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Molecular docking-aided AIEgen design: concept, synthesis and applications

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Science China Chemistry 2024年第8期67卷 2614-2628页

作者： Jian-Qing Zhang Xiao-Yu Xu Fu-Sheng Liu Shu-Qiang Cao Yu-xin Gui Yi-Wen Su Xiao-Yu He Ji-Yuan Liang You-Quan zou Department of Radiation and Medical Oncology Zhongnan Hospital of Wuhan UniversitySchool of Pharmaceutical SciencesWuhan UniversityWuhan 430071China Key Laboratory of Combinatorial Biosynthesis and Drug Discovery Ministry of EducationWuhan UniversityWuhan 430071China Tai Kang Center for Life and Medical Sciences Wuhan UniversityWuhan 430071China Department of Hepatobiliary Pancreatic SurgeryZhongnan Hospital of Wuhan UniversityWuhan 430071China

Aggregate-induced emission luminogens(AIEgens) have been widely used in biological imaging, chemical sensing, and disease treatments. The rational design and construction of AIEgens have received considerable research interests during the last few years. Herein, molecular docking-aided AIEgen design has been reasonably proposed and AIEgen TBQZY with excellent ~1O_(2) generation ability has been synthesized. The newly developed TBQZY could efficiently kill S. epidermidis and methicillinresistant S. epidermidis(MRSE) by tightly binding to bacteria and triggering the accumulation of ~1O_(2) in bacteria. TBQZY specifically regulated the immune system and polarized macrophages from M1 to M2 to accelerate the elimination of biofilm in vivo. In addition, healing acceleration was observed in chronic wounds treated with TBQZY, and side effects were ***, TBQZY had extraordinary potential for combating drug-resistant bacteria in the clinical setting. This research not only provided new concepts for the design of AIEgens, but also shed some lights on the discovery of drugs against drug-resistant bacteria.

关键词： AIEgen molecular docking drug-resistant bacteria biofilm chronic wounds healing

Tal6b/AvrXa27A,a hidden TALE targeting the susceptibility gene OsSWEET11a and the resistance gene Xa27 in rice

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Plant Communications 2024年第2期5卷 122-134页

作者： Zhengyin Xu Xiameng Xu ying Li Linlin Liu Qi Wang Yijie Wang Yong Wang Jiali Yan Guanyun Cheng Lifang zou Bo Zhu Gongyou Chen Shanghai Collaborative Innovation Center of Agri-Seeds School of Agriculture and BiologyShanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Microbial Metabolism Shanghai Jiao Tong UniversityShanghai 200240China

Xanthomonas oryzae ***(Xoo)secretes transcription activator-like effectors(TALEs)to activate rice susceptibility(S)genes,causing bacterial blight(BB),as well as resistance(R)genes,leading to de-fense against *** activation follows a gene-for-gene paradigm that results in an arms race between the TALE of the pathogen and effector-binding elements(EBEs)in the promoters of host *** this study,we characterized a novel TALE,designated Tal6b/AvrXa27A,that activates the rice S gene OsSWEET11a and the rice R gene ***6b/AvrXa27A is a member of the AvrXa27/TalAO class and contains 16 repeat variable diresidues(RVDs);one RVD is altered and one is deleted in Tal6b/AvrXa27A compared with AvrXa27,a known avirulence(avr)effector of ***6b/AvrXa27A can transcriptionally activate the expression of Xa27 and OsSWEET11a via EBEs in their corresponding promoters,leading to effector-triggered immunity and susceptibility,*** 16 RVDs in Tal6b/AvrXa27A have no obvious similarity to the 24 RVDs in the effector PthXo1,but EBETal6b and EBEPthXo1 are overlapped in the OsSWEET11a ***6b/AvrXa27A is prevalent among Asian Xoo isolates,but PthXo1 has only been reported in the Philippine strain *** editing of EBETal6b in the OsSWEET11a pro-moter further confirmed the requirement for OsSWEET11a expression in Tal6b/AvrXa27A-dependent susceptibility to ***,Tal6b/AvrXa27A resulted in higher transcription of Xa27 than of OsSWEET11a,which led to a strong,rapid resistance response that blocked disease *** suggest that Tal6b/AvrXa27A has a dual function:triggering resistance by activating Xa27 gene expression as an avirulence factor and inducing transcription of the S gene OsSWEET11a,resulting in ***,Tal6b/AvrXa27A,but not AvrXa27,can bind to the promoter of *** underlying recognition mechanism for this binding remains unclear but appears to deviate from the currently accepted TALE code.

关键词： Xanthomonas oryzae pv.oryzae TALE AvrXa27 tal6b Xa27 OsSWEET11a

Dynamic impact properties of deep sandstone under thermal-hydraulicmechanical coupling loads

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Journal of Mountain Science 2024年第6期21卷 2113-2129页

作者： CAO Chunhui DING Haonan zou Baoping School of Civil Engineering and Architecture Zhejiang University of Science and TechnologyHangzhou 310023China Zhejiang-Singapore Joint Laboratory for Urban Renewal and Future City Hangzhou 310023China

The deep rock mass within coal mines situated in a challenging environment are characterized by high ground stress,high geotemperature,high osmotic water pressure,and dynamic disturbances from mechanical *** investigate the impact of this complex mechanical environment on the dynamic characteristics of roof sandstone in self-formed roadways without coal pillars,standard specimens of deep sandstone from the 2611 upper tunnel working face of the Yongmei Company within the Henan Coal Chemical Industry Group in Henan,China were prepared,and an orthogonal test was *** a self-developed geotechnical dynamic impact mechanics test system,triaxial dynamic impact tests under thermal-hydraulicmechanical coupling conditions were conducted on deep *** results indicate that under high confining pressure,deep sandstone exhibits pronounced brittle failure at low temperatures,with peak strength gradually decreasing as temperature and osmotic water pressure ***,under low confining pressure and low temperature,the brittleness of deep sandstone weakens gradually,while ductility ***,sandstone demonstrates higher peak strength at low temperatures under high axial pressure conditions,lower peak strength at high temperatures,and greater strain under low axial pressure and high osmotic water *** in impact air pressure and osmotic water pressure have proportionally greater effects on peak stress and peak *** 50%of the input strain energy is utilized as effective energy driving the sandstone fracture *** analysis identifies the optimal combination of factors affecting the peak stress and peak strain of *** the coupling effect,intergranular and transgranular fractures occur within the *** images illustrate that the damage forms range from minor damage with multiple fissures to extensive fractures and severe *** study elucidates the varied dynamic impact me

关键词： Deep sandstone Thermal-hydraulicmechanical coupling Dynamic impact Stress-strain Failure Modes Polar analysis

Jackknife Model Averaging for Composite Quantile Regression

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Journal of Systems Science & Complexity 2024年第4期37卷 1604-1637页

作者： YOU Kang WANG Miaomiao zou Guohua School of Mathematical Sciences Capital Normal UniversityBeijing 100089China School of Chinese Materia Medica Beijing University of Chinese MedicineBeijing 100105China

In this paper,the authors propose a frequentist model averaging method for composite quantile regression with diverging number of *** from the traditional model averaging for quantile regression which considers only a single quantile,the proposed model averaging estimator is based on multiple *** well-known delete-one cross-validation or jackknife approach is applied to estimate the model *** resultant jackknife model averaging estimator is shown to be asymptotically optimal in terms of minimizing the out-of-sample composite final prediction *** studies are conducted to demonstrate the finite sample performance of the new model averaging *** proposed method is also applied to the analysis of the stock returns data and the wage data.

关键词： Asymptotic optimality composite quantile regression cross-validation model averaging

Explaining the dynamics of the sub-relativistic electron third belt in the Earth's radiation belts by using medium Earth orbit satellite observations

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Earth and Planetary Physics 2024年第5期8卷 762-775页

作者： JiaLi Chen Hong zou YuGuang Ye Institute of Space Physics and Applied Technology Peking University

The Earth's electron radiation belts typically exhibit a two-belt structure. However, observations from the Van Allen Probes revealed the existence of a three-belt structure. This structure consists of an inner belt, a slot region, a remnant belt, a “second slot,” and a new outer belt(or the “third belt”). The formation of the structure involves both the partial loss of the original outer belts and the formation of the third belts. These processes are likely associated with radial diffusion induced by ultra-low-frequency(ULF) waves. In this study, we mainly analyzed electron flux data from medium Earth orbit(MEO) navigation satellites M17–M19 to supplement the observational evidence for the sub-relativistic electron(～100–500 keV) three-belt structure. Evidence of substorm injections and ULF waves during the three-belt event was identified, suggesting they played significant roles in the formation and evolution of the third *** injections may introduce new electron populations to the third belt, whereas ULF waves may influence the evolution of the third belt through radial diffusion. Toward the end of the three-belt event, the compression of the magnetosphere by shocks may lead to the dropout of the third belt because of the magnetopause shadowing effect and outward radial diffusion, ultimately disrupting the three-belt structure. This study provides more evidence for the presence of a sub-relativistic electron three-belt structure and offers an analysis of the evolutionary mechanisms of the third belt, which may contribute to a comprehensive understanding of the electron three-belt structure in the radiation belts.

关键词： third belt sub-relativistic electrons three-belt structure radiation belts magnetic storms and substorms wave–particle interactions

Nonlinear uncertainty impact of geometric variations on aerodynamic performance of low-pressure turbine blades with ultra-high loading under extreme operational conditions

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Chinese Journal of Aeronautics 2024年第5期37卷 281-300页

作者： Xiaojing WANG Zhengping zou Chao FU Pengcheng DU School of Energy and Power Engineering Beihang UniversityBeijing 100191China National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics Beihang UniversityBeijing 100191China Research Institute of Aero-Engine Beihang UniversityBeijing 100191China

Uncertainty impact of random geometric variations on the aerodynamic performance of low-pressure turbine blades is considerable,which is further amplified by the current ultra-high-lift design trend for weight ***,this uncertainty impact on ultra-highly loaded blades under extreme operational conditions near the margins with potential large-scale open separation is focused on in this *** is demonstrated that this impact is significant,unfavourable,and nonlinear,which is clearly severer under extreme *** addition to the overall attenuation and notable scattering of specific performance,the operational margins with open separation are also notably scattered with great risk of significant *** scattering and nonlinearity are dominated by the variations in leading-edge *** thinning of leading edge triggers local transition,enhancing downstream friction and reducing resistance to open separation,which is further exacerbated by operational ***,the opposite thickening yields less benefit,implying *** unfavourable impact highlights the need for robust aerodynamic design,where both a safer operational condition and a more robust blade are indispensable,i.e.,a compromise among performance,weight,and *** the necessary limitation of loading levels,a mid-loaded design is recommended to reduce adverse pressure gradients in both the leading edge and rear region of the suction side,which helps to decrease the susceptibility of the transition and open separation to random *** improvements can also be achieved by appropriately thickening the leading edge.

关键词： Ultra-highly loaded turbine blade Geometric variations Uncertainty analysis Operational margins Robust aerodynamic design Nonlinearity

Covariate-Assisted Matrix Completion with Multiple Structural Breaks

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Journal of Systems Science & Complexity 2024年第2期37卷 692-728页

作者： MENG Jing FENG Long zou Changliang WANG Zhaojun School of Statistics and Data Science KLMDASRLEBPSand LPMCNankai UniversityTianjin 300071China

In matrix completion,additional covariates often provide valuable information for completing the unobserved entries of a high-dimensional low-rank matrix *** this paper,the authors consider the matrix recovery problem when there are multiple structural breaks in the coefficient matrix β under the column-space-decomposition model A=Xβ+B.A cumulative sum(CUSUM)statistic is constructed based on the penalized estimation of β.Then the CUSUM is incorporated into the Wild Binary Segmentation(WBS)algorithm to consistently estimate the location of ***,a nearly-optimal recovery of A is *** findings are further corroborated via numerical experiments and a real-data application.

关键词： Additional covariates matrix completion multiple structural breaks wild Binary Segmentation

Long-term survival outcomes and immune checkpoint inhibitor retreatment in patients with advanced cervical cancer treated with camrelizumab plus apatinib in the phase II CLAP study

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Cancer Communications 2024年第6期44卷 654-669页

作者： Chunyan Lan Huaiwu Lu Lin Zhou Kunlun Liao Junxiu Liu Zhiwen Xie Haixi Liang Guorong zou Ting Yang Qin Xu xin Huang Department of Gynecologic Oncology Sun Yat-sen University Cancer CentreGuangzhouGuangdongP.R.China State Key Laboratory of Oncology in South China Collaborative Innovation Centre for Cancer MedicineGuangzhouGuangdongP.R.China Department of Gynecologic Oncology Sun Yat-sen Memorial HospitalGuangzhouGuangdongP.R.China Clinical Research Daytime Treatment Center Sun Yat-sen University Cancer CentreGuangzhouGuangdongP.R.China Department of Obstetrics and Gynecology The First Affiliated Hospital of Sun Yat-sen UniversityGuangzhouGuangdongP.R.China Cancer Institute of Panyu Panyu Central HospitalGuangzhouGuangdongP.R.China Medical Affairs Jiangsu Hengrui Pharmaceuticals Co.LtdShanghaiP.R.China Department of Gynecology Clinical Oncology School of Fujian Medical UniversityFujian Cancer HospitalFuzhouFujianP.R.China

Background:Camrelizumab plus apatinib have demonstrated robust antitumor activity and safety in patients with advanced cervical cancer(CLAP study;NCT03816553).We herein present the updated long-term results of the CLAP study and explore potential biomarkers for *** outcomes of patients who underwent immune checkpoint inhibitor(ICI)retreatment were also ***:In this phase II trial,eligible patients received camrelizumab 200 mg intravenously every two weeks and apatinib 250 mg orally once daily in 4-week cycles for up to two *** was continued until disease progression,unacceptable toxicity,or withdrawal of ***:Between January 21 and August 1,2019,a total of 45 patients were *** were analyzed as of July 31,2023,representing>48 months since treatment initiation for all ***(20.0%)patients completed the 2-year *** median duration of response(DOR)was 16.6 months,and 45.0%of patients achieved a DOR of≥24 *** 12-month progression-free survival(PFS)rate was 40.7%(95%confidence interval[CI],25.2-55.6),with an 18-month PFS rate of 37.8%(95%CI,22.7-52.8).The median overall survival(OS)was 20.3 months(95%CI,9.3-36.9),and the 24-month OS rate was 47.8%(95%CI,31.7-62.3).Age>50 years,programmed death-ligand 1(PD-L1)combined positive score(CPS)≥1(versus[vs.]<1),CPS≥10(vs.<1),high tumor mutational burden,and PIK3CA mutations were associated with improved PFS(hazard ratio[HR]<1)and longer OS(HR<1).Eight patients who initially responded in the CLAP trial but later experienced disease progression were retreated with *** them,2(25.0%)achieved a partial response,while 5(62.5%)had stable ***,four patients who received retreatment with ICIs survived for more than *** new safety signals were identified in the present ***:Long-term survival follow-up data demonstrated that camrelizumab plus apatinib has robust,sustained,and durable efficacy in patients with advanced cervical ca

关键词： Cemrelizumab apatinib programmed cell death-1(PD-1) programmed death-ligand 1(PD-L1) tumor mutational burden(TMB) PIK3CA advanced cervical cancer

Brain Cognition Mechanism-Inspired Hierarchical Navigation Method for Mobile Robots

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Journal of Bionic Engineering 2024年第2期21卷 852-865页

作者： Qiang zou Chengdong Wu Ming Cong Dong Liu Faculty of Robot Science and Engineering Northeastern UniversityShenyang110819China School of Mechanical Engineering Dalian University of TechnologyDalian116024China

Autonomous navigation is a fundamental problem in *** methods generally build point cloud map or dense feature map in perceptual space;due to lack of cognition and memory formation mechanism,traditional methods exist poor robustness and low cognitive *** a new navigation technology that draws inspiration from mammal’s navigation,bionic navigation method can map perceptual information into cognitive space,and have strong autonomy and environment *** improve the robot’s autonomous navigation ability,this paper proposes a cognitive map-based hierarchical navigation ***,the mammals’navigation-related grid cells and head direction cells are modeled to provide the robots with location *** then a global path planning strategy based on cognitive map is proposed,which can anticipate one preferred global path to the target with high efficiency and short ***,a hierarchical motion controlling method is proposed,with which the target navigation can be divided into several sub-target navigation,and the mobile robot can reach to these sub-targets with high confidence ***,some experiments are implemented,the results show that the proposed path planning method can avoid passing through obstacles and obtain one preferred global path to the target with high efficiency,and the time cost does not increase extremely with the increase of experience nodes *** motion controlling results show that the mobile robot can arrive at the target successfully only depending on its self-motion information,which is an effective attempt and reflects strong bionic properties.

关键词： Bionic navigation Spatial localization cells Global path planning Hierarchical motion controlling