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Ultra-highly selective recognition of nucleosides over nucleotides by rational modification of tetralactam macrocycle and its application in enzyme assay

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Chinese Chemical Letters 2024年第6期35卷 274-278页

作者： Huan Yao Jian Qin Yan-Fang Wang Song-Meng Wang liu-Huan Yi Shi-Yao Li Fangfang Du liu-pan yang Li-Li Wang School of Pharmaceutical Science Postdoctoral Research Station of Basic MedicineHengyang Medical SchoolUniversity of South ChinaHengyang 421001China Department of Chemistry Southern University of Science and TechnologyShenzhen 518055China

Artificial macrocycle with high binding selectivity in water is often challenging but urgently needed in various research and application ***,we report a new water-soluble biomimetic tetralactam macrocycle and realize the ultra-high selectivity to nucleosides over corresponding monophosphate nucleotides by rational *** introduction of charged groups at the periphery of endofunctionalized cavity makes the selectivity(guanosine to guanosine 5-monophosphate)increase remarkably from 100 to *** on the ultra-high selectivity of biomimetic tetralactam macrocycle,the sensitive CD73 enzyme activity assay was then achieved through product-selective fluorescence indicator displacement ***,the capability of the proposed method for inhibitor screening was successfully displayed.

关键词： Rational modification Biomimetic macrocycle Ultra-high selectivity Enzyme assay

Small modifications of endo-functionalized cavities lead to large changes in molecular interaction in water

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Science China Chemistry 2024年

作者： Song-Meng Wang Hao Nian Yan-Fang Wang Li-Shuo Zheng Yu-Tao Zheng Yi-Wei Dong Li-Ping Huang Xiao-Ping Wang Wei Jiang liu-pan yang Department of Chemistry Southern University of Science and Technology School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources Guangxi Normal University School of Pharmaceutical Science Hengyang Medical School University of South China

Studying molecular recognition in aqueous environments is crucial for understanding biological processes. Herein, we present a series of N-doped endo-functionalized anthracene-based cavities by introducing inward-directed pyridine units. The subtle modifications can significantly affect the binding properties of these receptors, which is similar to the mutations in biological systems. Combining theoretical calculations and molecular recognition experiments demonstrated that these “mutations” have an impact on the hydrophobicity and charge distribution of the hosts, consequently significantly influencing molecular *** is crucial for understanding the intricate mechanisms of molecular-level interactions in biological receptors.

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Selective Recognition of Quaternary Ammonium Ions by Structurally Flexible Cages

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Chinese Journal of Chemistry 2021年第6期39卷 1593-1598页

作者： Qi-Cheng Huang Mao Quan Huan Yao liu-pan yang Wei Jiang Shenzhen Grubbs Institute Department of ChemistryGuangdong Provincial Key Laboratory of CatalysisAcademy of Advanced Interdisciplinary StudiesSouthern University of Science and TechnologyXueyuon Blvd 1088ShenzhenGuangdong 518055China

The binding behaviors of three structurally similar and flexible cages to a series of quaternary ammonium ions have been systematically *** cage with phenyl sidewalls is new;moreover,its structure and conformational states have been characterized by NMR;2D NMR,and X-ray *** results reveal that the three cages show quite high binding affinities and selectivities to different ***-entropy compensation was invoked to explain the different binding ***,a six-component,high-fidelity self-sorting system was successfully constructed by using these cages and three *** suggests that conformationally flexible hosts may also achieve high binding affinities and selectivities,which is in contrast to the traditional point of view-only preorganized and rigid hosts are able to do *** research advocates that conformational flexibility should also be seriously considered in host design.

关键词： Macrocycles Molecular recognition Host-guest systems Supramolecular chemistry Thermodynamics

Molecular recognition and fluorescent sensing of urethane in water

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Chinese Chemical Letters 2019年第4期30卷 881-884页

作者： Lin-Ming Bai Huan Yao liu-pan yang Wen Zhang Wei Jiang School of Science Xi'an Jiaotong University Department of Chemistry Southern University of Science and Technology

Molecular recognition and fluorescent sensing of Group 2A carcinogen-urethane was achieved in aqueous solution. The molecular sensors are the endo-functionalized molecular tubes with amide protons in the hydrophobic cavity.~1H NMR, fluorescence, and ITC titrations and single crystal X-ray crystallography reveal the binding stoichiometry, the binding affinities, and the driving forces. The binding is mainly driven by the hydrophobic effect through releasing the "high-energy" cavity water with minor contribution from hydrogen bonding. In addition, the syn-configured molecular tube was found to be a good fluorescent sensor for urethane in water(concentration range: 6.2–60 mmol/L) and in beer(concentration range: 22.9–60 mmol/L).

关键词： Host-guest chemistry Molecular recognition Urethane Fluorescent sensing

A phase-selective,bis-urea organogelator with a curved bis-naphthalene core

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Chinese Chemical Letters 2017年第4期28卷 782-786页

作者： Huan Yao liu-pan yang Zhen-feng He Jia-Rong Li Wei Jiang School of Chemical Engineering and Environment Beijing Institute of Technology Department of Chemistry South University of Science and Technology of China Dalian Institute of Chemical Physics Chinese Academy of Science School of Chemical Engineering and Environment North University of China

A phase-selective,bis-urea organogelator with a curved bis-naphthalene core was synthesized and *** gelator is capable of gelating a variety of hydrocarbons and *** resulting gels have been characterized by rheology,SEM,and molecular *** gelator can be applied in the powder form for the recovery of a thin layer of petrol oil spill in water.

关键词： Organogelator Phase-selective Bis-naphthalene Supramolecular gel Oil spill recovery

AI for tribology:Present and future

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Friction 2024年第6期12卷 1060-1097页

作者： Nian YIN Pufan yang Songkai liu Shuaihang pan Zhinan ZHANG State Key Laboratory of Mechanical System and Vibration Shanghai Jiao Tong UniversityShanghai 200240China School of Mechanical Engineering Shanghai Jiao Tong UniversityShanghai 200240China Department of Mechanical Engineering University of UtahSalt Lake CityUT 84112USA

With remarkable learning capabilities and swift operational speeds,artificial intelligence(AI)can assist researchers in swiftly extracting valuable patterns,trends,and associations from subjective *** behaviors are characterized by dependence on systems,evolution with time,and multidisciplinary *** friction process involves a variety of phenomena,including mechanics,thermology,electricity,optics,magnetics,and so ***,tribological information possesses the distinct characteristics of being multidisciplinary,multilevel,and multiscale,so that the application of AI in tribology is highly *** delineate the scope,classification,and recent trends of AI implementation in tribology,this review embarks on exploration of the tribology research *** comprehensively outlines the utilization of AI in basic theory of tribology,intelligent tribology,component tribology,extreme tribology,bio-tribology,green tribology,and other ***,considering the emergence of"tribo-informatics"as a novel interdisciplinary field,which combines tribology with informatics,this review elucidates the future directions and research framework of"AI for tribology".In this paper,tribo-system information is divided into 5 categories:input information(I),system intrinsic information(S),output information(O),tribological state information(Ts),and derived state information(Ds).Then,a fusion method among 5 types of tribo-system information and different AI technologies(regression,classification,clustering,and dimension reduction)has been proposed,which enables tribo-informatics methods to solve common problems such as tribological behavior state monitoring,behavior prediction,and system *** purpose of this review is to offer a systematic comprehension of tribo-informatics and to inspire new research ideas of ***,it aspires to enhance the efficiency of problem-solving in tribology.

关键词： artificial intelligence(AI) tribology machine learning tribo-informatics AI for tribology

pan-cancer immunogenic death analysis identifies key roles of CXCR3 and CCL18 in hepatocellular carcinoma

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Genes & Diseases 2024年第2期11卷 568-570页

作者： Jia Guo Xin Sun Guowei pan Ce Li Xin He Xiaofang Che Zan Teng Xiujuan Qu Yunpeng liu Bowen yang Department of Medical Oncology Provincial Key Laboratory of Anticancer Drugs and Biotherapy of Liaoning ProvinceLiaoning Provincial Clinical Research Center for CancerClinical Cancer Research Center of ShenyangThe First Hospital of China Medical UniversityShenyangLiaoning 110001China Research Center for Universal Health School of Public HealthChina Medical UniversityShenyangLiaoning 110122China

Immunogenic death is a form of programmed cell death that is common in the development and progression of ***,its impact on tumor progression differs depending on the location of the ***,it also plays an important role in antitumor immunity because the process of immunogenic death can release substances that activate immunity.1 Therefore,in this study,the key mechanism of mediating immunogenic death in hepatocellular carcinoma(HCC)was found from the excavation of the immunogenic death characteristics of pan-cancer and the in-depth investigation of its effects on different tumor types(Fig.1A).

关键词： death CXCR3 immunity

Generating a nanoscale blade-like optical field in a coupled nanofiber pair

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Photonics Research 2024年第1期12卷 154-162页

作者： YUXIN yang JIAXIN GAO HAO WU ZHANKE ZHOU liu yang XIN GUO pan WANG LIMIN TONG Interdisciplinary Center for Quantum Information New Cornerstone Science LaboratoryState Key Laboratory of Extreme Photonics and InstrumentationCollege of Optical Science and EngineeringZhejiang UniversityHangzhou 310027China Jiaxing Key Laboratory of Photonic Sensing&Intelligent Imaging Intelligent Optics&Photonics Research CenterJiaxing Research Institute Zhejiang UniversityJiaxing 314000China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China

An optical field with sub-nm confinement is essential for exploring atomic-or molecular-level light-matter *** such fields demonstrated so far have typically point-like cross-sections,an optical field having a higher-dimensional cross-section may offer higher flexibility and/or efficiency in ***,we propose generating a nanoscale blade-like optical field in a coupled nanofiber pair(CNP)with a 1-nm-width central *** on a strong mode coupling-enabled slit waveguide mode,a sub-nm-thickness blade-like optical field can be generated with a cross-section down to~0.28 nm×38 nm at 1550 nm wavelength(i.e.,a thickness of~λ_(0)∕5000)and a peak-to-background intensity ratio(PBR)higher than 20 d *** slit waveguide mode of the CNP can be launched from one of the two nanofibers that are connected to a standard optical fiber via an adiabatical fiber taper,in which a fundamental waveguide mode of the fiber can be converted into a high-purity slit mode with high efficiency(>98%)within a CNP length of less than 10μm at 1550 nm *** wavelengthdependent behaviors and group velocity dispersion in mode converting processes are also investigated,showing that such a CNP-based design is also suitable for broadband and ultrafast pulsed *** results may open up new opportunities for studying light-matter interaction down to the sub-nm scale,as well as for exploring ultra-high-resolution optical technology ranging from super-resolution nanoscopy to chemical bond manipulation.

关键词： fiber waveguide optical

Bi-level Multi-leader Multi-follower Stackelberg Game Model for Multi-energy Retail Package Optimization

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Journal of Modern Power Systems and Clean Energy 2024年第1期12卷 225-237页

作者： Hongjun Gao Hongjin pan Rui An Hao Xiao Yanhong yang Shuaijia He Junyong liu the College of Electrical Engineering Sichuan UniversityChengdu 610065China the Electric Power Research Institute State Grid Jiangsu Electric Power CompanyNanjing 211100China the Institute of Electrical Engineering Chinese Academy of SciencesBeijing 100190China

In the competitive energy market,energy retailers are facing the uncertainties of both energy price and demand,which requires them to formulate reasonable energy purchasing and selling strategies for improving their competitiveness in this ***,the attractive multi-energy retail packages are the key for retailers to increase their ***,combined with incentive means and price signals,five types of multi-energy retail packages such as peak-valley time-of-use(TOU)price package and day-night bundled price package are designed in this paper for *** iterative interactions between retailers and end-users are modeled using a bi-level model of stochastic optimization based on multi-leader multi-follower(MLMF)Stackelberg game,in which retailers are leaders and end-users are *** make decisions to maximize the profit considering the conditional value at risk(CVaR)while end-users optimize the satisfaction of both energy comfort and ***,a distributed algorithm is proposed to obtain the Nash equilibrium of above MLMF Stackelberg game model while the particle swarm optimization(PSO)algorithm and CPLEX solver are applied to solve the optimization model for each participant(retailer or end-user).Numeral results show that the designed retail packages can increase the overall profit of retailers,and the overall satisfaction of industrial users is the highest while that of residential users is the lowest after game interaction.

关键词： Conditional value at risk(CVaR) energy retailer multi-energy retail package design multi-leader multi-follower(MLMF)Stackelberg game satisfaction