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Experimental and Computational Analysis of the Solution and Solid-State Conformations of Hexadepsipeptides from Beauveria felina

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Chinese Journal of Chemistry 2022年第3期40卷 378-384页

作者： Feng-Yu Du Attila Mandi Xiao-Ming Li ling-hong meng Tibor Kurtan Bin-Gui Wang CAS&Shandong Province Key Laboratory of Experimental Marine Biology Institute of OceanologyChinese Academy of Sciencesand Laboratory of Marine Biology and BiotechnologyQingdao National Laboratory for Marine Science and TechnologyNonhoi Rood 7QingdaoShandong 266071China College of Chemistry and Pharmacy Qingdao Agricultural UniversityQingdooShandong 266109China Department of Organic Chemistry University of DebrecenPOB 4004002 DebrecenHungary College of Marine Science University of Chinese Academy of SciencesYuquon Rood 19ABeijing 100049China Center for Ocean Mego-Science Chinese Academy of SciencesNonhoi Road 7t QingdaoShandong 266071China

Chemical investigation of Beouverio felina,a marine-derived entomopathogenic fungus,obtained two new destruxin hexadepsipeptides(1 and 2)containing an/.-Ala^(5)residue instead of the usual A/-Me-L-Ala^(5).Interestingly,the presence of the/.-Ala^(5)residue enabled two slowly-exchanging solution conformers with cis/trons(ILE^(3))-(A/-Me-Val^(4))amide bond for 1 and 2 with 1.5:1 and 1:1 cis/trans ratios,respectively,while only the conformer with c/s amide bond was found in the solid-state.The solution and solid-state conformers were studied by NMR,X-ray diffraction and solution and solid-state ECD measurements,as well as by TDDFT-ECD calculations.Structural(conformational)parameter-activity correlations suggested that the extended destruxin geometry with the preferred c/s(ILE^(3))-(A/-Me-Val^(4))bond probably resulted in improved bioactivity and reduced toxicity for the destruxin class.This was the first report on the interconversion phenomenon of cis/trans amide bonds of destruxin class,which could give insights in the development of bioactive destruxin agents with lower toxicity.

关键词： Beouveria felina Natural products Destruxin hexadepsipeptides Structure elucidation Conformation analysis

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Isolation and characterization of three pairs of verrucosidin epimers from the marine sediment‑derived fungus Penicillium cyclopium and confguration revision of penicyrone A and related analogues

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Marine Life Science & Technology 2023年第2期5卷 223-231页

作者： Yan-He Li Attila Mándi hong-Lei Li Xiao-Ming Li Xin Li ling-hong meng Sui-Qun Yang Xiao-Shan Shi Tibor Kurtán Bin-Gui Wang CAS and Shandong Province Key Laboratory of Experimental Marine Biology Institute of OceanologyChinese Academy of Sciencesand Laboratory of Marine Biology and Biotechnology at the Qingdao National Laboratory for Marine Science and TechnologyQingdao 266071China School of Marine Science University of Chinese Academy of SciencesBeijing 100049China Department of Organic Chemistry University of DebrecenEgyetem Tér 1Debrecen 4032Hungary Center for Ocean Mega-Science Chinese Academy of SciencesQingdao 266071China

Verrucosidins,a methylatedα-pyrone class of polyketides rarely reported upon,have been implicated in one or more neurological diseases.Despite the signifcance of verrucosidins as neurotoxins,the absolute confgurations of most of the derivatives have not been accurately characterized yet.In this study,three pairs of C-9 epimeric verrucosidin derivatives,including the known compounds penicyrones A and B(1a/1b)and 9-O-methylpenicyrones A and B(2a/2b),the new compounds 9-O-ethylpenicyrones A and B(3a/3b),together with the related known derivative verrucosidin(4),were isolated and identifed from the culture extract of Penicillium cyclopium SD-413,which was obtained from the marine sediment collected from the East China sea.Their structures were established based on an in-depth analysis of nuclear magnetic resonances(NMR)and mass spectroscopic data.Determination of the absolute confgurations of these compounds was accomplished by Mosher’s method and time-dependent density functional theory(TDDFT)calculations of electronic circular dichroism(ECD)and optical rotation(OR).The confgurational assignment of penicyrone A demonstrated that the previously reported C-6 absolute confguration of verrucosidin derivatives needs to be revised from(6S)to(6R).The 9R/9S epimers of compounds 1–3 were found to exhibit growth inhibition against some pathogenic bacteria,indicating that they have potential as lead compounds for the creation of antimicrobial agents.

关键词： Marine-derived fungus Penicillium cyclopium Verrucosidin derivatives TDDFT-ECD calculations Mosher’s method Antimicrobial activity

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Polyoxygenated dihydropyrano[2,3-c]pyrrole-4,5-dione derivatives from the marine mangrove-derived endophytic fungus Penicillium brocae MA-231 and their antimicrobial activity

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Chinese Chemical Letters 2015年第5期26卷 610-612页

作者： ling-hong meng Xiao-Ming Li Yang Liu Bin-Gui Wang Key Laboratory of Experimental Marine Biology Institute of OceanologyChinese Academy of Sciences University of the Chinese Academy of Sciences

A new polyoxygenated dihydropyrano[2,3-c]pyrrole-4,5-dione derivative, pyranonigrin F （1）, together with a related known compound, pyranonigrin A （2）, were isolated and identified from Penicillium brocae MA-231, an endophytic fungus obtained from the fresh tissue of the marine mangrove plant Avicennia marina. The structures of these metabolites were determined based on comprehensive spectral interpretation and the absolute configuration of compound 1 was established by X-ray crystallographic analysis. Compounds 1 and 2 showed potent activity against a broad spectrum of human-, aqua-, and plant-pathogens.

关键词： Mangrove-derived fungus PeniciUium brocae Secondary metabolites Pyranonigrin F Antibacterial activity

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Numerical study on the effective thermal conductivity and thermal tortuosity of porous media with different morphologies

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Science China(Technological Sciences) 2024年第6期67卷 1685-1694页

作者： DU Shen LI Dong LI meng-Jie HE Ya-ling Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of Education School of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an710049China

Effective thermal conductivity and thermal tortuosity are crucial parameters for evaluating the effectiveness of heat conduction within porous media.The direct pore-scale numerical simulation method is applied to investigate the heat conduction processes inside porous structures with different morphologies.The thermal conduction performances of idealized porous structures are directly compared with real foams across a wide range of porosity.Real foam structures are reconstructed using X-ray computed tomography and image processing techniques,while Kelvin and Weaire-Phelan structures are generated through periodic unit cell reconstruction.The detailed temperature fields inside the porous structures are determined by solving the heat conduction equation at the pore scale.The results present that the equivalent thermal conductivity of Kelvin and Weaire-Phelan structures is similar to and greater than that of the real foam structure with the same strut porosity.The thermal tortuosity of real foam structure is relatively larger and the heat conduction path becomes straighter by adopting the anisotropic design.The thermal tortuosity of the fluid channels for Kelvin,Weaire-Phelan,and real foam structures is close to one.The thermal conductivity of porous structures with heat transfer fluid increases as the thermal conductivity ratio of fluid to solid becomes larger.A small porosity of porous media leads to a larger equivalent thermal conductivity due to the dominant contribution of porous skeleton in the heat conduction process.Correlations derived from parallel and series models,as well as the Maxwell-Eucken models,provide decent predictions of effective thermal conductivity,with an average error of less than 8%in the entire range of thermal conductivity ratio.

关键词： volumetric solar receiver porous morphology direct pore-scale simulation equivalent thermal conductivity thermal tortuosity empirical correlation

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A survey of decision making in adversarial games

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Science China(Information Sciences) 2024年第4期67卷 85-112页

作者： Xiuxian LI Min meng Yiguang hong Jie CHEN College of Electronics and Information Engineering Tongji University Shanghai Research Institute for Intelligent Autonomous Systems

In many practical applications, such as poker, chess, drug interdiction, cybersecurity, and national defense, players often have adversarial stances, i.e., the selfish actions of each player inevitably or intentionally inflict loss or wreak havoc on other players. Therefore, adversarial games are important in realworld applications. However, only special adversarial games, such as Bayesian games, are reviewed in the literature. In this respect, this study aims to provide a systematic survey of three main game models widely employed in adversarial games, i.e., zero-sum normal-form and extensive-form games, Stackelberg(security) games, and zero-sum differential games, from an array of perspectives, including basic knowledge of game models,(approximate) equilibrium concepts, problem classifications, research frontiers,(approximate) optimal strategy-seeking techniques, prevailing algorithms, and practical applications. Finally, promising future research directions are also discussed for relevant adversarial games.

关键词： adversarial games zero-sum games Stackelberg games differential games Nash equilibrium correlated equilibrium regret

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Improving photochemical indicators for attributing ozone sensitivities in source apportionment analysis

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Journal of Environmental Sciences 2024年第9期143卷 235-246页

作者： Xiaohui Du Wei Tang Zhongzhi Zhang Yang Yu Yang Li ling Huang Greg Yarwood Fan meng Atmospheric Environment Institute Chinese Research Academy of Environmental SciencesBeijing 100012China College of Water Sciences Beijing Normal UniversityBeijing 100857China Asia Center for Air Pollution Research United Nations Environment Programme Asia and the Pacific OfficeNishi-kuNiigata-shi 9502144Japan School of Environmental and Chemical Engineering Shanghai UniversityShanghai 200444China Ramboll NovatoCalifornia 94945USA

Comprehensive Air Quality Model with extensions(CAMx)-Decoupled Direct Method(DDM)simulations of first-order ozone(O_(3))sensitivity to nitrogen oxides(NO_(x))and volatile organic compounds(VOCs)emissions were performed and combined with modelled P_(H_(2)O_(2))/P_(HNO_(3))ratios to obtain a range of thresholds for determining O_(3)-sensitivity regimes for different areas of China.Utilising the new threshold ranges for photochemical indicators,the method for determining O_(3)formation in the Ozone Source Apportionment Technology(OSAT)module within CAMx was improved by a dynamically varied threshold of P_(H_(2)O_(2))/P_(HNO_(3))ratio.The O_(3)concentration contributions in the newly added transition regime were apportioned to NO_(x)and VOCs emissions in proportion to the relationship between the P_(H_(2)O_(2))/P_(HNO_(3))ratio and first-order O_(3)sensitivity.The source contributions of O_(3)concentrations from different emission sectors from June to September 2019 were compared using the original and improved CAMx-OSAT.The results showed that the O_(3)concentration contributions changed significantly in the NO_(x)-limited regime,with a maximum decrease of 21.89%,while the contributions increased by up to 7.57%in the VOC-limited regime,and were within 15μg/m^(3)in the transition regime.The modified OSAT module enabled a more sophisticated attribution of O_(3)to precursor emissions and may have far-reaching implications for informing O_(3)pollution control policy.

关键词： O_(3) modeling O_(3)-sensitivity regimes Ozone source apportionment technology Photochemical indicators

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Physiotherapy for patients with depression:Recent research progress

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World Journal of Psychiatry 2024年第5期14卷 635-643页

作者： Hui-ling Liu Jing Sun Shi-Feng meng Ning Sun Department of Mental Health First Clinical Medical College of Shanxi Medical UniversityTaiyuan 030000Shanxi ProvinceChina Department of Rehabilitation First Hospital of Shanxi Medical UniversityTaiyuan 030000Shanxi ProvinceChina Department of Mental Health First Hospital of Shanxi Medical UniversityTaiyuan 030000Shanxi ProvinceChina

Depression,a common mental illness,seriously affects the health of individuals and has deleterious effects on society.The prevention and treatment of depression has drawn the attention of many researchers and has become an important social issue.The treatment strategies for depression include drugs,psychotherapy,and physiotherapy.Drug therapy is ineffective in some patients and psychotherapy has treatment limitations.As a reliable adjuvant therapy,physiotherapy compensates for the shortcomings of drug and psychotherapy and effectively reduces the disease recurrence rate.Physiotherapy is more scientific and rigorous,its methods are diverse,and to a certain extent,provides more choices for the treatment of depression.Physiotherapy can relieve symptoms in many ways,such as by improving the levels of neurobiochemical molecules,inhibiting the inflammatory response,regulating the neuroendocrine system,and increasing neuroplasticity.Physiotherapy has biological effects similar to those of antidepressants and may produce a superimposed impact when combined with other treatments.This article summarizes the findings on the use of physiotherapy to treat patients with depression over the past five years.It also discusses several methods of physiotherapy for treating depression from the aspects of clinical effect,mechanism of action,and disadvantages,thereby serving as a reference for the in-depth development of physiotherapy research.

关键词： Depression Physiotherapy Non-pharmacological Rehabilitation therapy Recent advances

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Qualitative exploration of home life experiences and care needs among elderly patients with temporary intestinal stomas

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World Journal of Gastroenterology 2024年第22期30卷 2893-2901页

作者： Si-meng Wang Jian-ling Jiang Rui Li Juan-Juan Wang Chun-hong Gu Jia Zeng Xiao-Hui Wei Mei Chen Wuxi Medical College of Jiangnan University Jiangnan UniversityWuxi 214122Jiangsu ProvinceChina Department of Gastrointestinal Surgery Tongren Hospital Shanghai Jiao Tong University School of MedicineShanghai 200335China Department of Nursing Tong Ren Hospital Shanghai Jiao Tong University School of MedicineShanghai 200335China

BACKGROUND This study employed a phenomenological research approach within qualitative research to explore the challenges encountered by elderly individuals with temporary colostomies in managing their daily lives and care needs.Protecting the anus surgery combined with temporary colostomy has emerged as a prevalent treatment modality for low rectal cancer.However,the ileostomy is susceptible to peri-stoma skin complications,as well as fluid,electrolyte,and nutritional imbalances,posing challenges to effective management.The successful selfmanagement of patients is intricately linked to their adjustment to temporary colostomy;nonetheless,there remains a dearth of research examining the factors influencing self-care among temporary colostomy patients and the obstacles they confront.AIM To investigate the lived experiences,perceptions,and care requirements of temporary colostomy patients within their home environment,with the ultimate goal of formulating a standardized management protocol.METHODS Over the period of June to August 2023,a purposive sampling technique was utilized to select 12 patients with temporary intestinal stomas from a tertiary hospital in Shanghai,China.Employing a phenomenological research approach,a semi-structured interview guide was developed,and qualitative interviews were conducted using in-depth interview techniques.The acquired data underwent coding,analysis,organization,and summarization following Colaizzi’s seven-step method.RESULTS The findings of this study revealed that the experiences and needs of patients with temporary intestinal stomas can be delineated into four principal themes:Firstly,Temporary colostomy patients bear various burdens and concerns about the uncertainty of disease progression;secondly,patients exhibit limited self-care capabilities and face information deficits,resulting in heightened reliance on healthcare professionals;thirdly,patients demonstrate the potential for internal motivation through proactive self-adjustment;and finally,patients express a significa

关键词： Elderly Temporary intestinal stomas Life experiences Intestinal ostomy complications Qualitative study

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(Lu_(1/7)Yb_(1/7)Sc_(1/7)Er_(1/7)Y_(1/7)Ho_(1/7)Dy_(1/7))_(2)Si_(2)O_(7)high entropy rare-earth disilicate with low thermal conductivity and excellent resistance to CMAS corrosion

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Journal of Advanced Ceramics 2024年第5期13卷 549-560页

作者： Xu Wang Mingyu meng Feihan Xu ling Liu Lihong Gao Shizhen Zhu Zhuang Ma School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China National Key Laboratory of Science and Technology on Materials under Shock and Impact Beijing 100081China Tangshan Research Institute Beijing Institute of TechnologyTangshan 063000China

Low thermal conductivity,compatible thermal expansion coefficient,and good calcium–magnesium–aluminosilicate(CMAS)corrosion resistance are critical requirements for environmental barrier coatings used on silicon-based ceramics.RE2Si2O7(RE=rare earth)has been widely recognized as one of the most promising candidates for environmental barrier coatings due to its good water vapor corrosion resistance.However,the relatively high thermal conductivity and poor resistance to CMAS corrosion have limited its practical application.Inspired by the high entropy effect,in this work,a novel rare earth disilicate(Lu_(_(1/7))Yb_(_(1/7))Sc_(_(1/7))Er_(_(1/7))Y_(_(1/7))Ho_(_(1/7))Dy_(_(1/7)))2Si2O7((7RE_(_(1/7)))2Si2O7)has been designed and synthesized by a solid reaction process.(7RE_(_(1/7)))2Si2O7 showed a low thermal conductivity of 1.81 W·m^(−1)·K^(−1)at 1273 K.Furthermore,the thermal expansion coefficient of(7RE_(_(1/7)))_(2)Si_(2)O_(7)(4.07×10^(−6)℃^(−1)from room temperature(RT)to 1400℃)is close to that of the SiC-based ceramic matrix composites(SiC-CMCs)((4.5–5.5)×10^(−6)℃^(−1)).Additionally,(7RE_(_(1/7)))2Si2O7 exhibited excellent resistance to CMAS corrosion.When exposed to CMAS at 1300℃for 48 h,the reaction layer thickness was 22μm.The improved performance of(7RE_(_(1/7)))2Si2O7 highlights its potential as a promising candidate for thermal/environmental barrier coatings.

关键词： high entropy disilicate (Lu_(1/7)Yb_(1/7)Sc_(1/7)Er_(1/7)Y_(1/7)Ho_(1/7)Dy_(1/7))_(2)Si_(2)O_(7)((7RE_(1/7))_(2)Si_(2)O_(7)) high-temperature thermal properties calcium-magnesium-aluminosilicate(CMAS)corrosion

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Spin effect on redox acceleration and regioselectivity in Fe-catalyzed alkyne hydrosilylation

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National Science Review 2024年第2期11卷 155-167页

作者： Peng He meng-Yang Hu Jin-hong Li Tian-Zhang Qiao Yi-Lin Lu Shou-Fei Zhu Frontiers Science Center for New Organic Matter State Key Laboratory and Institute of Elemento-Organic Chemistry Nankai University

Iron catalysts are ideal transition metal catalysts because of the Earths abundant, cheap, biocompatible features of iron salts. Iron catalysts often have unique open-shell structures that easily undergo spin crossover in chemical transformations, a feature rarely found in noble metal catalysts. Unfortunately, little is known currently about how the open-shell structure and spin crossover affect the reactivity and selectivity of iron catalysts, which makes the development of iron catalysts a low efficient trial-and-error program. In this paper, a combination of experiments and theoretical calculations revealed that the iron-catalyzed hydrosilylation of alkynes is typical spin-crossover catalysis. Deep insight into the electronic structures of a set of well-defined open-shell active formal Fe(0) catalysts revealed that the spin-delocalization between the iron center and the 1,10-phenanthroline ligand effectively regulates the iron center's spin and oxidation state to meet the opposite electrostatic requirements of oxidative addition and reductive elimination, respectively,and the spin crossover is essential for this electron transfer process. The triplet transition state was essential for achieving high regioselectivity through tuning the nonbonding interactions. These findings provide an important reference for understanding the effect of catalyst spin state on reaction. It is inspiring for the development of iron catalysts and other Earth-abundant metal catalysts, especially from the point of view of ligand development.

关键词： spin effect spin-delocalization spin crossover iron-catalysis alkyne hydrosilylation

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