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Molecular recognition of cyclophanes in water

Chinese Chemical Letters 2024年第5期35卷 32-44页

作者： Fang-Yuan Chen Wen-Chao Geng Kang Cai 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 College of Chemistry Nankai UniversityTianjin 300071China

Molecular recognition in water,the biological solvent,always receives significant research focus in supramolecular *** mechanisms of molecular recognition in water is key to comprehending biological processes at the molecular *** the past five decades,supramolecular chemists have developed a vast array of synthetic receptors with highly diverse structures and recognition *** them,cyclophanes represent an important family of macrocyclic receptors that have been extensively *** aromatic moieties in cyclophanes not only facilitate chemical modifications to impart water solubility but also enable forming hydrophobic cavities for guest inclusion in aqueous *** by Koga et al.,who reported the first inclusion complex of cyclophanes in water and solid state,numerous water-soluble cyclophanes,including derivatives of blue box,calixarenes,resorcinarenes,pillararenes,octopusarenes,biphenarenes,coronarenes,and naphthotubes,etc.,have been synthesized and subjected to investigation of the recognition capabilities in aqueous *** review provides an overview of cyclophane receptors designed to bind organic guests in *** categorize them into two classes based on the modifications made to their hydrophobic cavities:those with“exo-functionalized hydrophobic cavities”and those with“endo-functionalized hydrophobic cavities”.We introduce their distinctive features and discuss strategies to enhance recognition affinity and *** review aims to inspire the development of novel synthetic receptors with intriguing properties and foster practical applications of cyclophanes.

关键词： Biomimetic receptor Cyclophane Molecular recognition Hydrophobic effect High-affinity Macrocycles

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New clinical trial design in precision medicine:discovery,development and direction

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Signal Transduction and Targeted Therapy 2024年第4期9卷 1293-1321页

作者： Xiao-Peng Duan Bao-dong Qin Xiao-dong Jiao Ke Liu Zhan Wang Yuan-sheng Zang Department of Medical Oncology Changzheng HospitalNaval Medical UniversityShanghaiChina

In the era of precision medicine,it has been increasingly recognized that individuals with a certain disease are complex and different from each *** to the underestimation of the significant heterogeneity across participants in traditional"one-sizefits-all"trials,patient-centered trials that could provide optimal therapy customization to individuals with specific biomarkers were developed including the basket,umbrella,and platform trial designs under the master protocol *** recent years,the successive FDA approval of indications based on biomarker-guided master protocol designs has demonstrated that these new clinical trials are ushering in tremendous *** the rapid increase in the number of basket,umbrella,and platform trials,the current clinical and research understanding of these new trial designs,as compared with traditional trial designs,remains *** majority of the research focuses on methodologies,and there is a lack of in-depth insight concerning the underlying biological logic of these new clinical trial ***,we provide this comprehensive review of the discovery and development of basket,umbrella,and platform trials and their underlying logic from the perspective of precision ***,we discuss future directions on the potential development of these new clinical design in view of the"Precision Pro","Dynamic Precision",and"Intelligent Precision".This review would assist trial-related researchers to enhance the innovation and feasibility of clinical trial designs by expounding the underlying logic,which be essential to accelerate the progression of precision medicine.

关键词： clinical approval successive

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Natural Disaster Risk Monitoring for Immovable Cultural Relics Based on Digital Twin

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Journal of Geodesy and Geoinformation Science 2024年第1期7卷 90-104页

作者： LI Bolun dong Youqiang qiao Yunfei HOU Miaole WEN Caihuan The International Joint Laboratory of Safety and Energy Conservation for Ancient Buildings Beijing University of Civil Engineering and ArchitectureBeijing 102616China China Cultural Heritage Information and Consulting Center Beijing 100029China Hebei Institute of Geological Surveying and Mapping Langfang 065000China

Natural disaster risk monitoring is an important task for disaster prevention and *** the case of immovable cultural relics,however,the feedback mechanism,risk factors,monitoring logic,and monitoring indicators of natural disaster risk monitoring are *** to achieve intelligent perception and monitoring of natural disaster risk for immovable cultural relics has always been a focus and a challenge for *** on the analysis of the concepts and issues related to the natural disaster risk of immovable cultural relics,this paper proposes a framework for natural disaster risk monitoring for immovable cultural relics based on the digital *** framework focuses on risk monitoring,including the physical entities of natural disaster risk for immovable cultural relics,monitoring indicators,and virtual entity construction.A platform for monitoring the natural disaster risk of immovable cultural relics is *** the Puzhou Ancient City Site as a test bed,the proposed concept can be used for monitoring the natural disaster risk of immovable cultural relics at different scales.

关键词： immovable cultural relics natural disaster risk digital twin risk monitoring

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Qualitative analysis of aromatic compounds via 1D TOCSY techniques

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Magnetic Resonance Letters 2024年第1期4卷 21-27页

作者： Wenbo dong Qi Zhao Jiancheng Zhao Jiarong Zhang Yingxiong Wang Yan qiao State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of Sciences27 South Taoyuan RoadTaiyuan030001China Graduate University of Chinese Academy of Sciences Beijing100049China Marine Biomedical Research Institution Guangdong Medical UniversityZhanjiang524023China College of Chemistry Taiyuan University of Technology79 Yingze West StreetWanbailin DistrictTaiyuan030024China

The aromatic compounds,including o-xylene,m-xylene,p-xylene,and ethylbenzene,primarily originate from the catalytic reforming of crude oil,and have a wide variety of ap***,because of similar physical and chemical properties,these compounds are difficult to be identified by gas chromatography(GC)without standard *** the development of modern nuclear magnetic resonance(NMR)techniques,NMR has emerged as a powerful and efficient tool for the rapid analysis of complex and crude mixtures without *** this study,the parameters of one-dimensional(1D)total correlation spectroscopy(TOCSY)NMR techniques,including 1D selective gradient TOCSY and 1D chemicalshift-selective filtration(CSSF)with TOCSY,were optimized to obtain comprehensive molecular structure *** results indicate that the overlapped signals in NMR spectra of nonpolar aromatic compounds(including o-xylene,m-xylene,p-xylene and ethylbenzene),polar aromatic compounds(benzyl alcohol,benzaldehyde,benzoic acid),and aromatic compounds with additional conjugated bonds(styrene)can be resolved in 1D *** importantly,full molecular structures can be clearly distinguished by setting appropriate mixing time in 1D *** approach simplifies the NMR spectra,provides structural information of entire molecules,and can be applied for the analysis of other structural isomers.

关键词： 1D TOCSY NMR technologies Xylenes Aromatic compounds Structure information of entire molecular Qualitative analysis

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Oilfield analogy and productivity prediction based on machine learning: Field cases in PL oilfield, China

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Petroleum Science 2024年第4期21卷 2554-2570页

作者： Wen-Peng Bai Shi-Qing Cheng Xin-Yang Guo Yang Wang qiao Guo Chao-dong Tan State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum (Beijing)

In the early time of oilfield development, insufficient production data and unclear understanding of oil production presented a challenge to reservoir engineers in devising effective development plans. To address this challenge, this study proposes a method using data mining technology to search for similar oil fields and predict well productivity. A query system of 135 analogy parameters is established based on geological and reservoir engineering research, and the weight values of these parameters are calculated using a data algorithm to establish an analogy system. The fuzzy matter-element algorithm is then used to calculate the similarity between oil fields, with fields having similarity greater than 70% identified as similar oil fields. Using similar oil fields as sample data, 8 important factors affecting well productivity are identified using the Pearson coefficient and mean decrease impurity（MDI） method. To establish productivity prediction models, linear regression（LR）, random forest regression（RF）, support vector regression（SVR）, backpropagation（BP）, extreme gradient boosting（XGBoost）, and light gradient boosting machine（Light GBM） algorithms are used. Their performance is evaluated using the coefficient of determination（R2）, explained variance score（EV）, mean squared error（MSE）, and mean absolute error（MAE） metrics. The Light GBM model is selected to predict the productivity of 30 wells in the PL field with an average error of only 6.31%, which significantly improves the accuracy of the productivity prediction and meets the application requirements in the field. Finally, a software platform integrating data query,oil field analogy, productivity prediction, and knowledge base is established to identify patterns in massive reservoir development data and provide valuable technical references for new reservoir development.

关键词： Data mining technique Analogy parameters Oilfield analogy Productivity prediction Software platform

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Relative difficulty distillation for semantic segmentation

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Science China(Information Sciences) 2024年第9期67卷 126-145页

作者： dong LIANG Yue SUN Yun DU Songcan CHEN sheng-Jun HUANG MIIT Key Laboratory of Pattern Analysis and Machine Intelligence College of Computer Science and Technology Nanjing University of Aeronautics and Astronautics Shenzhen Research Institute Nanjing University of Aeronautics and Astronautics

Current knowledge distillation(KD) methods primarily focus on transferring various structured knowledge and designing corresponding optimization goals to encourage the student network to imitate the output of the teacher network. However, introducing too many additional optimization objectives may lead to unstable training, such as gradient conflicts. Moreover, these methods ignored the guidelines of relative learning difficulty between the teacher and student networks. Inspired by human cognitive science, in this paper, we redefine knowledge from a new perspective — the student and teacher networks' relative difficulty of samples, and propose a pixel-level KD paradigm for semantic segmentation named relative difficulty distillation(RDD). We propose a two-stage RDD framework: teacher-full evaluated RDD(TFE-RDD) and teacher-student evaluated RDD(TSE-RDD). RDD allows the teacher network to provide effective guidance on learning focus without additional optimization goals, thus avoiding adjusting learning weights for multiple losses. Extensive experimental evaluations using a general distillation loss function on popular datasets such as Cityscapes, Cam Vid, Pascal VOC, and ADE20k demonstrate the effectiveness of RDD against state-ofthe-art KD methods. Additionally, our research showcases that RDD can integrate with existing KD methods to improve their upper performance bound. Codes are available at https://***/sunyueue/***.

关键词： knowledge distillation semantic segmentation relative difficulty sample weighting prediction discrepancy

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Effects of the conversion of natural tropical rainforest to monoculture rubber plantations on soil hydrological processes

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Journal of Plant Ecology 2024年第2期17卷 122-133页

作者： qiaoyan Chen Ruiyu Fu Siyuan Cheng dong qiao Zhongmin Hu Zijia Zhang Licong Dai Hainan Baoting Tropical Rainforest Ecosystem Observation and Research Station School of Ecology and EnvironmentHainan UniversityHaikou 570228China Center for Eco-Environment Restoration Engineering of Hainan Province Hainan UniversityHaikou 570228China Hainan Ecological Environment Monitoring Center Haikou 570100China

Rubber plantations have increased signifcantly under unprecedented economic growth in tropical areas,which leads to soil degradation and thereby alters soil hydrological ***,our understanding of how forest conversion affects soil hydrological processes remains ***,we collected soil samples from secondary forests(SF)and rubber plantations(RP)to determine the soil hydrological *** found the topsoil(0-20 cm)water retention in SF was higher than that of RP but displayed the contrast pattern in a deeper soil layer(20-60 cm).Meanwhile,the soil infltration rates among the two vegetation types decreased signifcantly with infltration time,with higher stable soil infltration rates in SF than those in ***,soil properties were also impacted by the forest conversion,such as the topsoil capillary porosity(CP)and total porosity(TP)in SF were higher than those of RP but contrasted in a deep soil *** comparison,the topsoil bulk density(BD)in SF was lower than that of RP,but contrasted in the deep soil layer and reached a signifcant level in the 0-10 and 40-50 cm(P<0.05).Overall,the soil water retention was mainly determined by the CP,which could explain 31.56%of the total variance in soil water retention,followed by TP(26.57%)and soil BD(26.47%),whereas soil texture exerts a weak effect on soil water ***,we can conclude that the conversion of tropical rainforest into rubber plantations may accelerate soil erosion owing to its lower topsoil water retention and soil infltration rates.

关键词： soil water retention soil infltration soil physicochemical properties rubber plantations secondary forest

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Large Tunneling Magnetoresistance and Perfect Spin Filtering Effect in van der Waals Cu/FeX_(2)/h-BN/FeX_(2)/Cu(X=Cl,Br,I)Magnetic Tunnel Junctions

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Chinese Physics Letters 2024年第10期41卷 112-118页

作者： Xinlong dong Xiaowen Shi Dan qiao Zeyu Li Yuhao Bai Zhenhua qiao Xiaohong Xu College of Physics and Information Engineering Shanxi Normal UniversityTaiyuan 030031China Key Laboratory of Magnetic Molecules and Magnetic Information Materials of the Ministry of Education Research Institute of Materials ScienceShanxi Normal UniversityTaiyuan 030031China International Center for Quantum Design of Functional Materials University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

The two-dimensional magnetic van der Waals heterojunctions have opened unprecedented opportunities to explore new physics due to their potential for spintronic ***,combing density functional theory with non-equilibriu... 详细信息

关键词： technique. resistance Perfect

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Genes & Diseases 2024年第1期11卷 358-366页

作者： Xinrui dong Ye Li Xiaonan sheng Weihang Zhou Aijun Sun Huijuan Dai Department of Breast Surgery Renji HospitalSchool of MedicineShanghai Jiaotong UniversityShanghai 200127China Department of Thyroid and Breast Oncological Surgery Xuzhou Medical College Affiliated Huaian HospitalHuai'anJiangsu 223001China

Ferroptosis is a novel form of regulated cell death characterized by iron-dependent excessive lipid *** core organelle involved in ferroptosis is ***-chondria undergoing ferroptosis are distinct from normal mitochondria in terms of morphology,biochemistry,gene expression,and energy *** increasing number of studies have shown that mitochondria and their associated metabolic pathways mediate ferroptosis in the development and progression of breast *** this review,we discuss the relevant research about ferroptosis in breast cancer and provide a comprehensive summary of mitochondrial regulation in ferroptosis from the perspective of lipid metabolism,oxidative phosphorylation,ion metabolism,glycometabolism,and nucleotide *** also summarize the appli-cation of mitochondrial metabolism-related pathways as ferroptosis treatment *** we provide new insights into the relationship between mitochondria,ferroptosis,and breast cancertreatment.

关键词： Breast cancer Cancer treatment Ferroptosis Lipid metabolism Mitochondria Oxidative phosphorylation

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A family of quantum von Neumann architecture

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Chinese Physics B 2024年第8期33卷 56-61页

作者：王东升 CAS Key Laboratory of Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China

We develop universal quantum computing models that form a family of quantum von Neumann architectures,with modular units of memory,control,CPU,and internet,besides input and *** family contains three generations characterized by dynamical quantum resource theory,and it also circumvents no-go theorems on quantum programming and *** universality,such a family satisfies other desirable engineering requirements on system and algorithm design,such as modularity and programmability,hence serves as a unique approach to building universal quantum computers.

关键词： von Neumann architecture quantum resource theory quantum computing

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