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NHC-derived carbon-centered luminescent radicals with shortwavelength emission via suppression of Kasha's rule

Science China Chemistry 2024年第8期67卷 2679-2685页

作者： Can Chen Xin Li Xinhua Ouyang Ying-feng han Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Xi’an Key Laboratory of Functional Supramolecular Structure and MaterialsCollege of Chemistry and Materials ScienceNorthwest UniversityXi’an 710127China College of Material Engineering Fujian Agriculture and Forestry University Fuzhou 350108China

Luminescent organic radicals have garnered increasing attention owing to their versatile applications in sensing, imaging, and organic light-emitting diodes(OLEDs), attributed to their unique emission properties originating from the doublet spin ***, the natural narrow bandgap of organic free radicals typically limits their emission to the long-wavelength *** luminescent organic radicals with short-wavelength emission remains a significant challenge. Herein, a series of carbon-centered radicals with short-wavelength emission(383–476 nm) by combining N-heterocyclic carbenes with various polycyclic aromatic hydrocarbons(PAHs)(2-naphthyl, 2a~Ⅰ and 2b~Ⅰ;2-phenanthryl, 2a~Ⅱand 2b~Ⅱ;2-anthryl, 2a~Ⅲand 2b~Ⅲ;3-phenanthryl, 2a~Ⅳand 2b~Ⅳ). Theoretical calculations reveal that the introduction of PAHs significantly increases the ΔE_(D2-D1) in 2a^(Ⅰ–Ⅲ)and 2b^(Ⅰ–Ⅲ)compared to that in phenyl-derived radical congeners. Consequently, the internal transition from D2 to D1 is impeded, leading to a high yield of D2 emission and a suppressed Kasha's rule, thereby overcoming the limitations imposed by their narrow bandgap. For 2a~Ⅳ and 2b~Ⅳ, despite a moderately large ΔED2-D1value, the ΔED3-D1value exceeds 1 e V, indicating that their emission likely originates from the D3 state. Furthermore, we utilized 2a~Ⅲand 2b~Ⅲ as emissive materials in OLEDs,resulting in blue emissions with external quantum efficiencies of 7.5% and 6.5%, respectively.

关键词： N-heterocyclic carbenes luminescent organic molecules carbon-centered radicals short-wavelength emission

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Melt flow,heat transfer and solidification in a flexible thin slab continuous casting mold with vertical-combined electromagnetic braking

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Journal of Iron and Steel Research International 2024年第2期31卷 401-415页

作者： Lin Xu Ze-feng han Christian Karcher En-gang Wang Key Laboratory of Electromagnetic Processing of Materials(Ministry of Education) Northeastern UniversityShenyang110819LiaoningChina Key Laboratory of Liaoning Province for Clean Combustion Power Generation and Heating Technology Shenyang Institute of EngineeringShenyang110136LiaoningChina Institute of Thermodynamics and Fluid Mechanics Technische Universität IlmenauIlmenau98684Germany

During continuous casting of steel slabs,the application of electromagnetic braking technology(EMBr)provides an effective tool to influence solidification by controlling the pattern of melt flow in the ***,the quality of the final product can be improved considerably.A new electromagnetic braking(EMBr)method,named vertical-combined electromagnetic braking(VC-EMBr),is proposed to be applied to a flexible thin slab casting(FTSC)*** evaluate the beneficial effects of the VC-EMBr,the melt flow,heat transfer,and solidification processes in the FTSC mold are studied by means of numerical *** detail,a Reynolds-averaged Navier–Stokes turbulence model together with an enthalpy-porosity approach was *** numerical findings are compared with respective simulations using the traditional *** results demonstrate that the application of the VC-EMBr contributes significantly to preventing relative slab *** contrast to the Ruler-EMBr,the additional vertical magnetic poles of the VC-EMBr preferentially suppress the direct impact of jet flow on the narrow face of FSTC mold and considerably diminish the level fluctuation near the meniscus *** instance,by applying a magnetic flux density of 0.3 T,the maximum amplitude of meniscus deflection reduces by about 80%.Moreover,the braking effect of the VC-EMBr effectively improves the homogeneity of temperature distribution in the upper recirculation region and increases the solidified shell thickness along the casting *** this basis,the newly proposed VC-EMBr shows a beneficial effect in preventing relative slab defects for FTSC thin slab continuous casting.

关键词： Electromagnetic braking Mold Melt flow Heat transfer Solidification

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Dynamic simulation analysis of molten salt reactor-coupled air-steam combined cycle power generation system

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Nuclear Science and Techniques 2024年第2期35卷 222-233页

作者： Jing-Lei Huang Guo-Bin Jia Li-feng han Wen-Qian Liu Li Huang Zheng-han Yang Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China

A nonlinear dynamic simulation model based on coordinated control of speed and flow rate for the molten salt reactor and combined cycle systems is proposed here to ensure the coordination and stability between the molten salt reactor and power *** model considers the impact of thermal properties of fluid variation on accuracy and has been validated with *** study reveals the capability of the control system to compensate for anomalous situations and maintain shaft stability in the event of perturbations occurring in high-temperature molten salt tank outlet ***,the control system’s impact on the system’s dynamic characteristics under molten salt disturbance is also *** results reveal that after the disturbance occurs,the controlled system benefits from the action of the control,and the overshoot and disturbance amplitude are positively correlated,while the system power and frequency eventually return to the initial *** simulation model provides a basis for utilizing molten salt reactors for power generation and maintaining grid stability.

关键词： Molten salt reactor Combined cycle Dynamic characteristic Control

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The Neurovascular Unit Dysfunction in the Molecular Mechanisms of Epileptogenesis and Targeted Therapy

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Neuroscience Bulletin 2024年第5期40卷 621-634页

作者： Xiuxiu Liu Ying Zhang Yanming Zhao Qian Zhang feng han Medical Basic Research Innovation Center for Cardiovascular and Cerebrovascular Diseases Ministry of EducationNanjing211166China International Joint Laboratory for Drug Target of Critical Illnesses School of PharmacyNanjing Medical UniversityNanjing211166China Institute of Brain Science The Affiliated Brain Hospital of Nanjing Medical UniversityNanjing211166China Gusu School Nanjing Medical UniversitySuzhou Municipal HospitalThe Affiliated Suzhou Hospital of Nanjing Medical UniversitySuzhou210019China

Epilepsy is a multifaceted neurological syndrome characterized by recurrent,spontaneous,and synchronous *** pathogenesis of epilepsy,known as epileptogenesis,involves intricate changes in neurons,neuroglia,and endothelium,leading to structural and functional disorders within neurovascular units and culminating in the development of spontaneous *** current research on epilepsy treatments primarily centers around anti-seizure drugs,it is imperative to seek effective interventions capable of disrupting *** this end,a comprehensive exploration of the changes and the molecular mechanisms underlying epileptogenesis holds the promise of identifying vital biomarkers for accurate diagnosis and potential therapeutic *** early diagnosis and timely intervention is paramount,as it stands to significantly improve patient prognosis and alleviate the socioeconomic *** this review,we highlight the changes and molecular mechanisms of the neurovascular unit in epileptogenesis and provide a theoretical basis for identifying biomarkers and drug targets.

关键词： Epileptogenesis Neurovascular unit Molecular mechanisms Drug targets

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The hydrophobic cluster on the surface of protein is the key structural basis for the SDS-resistance of chondroitinase VhChlABC

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Marine Life Science & Technology 2024年第1期6卷 93-101页

作者： Juanjuan Su Hao Wu Chengying Yin fengchao Zhang feng han Wengong Yu School of Medicine and Pharmacy Ocean University of ChinaQingdao 266003China Laboratory for Marine Drugs and Bioproducts Qingdao Marine Science and Technology CenterQingdao 266237China Key Laboratory of Marine Drugs Ministry of EducationQingdao 266003China Shandong Provincial Key Laboratory of Glycoscience and Glycoengineering Qingdao 266003China

The application of chondroitinase requires consideration of the complex microenvironment of the *** previous research reported a marine-derived sodium dodecyl sulfate(SDS)-resistant chondroitinase *** study further investigated the mechanism of VhChlABC resistance to *** on the hydrophobic cluster on its strong hydrophilic surface,it was found that the reduction of hydrophobicity of surface residues Ala181,Met182,Met183,Ala184,Val185,and Ile305 significantly reduced the SDS resistance and *** dynamics(MD)simulation and molecular docking analysis showed that I305G had more conformational flexibility around residue 305 than wild type(WT),which was more conducive to SDS insertion and *** affinity of A181G,M182A,M183A,V185A and I305G to SDS was significantly higher than that of *** conclusion,the surface hydrophobic microenvironment composed of six residues was the structural basis for SDS *** feature could prevent the binding of SDS and the destruction of hydrophobic packaging by increasing the rigid conformation of protein and reducing the binding force of *** study provides a new idea for the rational design of SDS-resistant proteins and may further promote chondroitinase research in the targeted therapy of lung diseases under the pressure of pulmonary surfactant.

关键词： Hydrophobic cluster Protein surface SDS-resistance Chondroitinase

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Enrichment of Chemical Element ^(7)Li in the Rotating Red Clump Star

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Chinese Physics Letters 2024年第8期41卷 121-125页

作者： Fang-Wen Wu han-feng Song Qing-Li Li Yun He Xin-Yue Qu Zhuo han College of Physics Guizhou UniversityGuiyang 550025China Geneva Observatory University of GenevaCH-1290 SauvernySwitzerland

About 2 percent of red clump stars are found to be the lithium-rich and thus the surface lithium increases obviously in some red clump *** physical mechanism of the lithium enrichment in these stars has not yet been explained satisfactorily by the evolutionary models of single *** flash induced internal gravity wave mixing(i.e.,IGW)could play a primary role in explaining the red clump star with lithium enrichment and it has a very significant impact on the internal structure and surface compositions of a *** can significantly increase the mixing efficiency of the internal gravity wave because the timescale for the enrichment event has been *** mixing can explain the observed behavior of lithium on red giant stars that are more luminosity than the RGB ***,it has a very small effect on the diffusion of elements because its diffusion coefficient is much smaller than the one of IGW induced mixing after the core helium flash.

关键词： flash stars lithium

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Supramolecular polymer network constructed by a functionalized polyimidazolium salt derived from metal-carbene template approach

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Science China Chemistry 2024年第4期67卷 1224-1228页

作者： Ming-Ming Gan Zi-En Zhang Yi-Fan Zhang Heng Zhang Li-Ying Sun Ying-feng han Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Xi’an Key Laboratory of Functional Supramolecular Structure and MaterialsCollege of Chemistry and Materials ScienceNorthwest UniversityXi’an 710127China

In this study,we present a supramolecular templating approach for constructing polyimidazolium salt containing crown ether and cyclobutane *** strategy involves the formation of metal-carbene templates,photochemical cycloaddition,and subsequent demetallation of metal *** by the host-guest chemistry between crown ether units and ammonium salts,we successfully fabricated a supramolecular polymer SPN1,which features imidazolium receptors and cyclobutane *** obtained SPN1 demonstrates outstanding reversible stimulus-response,antibacterial behavior and conductivity.

关键词： metal-carbene template crown ether polyimidazolium salt host-guest chemistry

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Phosphorylated protein chip combined with artificial intelligence tools for precise drug screening

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Journal of Biomedical Research 2024年第3期38卷 195-205页

作者： Katsuhisa Horimoto Yuki Suyama Tadamasa Sasaki Kazuhiko Fukui Lili feng Meiling Sun Yamin Tang Yixuan Zhang Dongyin Chen feng han SOCIUM Inc. Tokyo 1350064Japan International Medical Center Saitama Medical UniversitySaitama 350-1298Japan Artificial Intelligence Research Center National Institute of Advanced Industrial Science and TechnologyTokyo 1350064Japan Department of Informatics and Data Science Sanyo-Onoda City UniversityYamaguchi 7560884Japan International Joint Laboratory for Drug Target of Critical Illnesses School of PharmacyNanjing Medical UniversityNanjingJiangsu 211166China Department of Physiology School of Basic Medical SciencesNanjing Medical UniversityNanjingJiangsu 211166China Gusu School Nanjing Medical UniversitySuzhouJiangsu 215001China National Vaccine Innovation Platform Nanjing Medical UniversityNanjingJiangsu 211166China

We have developed a protein array system,named"Phospho-Totum",which reproduces the phosphorylation state of a sample on the *** protein array contains 1471 proteins from 273 known signaling *** to the activation degrees of tyrosine kinases in the sample,the corresponding groups of substrate proteins on the array are phosphorylated under the same *** addition to measuring the phosphorylation levels of the 1471 substrates,we have developed and performed the artificial intelligence-assisted tools to further characterize the phosphorylation state and estimate pathway activation,tyrosine kinase activation,and a list of kinase inhibitors that produce phosphorylation states similar to that of the *** Phospho-Totum system,which seamlessly links and interrogates the measurements and analyses,has the potential to not only elucidate pathophysiological mechanisms in diseases by reproducing the phosphorylation state of samples,but also be useful for drug discovery,particularly for screening targeted kinases for potential drug kinase inhibitors.

关键词： Phospho-Totum protein array signal transduction pathways artificial intelligence tools drug screening

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Cyclopeptide moroidin inhibits vasculogenic mimicry formed by glioblastoma cells via regulating β-catenin activation and EMT pathways

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Journal of Biomedical Research 2024年第4期38卷 322-333页

作者： Pengxiang Min Yingying Li Cuirong Wang Junting Fan Shangming Liu Xiang Chen Yamin Tang feng han Aixia Zhang Lili feng Key Laboratory of Cardiovascular&Cerebrovascular Medicine International Joint Laboratory for Drug Target of Critical IllnessesSchool of PharmacyNanjing Medical UniversityNanjingJiangsu 211166China Department of Pharmaceutical Analysis School of PharmacyNanjing Medical UniversityNanjingJiangsu 210029China Department of Analysis and Testing Center School of Basic Medical SciencesNanjing Medical UniversityNanjingJiangsu 211166China Institute of Brain Science the Affiliated Brain Hospital of Nanjing Medical UniversityNanjingJiangsu 211166China Department of Clinical Pharmacology School of PharmacyNanjing Medical UniversityNanjingJiangsu 211166China

Glioblastoma(GBM)is a highly vascularized malignant brain tumor with poor clinical *** mimicry(VM)formed by aggressive GBM cells is an alternative approach for tumor blood supply and contributes to the failure of anti-angiogenic *** date,there is still a lack of effective drugs that target VM formation in *** the present study,we evaluated the effects of the plant cyclopeptide moroidin on VM formed by GBM cells and investigated its underlying molecular *** significantly suppressed cell migration,tube formation,and the expression levels ofα-smooth muscle actin and matrix metalloproteinase-9 in human GBM cell lines at sublethal *** RNA sequencing data suggested the involvement of the epithelialmesenchymal transition(EMT)pathway in the mechanism of *** to moroidin led to a concentration-dependent decrease in the expression levels of the EMT markers N-cadherin and vimentin in GBM ***,moroidin significantly reduced the level of phosphorylated extracellular signal-regulated protein kinase(p-ERK)and inhibited the activation of β-***,we demonstrated that the plant cyclopeptide moroidin inhibited VM formation by GBM cells through inhibiting the ERK/β-catenin-mediated ***,our study indicates a potential application of moroidin as an anti-VM agent in the treatment of GBM.

关键词： moroidin vasculogenic mimicry glioblastoma EMT β-catenin

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New insights into the deposition of natural gas hydrate on pipeline surfaces:A molecular dynamics simulation study

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Petroleum Science 2024年第1期21卷 694-704页

作者： Jun Zhang Hai-Qiang Fu Mu-Zhi Guo Zhao Wang Li-Wen Li Qi Yin You-Guo Yan Wei Wei Wei-feng han Jie Zhong School of Materials Science and Engineering China University of Petroleum(East China)Qingdao 266580ShandongChina School of Petroleum Engineering China University of Petroleum(East China)Qingdao 266580ShandongChina Department of Alternative Energy PetroChina Research Institute of Petroleum Exploration&DevelopmentLangfang 065007HebeiChina

Natural gas hydrate(NGH)can cause pipeline blockages during the transportation of oil and gas under high pressures and low *** hydrate adhesion on pipelines is viewed as an efficient way to prevent NGH *** studies suggested the water film can greatly increase hydrate adhesion in gas-dominant ***,by performing the molecular dynamics simulations,we find in water-dominant system,the water film plays different roles in hydrate deposition on Fe and its corrosion ***,due to the strong affinity of water on Fe surface,the deposited hydrate cannot convert the adsorbed water into hydrate,thus,a water film *** water affinities decrease(Fe>Fe_(2)O_(3)>FeO>Fe_(3)O_(4)),adsorbed water would convert to amorphous hydrate on Fe_(2)O_(3)and form the ordered hydrate on FeO and Fe_(3)O_(4)after hydrate *** absorbed water film converts to amorphous or to hydrate,the adhesion strength of hydrate continuously increases(Fehanisms on Fe and its corrosion surfaces and suggest hydrate deposition can be adjusted by changing water affinities on pipeline surfaces.

关键词： Deposition Natural gas hydrate Pipelines Water affinity Adhesion strength

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