiments at the *** heavy elements such as gold,silver,tungsten,and indium can be easily identified in the transmission images by their characteristic resonance peaks in the 1–100 eV energy range;the more difficult medium-weight elements such as iron,copper,and aluminum with resonance peaks in the 1–100 keV energy range can also be *** particular,results in the neutron energy range of dozens of keV(Aluminum)are reported here for the first time.

关键词： Neutron resonance imaging 10B doped MCP detector White neutron source Sample nuclide identification

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