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Journal of Environmental Sciences 2024年第8期142卷 269-278页

作者： Ying Lu Se Wang Yifan Shen School of Environmental Science and Engineering Collaborative Innovation Center of Atmospheric Environment and Equipment TechnologyJiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution ControlNanjing University of Information Science and TechnologyNanjing 210044China

The frequent detection of pharmaceutical compounds in the environment has led to a growing awareness,which may pose a major threat to the aquatic *** this study,photodegradation(direct and indirect photolysis)of two different dissociation states of fluoxetine(FLU)was investigated in water,mainly including the determination of photolytic transition states and products,and the mechanisms of indirect photodegradation with·OH,CO_(3)^(*-)and NO_(3)^(*).The main direct photolysis pathways are defluorination and C–C bond *** addition,the indirect photodegradation of FLU in water is mainly through the reactions with·OH and NO_(3)^(*),and the photodegradation reaction with CO_(3)^(*-)is relatively difficult to occur in the water *** results provide a theoretical basis for understanding the phototransformation process of FLU in the water environment and assessing its potential risk.

关键词： Fluoxetine Photochemical mechanism Direct photolysis Free radical reaction DFT

Pd-Catalyzed Dienylation of Propargylic Esters Enabling Highly Stereoselective Synthesis of Danishefsky-Type Trisubstituted Dienes

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Chinese Journal of Chemistry 2024年第17期42卷 1993-1998页

作者： Chen Zhou Mengfu Dai Xiaoyu Yin Mingyue Zhang Weijin Gu Liang-An Chen Jiangsu collaborative innovation center of Biomedical Functional Materials Jiangsu Key Laboratory of New Power BatteriesSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjingJiangsu 210023China

The stereochemical synthesis of highly substituted Danishefsky-type dienes remains unsolved in organic *** describe a simple and efficient approach for the stereoselective synthesis of Danishefsky-type trisubstituted dienes from readily available propargylic esters via Pd-catalyzed dienylation reaction through the key intermediate metallacyclobutene in a regio-,chemo-and stereoselective *** method facilitates a broad range of challenging trisubstituted dienes with a high level of stereocontrol.

关键词： Propargylic ester Dienylation Diene Stereoselectivity Cycloaddition Palladium β-H elimination Regioselectivity

Squeezing-enhanced resolution of radio-frequency signals

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Chinese Optics Letters 2024年第7期22卷 100-104页

作者： Wei Li Mingjian Ju Qinghui Li Ruixin Li Wenxiu Yao Yimiao Wu Yajun Wang Long Tian Shaoping Shi Yaohui Zheng State Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Opto-ElectronicsShanxi UniversityTaiyuan 030006China collaborative innovation center of Extreme Optics Shanxi UniversityTaiyuan 030006China

We demonstrate a resolution enhancement scheme of radio-frequency signals by tailoring a phase-squeezed *** echo radio-frequency signals collected by photonic radar give rise to displacements in the phase quadrature of a probe laser and are estimated by the balanced homodyne *** contrast to the conventional coherent state,the noise variances for radio-frequency estimation with a squeezed state are reduced by approximately 6.9 *** to the Rayleigh criterion that defines the resolution limit,the minimum resolvable displacement Δa with a squeezed state is reduced to 45%compared to that with a coherent state,demonstrating the quantum *** squeezing-enhanced technique has extensive applications for multitarget recognition and tracking in contemporary photonic radar systems.

关键词： phase-squeezed state radio-frequency signal resolution

Azocalixarenes: a scaffold of universal excipients with high efficiency

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Science China Chemistry 2024年第5期67卷 1697-1706页

作者： Yu-Xin Yue Yi-Lin Lin Meng-Meng Chen Han-Wen Tian Rong Ma Ze-Han Wang Fang-Yuan Chen Yu-Chen Pan 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

Excipients are important components of pharmaceutical preparations that affect their quality, safety, and efficacy. Macrocyclic receptors are a family of supramolecular excipients with several advantages, including molecular-level protection, small sizes,fast kinetics of host-guest recognition, and modular construction. With the continuous advances in the medical field, personalized and precision medicine requires the development of excipients with low dosages, integrated modifying effects, universality,and controlled release. To meet these requirements, we have developed a new family of macrocyclic excipients based on calixarenes by integrating their covalent(broad chemical design space) and noncovalent(wide range of substrates) ***, azocalixarenes(Azo CAs) were designed, showing high binding affinities to a broad spectrum of active pharmaceutical ingredients(APIs), selectivity to interferents, and responsiveness to hypoxic microenvironments. Due to their highly efficient and controllable recognition, Azo CAs serve as low-dose excipients for 30 APIs. Molecular encapsulation by Azo CAs results in the integrated modification of the physicochemical properties of APIs, including solubility, stability, bioavailability,and biocompatibility. Moreover, Azo CAs can be reduced by azoreductases overexpressed in hypoxic microenvironments,leading to the controlled release of APIs. Collectively, Azo CA excipients have broad application prospects for a series of diseases such as enteritis, arthritis, stroke, cancer, bacterial infection and kidney injury, with diverse therapeutic modalities,including chemotherapy, photodynamic therapy, photothermal therapy, immunotherapy, boron neutron capture therapy, radiotherapy, fluorescence imaging, and their combinations.

关键词： supramolecular chemistry host-guest systems excipient calixarene molecular recognition

Magneto-optic Kerr Effect Measurement of TbMn_(6)Sn_(6) at mK Temperature

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Chinese Physics Letters 2024年第4期41卷 159-163页

作者：黄代强汪洋王贺王健刘阳 International center for Quantum Materials Peking UniversityBeijing 100871China Department of Physics Capital Normal UniversityBeijing 100048China collaborative innovation center of Quantum Matter Beijing 100871China Hefei National Laboratory Hefei 230088China

Novel electron states stabilized by Coulomb interactions attract tremendous interests in condensed matter *** states are studied by corresponding phase transitions occurring at extreme conditions such as mK temperatures and high magnetic *** this work,we introduce a magneto-optical Kerr effect measurement system to comprehensively explore these phases in addition to conventional transport *** system,composed of an all-fiber zero-loop Sagnac interferometer and in situ piezo-scanner inside a dilution refrigerator,operates below 100 m K,with a maximum field of 12 Tesla and has a resolution as small as 0.2μ*** a demonstration,we investigate TbMn_(6)Sn_(6),where the manganese atoms form Kagome lattice that hosts topological non-trivial Dirac *** observed two types of Kerr signals,stemming from its fully polarized ferromagnetic ground state and positive charged carriers within the Dirac-like dispersion.

关键词： interferometer scanner system

Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer

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Chinese Physics B 2024年第2期33卷 512-521页

作者：徐耀黄舒伟丁泓铭马余强 National Laboratory of Solid State Microstructures and Department of Physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China center for Soft Condensed Matter Physics and Interdisciplinary Research School of Physical Science and TechnologySoochow UniversitySuzhou 215006China

Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and ***,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains *** this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid *** findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head ***,ssRNA exhibited stronger binding energy than ***,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from ***,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers.

关键词： RNA DNA lipid bilayer molecular dynamics interface interaction divalent cation

The cytosolic isoform of triosephosphate isomerase,ZmTPI4,is required for kernel development and starch synthesis in maize(Zea mays L.)

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The Crop Journal 2024年第2期12卷 401-410页

作者： Wenyu Li Han Wang Qiuyue Xu Long Zhang Yan Wang Yongbiao Yu Xiangkun Guo Zhiwei Zhang Yongbin Dong Yuling Li State Key Laboratory of Wheat and Maize Crop Science Collaborative Innovation Center of Henan Grain CropsCollege of AgronomyHenan Agricultural UniversityLongzi Lake CampusZhengzhou 450046HenanChina

Triosephosphate isomerase(TPI)is an enzyme that functions in plant energy production,accumulation,and *** understand its function in maize,we characterized a maize TPI mutant,*** comparison to the wild type,zmtpi4 mutants showed altered ear development,reduced kernel weight and starch content,modified starch granule morphology,and altered amylose and amylopectin ***,ATP,and pyruvate contents were reduced,indicating ZmTPI4 was involved in *** subcellular localization confirmed ZmTPI4 as a cytosolic rather than a plastid isoform of TPI,the zmtpi4 mutant showed reduced leaf size and chlorophyll *** of ZmTPI4 in Arabidopsis led to enlarged leaves and increased seed weight,suggesting a positive regulatory role of ZmTPI4 in kernel weight and starch *** conclude that ZmTPI4 functions in maize kernel development,starch synthesis,glycolysis,and photosynthesis.

关键词： Maize Kernel Starch Weight Photosynthesis

Selectively nucleotide-derived RuP on N,P-codoped carbon with engineered mesopores for energy-efficient hydrogen production assisted by hydrazine oxidation

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SusMat 2024年第1期4卷 166-177页

作者： Xiya Guan Yu Sun Simeng Zhao Haibo Li Suyuan Zeng Qingxia Yao Rui Li Hongyan Chen Konggang Qu School of Chemistry and Chemical Engineering Shandong Provincial Key Laboratory/Collaborative Innovation Center of Chemical Energy Storage&Novel Cell TechnologyLiaocheng UniversityLiaochengChina

Integrating hydrogen evolution reaction(HER)with hydrazine oxidation reaction(HzOR)has an encouraging prospect for the energy-saving hydrogen production,demanding the high-performance bifunctional HER/HzOR *** phosphide/doped carbon composites have exhibited superior activity towardmultiple electrocatalytic *** explore the decent water-soluble precursors containing bothNand P elements is highly attractive to facilely prepare metal phosphide/doped carbon ***,as one kind ecofriendly biomolecules,adenine nucleotide was first employed to selectively fabricate the highly pure RuP nanoparticles embedded into porous N,P-codoped carbons(RuP/PNPC)with a straightforward“mix-and-pyrolyze”*** newly prepared RuP/PNPC only requires 4.0 and−83.0 mV at 10 mA/cm^(2) separately in alkaline HER and HzOR,outperforming most of reported electrocatalysts,together with the outstanding neutral bifunctional ***,the two-electrode alkaline and neutral overall hydrazine splitting both exhibit significant power-efficiency superiority to the corresponding overall water splitting with the voltage difference of larger than 2 V,which can be also easily driven by the fuel cells and solar cells with considerableH2 *** report innovates the N-and P-bearing adenine nucleotide to effortlessly synthesize the high-quality RuP/doped carbon composite catalysts,highly potential as a universal platform for metal phosphide-related functional materials.

关键词： bifunctional electrocatalyst hydrazine oxidation hydrogen energy hydrogen evolution RuP

Development of the second version of Global Prediction System for Epidemiological Pandemic

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Fundamental Research 2024年第3期4卷 516-526页

作者： Jianping Huang Li Zhang Bin Chen Xiaoyue Liu Wei Yan Yingjie Zhao Siyu Chen Xinbo Lian Chuwei Liu Rui Wang Shuoyuan Gao Danfeng Wang collaborative innovation center for Western Ecological Safety Lanzhou UniversityLanzhou 730000China College of Atmospheric Sciences Lanzhou UniversityLanzhou 730000China

Coronavirus disease 2019(COvID-19)is a severe global public health emergency that has caused a major cri-sis in the safety of human life,health,global economy,and social ***,CovID-19 poses significant challenges to healthcare systems *** prediction and early warning of infectious diseases on a global scale are the premise and basis for countries to jointly fight ***,because of the complexity of epidemics,predicting infectious diseases on a global scale faces significant *** this study,we developed the second version of Global Prediction System for Epidemiological Pandemic(GPEP-2),which combines statis-tical methods with a modified epidemiological *** GPEP-2 introduces various parameterization schemes for both impacts of natural factors(seasonal variations in weather and environmental impacts)and human so-cial behaviors(government control and isolation,personnel gathered,indoor propagation,virus mutation,and vaccination).The GPEP-2 successfully predicted the COVID-19 pandemic in over 180 countries with an average accuracy rate of 82.7%.It also provided prediction and decision-making bases for several regional-scale CovID-19 pandemic outbreaks in China,with an average accuracy rate of 89.3%.Results showed that both anthropogenic and natural factors can affect virus spread and control measures in the early stages of an epidemic can effectively control the *** predicted results could serve as a reference for public health planning and policymaking.

关键词： COVID-19 Epidemiological model Prediction GPEP SEIR Statistical-dynamic

High-resolution short-term prediction of the COVID-19 epidemic based on spatial-temporal model modified by historical meteorological data

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Fundamental Research 2024年第3期4卷 527-539页

作者： Bin Chen Ruming Chen Lin Zhao Yuxiang Ren Li Zhang Yingjie Zhao Xinbo Lian Wei Yan Shuoyuan Gao College of Atmospheric Sciences Lanzhou UniversityLanzhou 730000China collaborative innovation center of Western Ecological Security Lanzhou UniversityLanzhou 730000China

In the global challenge of Coronavirus disease 2019(COVID-19)pandemic,accurate prediction of daily new cases is crucial for epidemic prevention and socioeconomic *** contrast to traditional local,one-dimensional time-series data-based infection models,the study introduces an innovative approach by formulating the short-term prediction problem of new cases in a region as multidimensional,gridded time series for both input and prediction targets.A spatial-temporal depth prediction model for COVID-19(ConvLSTM)is presented,and further ConvLSTM by integrating historical meteorological factors(Meteor-ConvLSTM)is refined,considering the influence of meteorological factors on the propagation of *** correlation between 10 meteorological factors and the dynamic progression of COVID-19 was evaluated,employing spatial analysis techniques(spatial autocorrelation analysis,trend surface analysis,etc.)to describe the spatial and temporal characteristics of the *** the original ConvLSTM,an artificial neural network layer is introduced to learn how meteorological factors impact the infection spread,providing a 5-day forecast at a 0.01°×0.01°pixel *** results using real dataset from the 3.15 outbreak in Shanghai demonstrate the efficacy of Meteor-ConvLSTM,with reduced RMSE of 0.110 and increased R^(2) of 0.125(original ConvLSTM:RMSE=0.702,R^(2)=0.567;Meteor-ConvLSTM:RMSE=0.592,R^(2)=0.692),showcasing its utility for investigating the epidemiological characteristics,transmission dynamics,and epidemic development.

关键词： COVID-19 Prediction ConvLSTM Refined prediction Meteorological factors Spatial-temporal analysis