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Highly Aromatic Norditerpenoid Heterodimers and Monomers from Trigonostemon fragilis

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Engineering 2024年第7期38卷 144-154页

作者： jun-Su Zhou Long Cheng Yuan Gao zhan-peng Ge Bin Zhou Jing-Ya Li Jin-Xin Zhao Jian-Min Yue State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Shandong Laboratory of Yantai Drug Discovery Bohai Rim Advanced Research Institute for Drug DiscoveryYantai 264117China

Four new norditerpenoid heterodimers with different dimerization patterns-namely,trigofragiloids A-C(denoted as compounds 1-3)and(+)-and(-)-trigofragiloid D(compound 4)-and three new phenanthrenone norditerpenoids-namely,trigofragiloids E-G(compounds 5-7)-were isolated from Trigonostemon *** 1 and 2 feature a novel heterodimeric carbon skeleton formed by the conjugation of a tetra-norditerpenoid and an ennea-norditerpenoid;they have been identified as class 2 atropisomers by means of quantum chemical *** 3 is an unprecedented phenylpropanoid-norditerpenoid adduct with a new dimerization ***(+)-and(-)-4 are the first example of S-shaped 1,4-dioxane-fused norditerpenoid *** by the structure elucidation of compound 4,two co-occurring analogues,actephilol A and epiactephilol A,were structurally revised as a pair of geometrical isomers and were identified as two pairs of enantiomers,(+)-and(-)-8 and(+)-and(-)-9,*** structures were characterized using a combined ***,compound 7 exhibits remarkable adenosine triphosphate-citrate lyase(ACLY)inhibition with a halfmaximal inhibition concentration(IC50)value of(0.46±0.11)lmol·L^(-1),as active as the positive control BMS-303141,and a molecular docking study offers deep insight into the interaction between compound 7 and ACLY.

关键词： Norditerpenoid heterodimer Trigonostemon fragilis Euphorbiaceae Trigofragiloid Structural revision Adenosine triphosphate-citrate lyase(ACLY) inhibitory activity

Hole cleaning evaluation and installation spacing optimization of cuttings bed remover in extended-reach drilling

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Petroleum Science 2024年第3期21卷 2005-2022页

作者： Shuo peng Wen-jun Huang De-Li Gao MOE Key Laboratory of Petroleum Engineering China University of Petroleum-BeijingBeijing102249China State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum-BeijingBeijing102249China

In extended-reach or long-horizontal drilling,cuttings usually deposit at the bottom of the *** cuttings accumulate to a certain thickness,complex problems such as excessive torque and drag,tubing buckling,and pipe stuck probably occur,which results in a lot of non-productive time and remedial *** bed remover can efficiently destroy deposited cuttings in time through hydraulic and mechanical stirring *** paper aims to build a method for hole cleaning evaluation and installation spacing optimization of cuttings bed remover to improve the wellbore cleaning ***,a Computational Fluid Dynamics approach with Eulerian—Eulerian multiphase model was utilized to investigate the mechanism of cuttings transportation,and a new type of cuttings bed remover was ***,an evaluation method of hole cleaning effect of remover was *** that,the effects of several drilling parameters on hole cleaning including flow rate of drilling fluid,rotational speed of drillpipe,rate of penetration,wellbore size,rheological property of drilling fluid,and remover eccentricity on the performance of cuttings bed remover were *** results demonstrate that the new type of remover with streamline blade performs better than conventional *** efficiency of hole cleaning is greatly improved by increasing the rotational speed of drillpipe,flow rate of drilling fluid,remover eccentricity,and 6 rpm Fann dial reading for drilling *** higher rate of penetration and large wellbore size result in worse hole *** findings can serve as an important guide for the structure optimization design of cuttings bed remover and installation spacing of removers.

关键词： Extended-reach drlling Drilling hydraulics Cuttings transport Hole cleaning Cuttings bed remover

jun12682, a potent SARS-CoV-2 papain-like protease inhibitor with exceptional antiviral efficacy in mice

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ACTA PHARMACEUTICA SINICA B 2024年第9期14卷 4189-4192页

作者： Yang, Mianling Kim, Meehyein zhan, peng Shandong Univ Sch Pharmaceut Sci Dept Med Chem Key Lab Chem BiolMinist Educ Jinan 250012 Peoples R China Korea Res Inst Chem Technol KRICT Infect Dis Therapeut Res Ctr Daejeon 34114 South Korea

Recently,a collaborative research study published in Science,led by jun Wang,Xufang Deng,Eddy Arnold,and Francesc Xavier Ruiz1,identified a series of potent small molecule inhibitors that specifically target SARS-CoV-2 papain-like protease(PLpro).The study demonstrated nanomolar PLpro inhibitory potency with Ki values ranging from 13.2 to 88.2 nmol/*** employing a structure-based drug design strategy,the researchers discovered an exceptionally promising compound,named jun12682,that effectively targets both the newly discovered ubiquitin Val70(Val70Ub)-binding site and the known blocking loop(BL2)groove near the S4 subsite of ***,studies on the mechanism of action revealed that jun12682 inhibits the deubiquitinating and deISGylating activities of PLpro,which are crucial for antagonizing the host’s innate immune response upon viral *** biology studies confirmed the“two-pronged”binding mode of jun12682,aligning perfectly with their drug design ***,jun12682 exhibited potent antiviral activity against SARS-CoV-2 and its variants,including nirmatrelvir-resistant mutants,in Caco-2 cells(EC50:0.44e2.02 mmol/L).It is noteworthy that its oral administration significantly improved survival rates and alleviated both lung virus loads and histopathological lesions in a lethal SARS-CoV-2 mouse *** conclusion。

关键词： SARS-CoV-2 Papain-like protease Broad-spectrum Anti-drug resistance Drug candidate

Effects of the Resident Basic Medical Insurance Reform on Household Consumption in China

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China & World Economy 2024年第1期32卷 96-129页

作者： Shuheng Yu Xinxin Ma peng zhan School of Public Affairs Institute for Common Prosperity and DevelopmentZhejiang UniversityChina Faculty of Economics Hosei UniversityJapan

This paper investigates the causal relationship between the Urban and Rural Resident Basic Medical Insurance(URRBMI)reform and household consumption in urban China using data from the Chinese Household Income Project survey and employing combination of the propensity score matching and difference-in-differences *** results yield three ***,the reform affected both the amount and share of household ***,the reform led to an increase in total household consumption,encompassing both medical and nonmedical *** these,the proportion of medical consumption increased,while the proportion of nonmedical consumption ***,the impact of the URRBMI reform varied across consumption categories within nonmedical ***,consumption for education and entertainment industries are positively impacted by the URRBMI reform in terms of both quantity and ***,low-income households benefit more from the URRBMI reform compared to middle-and high-income *** main channels through which the URRBMI reform affects household consumption were the price effect and the crowding out effect on precautionary savings.

关键词： household consumption nonmedical consumption out-of-pocket expenses reimbursement ratio

Fabrication of Molecularly Imprinted Electrospun Nanofibers with Mono-amidoxime Functional Ligand for Efficient Decontamination of Toxic Organophosphates

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Chinese Journal of Polymer Science 2024年第4期42卷 446-456页

作者： Lan Wang peng Jiang Ya-Lin Niu jun-peng Cao Tian-Ying Guo Key Laboratory of Functional Polymer Materials Ministry of EducationInstitute of Polymer ChemistryCollege of Chemistry and Frontier Science Center for the Creation of New Organic SubstancesNankai UniversityTianjin300071China

There is an urgent imperative to discover practical and efficacious artificial catalysts for the expeditious decontamination of toxic organophosphates. Herein, we propose a novel molecularly imprinted approach utilizing electrospun fiber scaffolds. Specifically, an amidoxime-based functional polymer (PMAOX) has been synthesized, which contains amidoxime groups that can act as nucleophiles and ligands for the formation of catalytic active sites. This polymer was blended with polyacrylonitrile (PAN), a well-processable material, to prepare a nanofiber mat using electrospinning techniques. Then, the amidoxime side groups on fiber surface were further cross-linked after the molecular coordination of templates to complete the molecularly imprinting process. This approach can not only enhance the content of functional molecularly imprinted polymers without affecting structural stability, but also combines surface MI technology to fully expose and leverage the advantages of active sites. The as prepared molecularly imprinted electrospun nanofibers MIF-Zn-PMAOX/PAN-6/4 catalyzes the degradation of paraoxon with a half-life of 32 min, and MIF-Ag-PMAOX/PAN catalyzes the degradation of parathion with a half-life of 18 min. The maximum catalytic rate evidence rate enhancements nearly 3700-fold of the self-hydrolysis. Thus, the mono-amidoxime based molecularly imprinted fibers demonstrate the versatility and superiority as self-detoxifying for organophosphates.

关键词： Organophosphateshydrolysis Electrospinning Molecular imprinting

Existence of Positive Solutions to a Fractional-Kirchhoff System

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Acta Mathematicae Applicatae Sinica 2024年第1期40卷 225-240页

作者： peng-fei Li jun-hui Xie Dan Mu School of Mathematics and Statistics Hubei Minzu UniversityEnshi445000China

LetΩbe a bounded smooth domain in RN(N≥3).Assuming that 00 are constants,we consider the existence results for positive solutions of a class of fractional elliptic system below,{(a+b[u]^(2)_(s))(-Δ)^(s)u=vp+h_(1)(x,u,v,▽u,▽v),x∈Ω,(-Δ)^(s)v=u^(q)+h_(2)(x,u,▽,▽u,▽v),x∈Q,u,v>0,x∈Ω,u=v=0,x∈RN\Ω.Under some assumptions of hi(x,u,v,▽u,▽v)(i=1,2),we get a priori bounds of the positive solutions to the problem(1.1)by the blow-up methods and rescaling *** on these estimates and degree theory,we establish the existence of positive solutions to problem(1.1).

关键词： fractional-Kirchhoff system a priori bounds degree theory positive solution

Catalytically generated noncovalent ammonium dienolate:a versatile platform for the development of organocatalytic asymmetric cascade reactions

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Science China Chemistry 2024年第8期67卷 2524-2546页

作者： jun-Bing Lin Dong-Sheng Ji peng-Fei Xu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000China Shaanxi Key Laboratory of Chemical Reaction Engineering College of Chemistry and Chemical EngineeringYan’an UniversityYan’an 716000China

Organocatalytic cascade reactions represent a powerful strategy for the rapid construction of complex chiral molecules with multiple stereocenters from simple substrates under mild conditions. The intriguing structural feature and diverse reactivity of catalytically generated dienolate species render them competent and versatile intermediates for the development of practical and valuable cascade reactions. Over the past years, a plethora of innovative and pioneering noncovalent ammonium dienolatemediated cascade reactions have been designed and implemented under the catalysis of chiral organocatalysts, making dienolate activation a general, robust, and complementary method for the functionalization of unsaturated carbonyl compounds and related substances. This review illustrates the recent advances in organocatalytic noncovalent ammonium dienolate-mediated cascade reactions(mainly from 2010 to 2023), including the cascade transformations of ammonium dienolates directly generated from unsaturated ketone/aldehyde, ester/lactone/azlactone, amide/lactam/pyrazolone/oxindole, and alkylidene nitrile compounds. The contents are arranged based on the reaction types of the ammonium dienolates, with an emphasis on cascade 2,5-, 3,5-, and 4,5-difunctionalizations of these intermediates. Furthermore, other cascade reactions involving the 1,3-, 2,3-, and even more complex 3,4,5-reactivities of ammonium dienolates were also discussed. The reaction pathway, reaction stereoinduction, and synthetic applications of the ammonium dienolate-mediated cascade reactions were highlighted throughout the article. As a stimulating and ever-growing research area, the organocatalytic noncovalent ammonium dienolate-mediated cascade reactions are expected to continue demonstrating their magic power for constructing chiral targets in the future and further expanding the boundaries of asymmetric catalysis.

关键词： organocatalysis asymmetric catalysis ammonium dienolate cascade reaction difunctionalization

Discovery of GluN2A subtype-selective N-methyl-d-aspartate(NMDA)receptor ligands

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Acta Pharmaceutica Sinica B 2024年第5期14卷 1987-2005页

作者： Liyang Jiang Na Liu Fabao Zhao Boshi Huang Dongwei Kang peng zhan Xinyong Liu Department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China

The N-methyl-d-aspartate(NMDA)receptors,which belong to the ionotropic Glutamate receptors,constitute a family of ligand-gated ion *** the various subtypes of NMDA receptors,the GluN1/2A subtype plays a significant role in central nervous system(CNS)*** present article aims to provide a comprehensive review of ligands targeting GluN2A-containing NMDA receptors,encompassing negative allosteric modulators(NAMs),positive allosteric modulators(PAMs)and competitive ***,the ligands’structure–activity relationships(SARs)and the binding models of representative ligands are also discussed,providing valuable insights for the clinical rational design of effective drugs targeting CNS diseases.

关键词： NMDA receptors GluN2A subtype Subtype-selective ligands SARs Protein ligand interactions

Multiwavelength Observations of the Infrared Dust Bubble N75 and its Surroundings

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Research in Astronomy and Astrophysics 2024年第4期24卷 262-270页

作者： Quan-Ling Cui Chuan-peng zhang jun-Jie Wang National Astronomical Observatories Chinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100049China College of Science Qiqihar UniversityQiqihar 161006China Guizhou Radio Astronomical Observatory Guizhou UniversityGuiyang 550000China

Infrared dust bubbles play an important role in the study of star formation and the evolution of the interstellar *** this work,we study the infrared dust bubble N75 and the infrared dark cloud G38.93 mainly using the tracers C^(18)O,HCO^(+),HNC and N_(2)H^(+)observed by the 30 m IRAM *** also study the targets using data from large-scale surveys:GLIMPSE,MIPSGAL,GRS,NRAO VLA Sky Survey and Bolocam Galactic Plane *** found that the C^(18)O emission is morphologically similar to the Spitzer IRAC 8.0μm ***1.1 mm cold dust emission of G38.93 shows an elongated structure from southwest to *** ionized gas from G38.93 is surrounded by polycyclic aromatic hydrocarbon emission,which may be excited by radiation from *** found that the identified young stellar objects tend to cluster around G38.93 and are mostly in class II with several class I cases distributed around N75,but no class II *** also found evidence of expanding feedback,which could have triggered star formation.

关键词： ISM:bubbles infrared:ISM galaxies:star formation