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火炸药学报 2024年第3期47卷 209-219,I0003页

作者： Mohammed Dourari Ahmed Fouzi Tarchoun Djalal Trache Amir Abdelaziz Roufaida Tiliouine Tessnim Barkat Weiqiang Pang Energetic Materials Laboratory(EMLab) Teaching and Research Unit of Energetic ProcessesEcole Militaire PolytechniqueBP 17Bordj El-Bahri16046AlgiersAlgeria Xi′an Modern chemistry research institute Xi′an 710065China

The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been *** catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and diethylene glycol dinitrate,has been *** characterization of the resulting energetic composites was carried out using scanning electron microscopy(SEM),X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),and differential scanning calorimetry(DSC).Isoconversional kinetic analysis was performed to determine the Arrhenius parameters associated with the thermolysis of the elaborated energetic *** is found that TAG-M complexes have strong catalytic effect on the thermo-kinetic decomposition of NC/DEGDN by decreasing the apparent activation energy and significantly increased the total heat *** models that govern the decomposition processes are also studied,and it is revealed that different reaction processes are accomplished by introduction metal complexes of ***,this study serves as a valuable reference for future research focused on the investigation of catalytic combustion features of solid propellants.

关键词： triaminoguanidine transition metal complexes nitrocellulose diethylene glycol dinitrate catalytic effect

Advances in Liquid Crystal Epoxy:Molecular Structures,Thermal Conductivity,and Promising Applications in Thermal Management

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Energy & Environmental Materials 2024年第4期7卷 315-343页

作者： Wenying Zhou Yun Wang Fanrong Kong Weiwei Peng Yandong Wang Mengxue Yuan Xiaopeng Han Xiangrong Liu Bo Li School of chemistry and Chemical Engineering Xi'an University of Science &Technology Materials research institute The Pennsylvania State University University Park

Traditional heat conductive epoxy composites often fall short in meeting the escalating heat dissipation demands of large-power,high-frequency,and high'voltage insulating packaging applications,due to the challenge of achieving high thermal conductivity (k),desirable dielectric performance,and robust thermomechanical properties simultaneously.

关键词： intrinsically thermal conductive epoxy liquid crystal unit ordered structure phonon transport thermal conductivity

2.32W anti-misaligned Er:LuAG single-longitudinal-mode laser in the double corner-cube-retroreflector resonator and MOPA system

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Chinese Optics Letters 2024年第2期22卷 114-119页

作者：范佳玮鞠有伦姜辰晨袁越闫东杨星帮段小明戴通宇姚宝权吴佳泽 National Key Laboratory of Tunable Laser Technology Harbin Institute of TechnologyHarbin 150001China Department of Physics and chemistry PLA Army Academy of Special OperationsGuangzhou 510507China Zhengzhou research institute of Harbin institute of Technology Zhengzhou 450000China

We demonstrate a high power,Er:Lu AG single-longitudinal-mode laser in an anti-misaligned *** on the Faraday effect,a 1.61 W single-longitudinal-mode(SLM)laser is obtained with the double corner-cube-retroreflector(CCR)structure,and the tunable wavelength is 1649.2-1650.3 ***,we investigate the anti-misalignment characteristics when the CCR moves and rotates along the optical ***,by utilizing the Er:Lu AG amplifier,the maximum 2.32 W single-longitudinal-mode laser at 1649.6 nm is *** beam quality factors M^(2) of the 2.32 W Er:Lu AG single-longitudinal-mode laser are 1.23 and 1.25 along the horizontal(x)and vertical(y)directions,respectively.

关键词： Er:Lu AG single-longitudinal-mode laser Faraday effect MOPA system double corner-cube-retroreflector resonator

Structure-regulated fluorine-containing additives to improve the performance of perovskite solar cells

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Nano research 2024年第7期17卷 6080-6086页

作者： Peiya Chen Xiaoman Bi Hao Yan Yingjie Zhao Yihao Liu Zhuo Huang Qian Xiao Yongpeng Yang Shasha Zhang Yiqiang Zhang Yanlin Song Henan institute of Advanced Technology College of ChemistrySchool of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China Key Laboratory of Green Printing CAS Research/Education Center for Excellence in Molecular SciencesInstitute of ChemistryChinese Academy of Sciences(ICCAS)Beijing Engineering Research Center of Nanomaterials for Green Printing TechnologyNational Laboratory for Molecular Sciences(BNLMS)Beijing 100190China

Perovskite solar cells(PSCs)have seen remarkable progress in recent years,largely attributed to various additives that enhance both efficiency and *** these,fluorine-containing additives have garnered significant interest because of their unique hydrophobic properties,effective defect passivation,and regulation capability on the crystallization ***,a targeted structural approach to design such additives is necessary to further enhance the performance of ***,fluoroalkyl ethylene with different fluoroalkyl chain lengths(CH_(2)CH(CF_(2))nCF_(3),n=3,5,and 7)as liquid additives is used to investigate influences of fluoroalkyl chain lengths on crystallization regulation and defect *** findings indicate that optimizing the quantity of F groups plays a crucial role in regulating the electron cloud distribution within the additive *** optimization fosters strong hydrogen bonds and coordination effects with FA+and uncoordinated Pb^(2+),ultimately enhancing crystal quality and device ***,1H,1H,2H-perfluoro-1-hexene(PF_(3))with the optimal number of F presents the most effective modulation effect.A PSC utilizing PF_(3)achieves an efficiency of 24.05%,and exhibits exceptional stability against humidity and thermal *** work sheds light on the importance of tailored structure designs in additives for achieving high-performance PSCs.

关键词： perovskite solar cells fluorine number additive structure crystallization regulation defect passivation

High-Performance Recyclable Furan-based Epoxy Resin and Its Carbon Fiber Composites with Dense Hydrogen Bonding

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Chinese Journal of Polymer Science 2024年第1期42卷 73-86,I0008页

作者： Chang-Bo Zhao Lu-Kun Feng Hui Xie Ming-Liang Wang Bing Guo Zhi-Yong Xue Cai-Zhen Zhu Jian Xu Advanced Materials research institute North China Electric Power UniversityBejing 102206China institute of Low-Dimensional Materials Genome Initiative College of Chemistry and Environmental EngineeringShenzhen UniversityShenzhen 518060China Chengdu institute of Organic chemistry Chinese Academy of SciencesChengdu 610041China School of Science and Shenzhen Key Laboratory of Flexible Printed Electronics Technology and Shenzhen Key Laboratory of Advanced Functional Carbon Materials Research and Comprehensive ApplicationHarbin Institute of TechnologyShenzhen 518055China

The emerging biomass-based epoxy vitrimers hold great potential to fulfill the requirements for sustainable development of *** the existence of dynamic chemical bonds in vitrimers often reduces both the thermal and mechanical properties of epoxy resins, it is challenging to produce recyclable epoxy vitrimers with both excellent mechanical properties and good thermal stability. Herein, a monomer 4-(((5-(hydroxymethyl)furan-2-yl)methylene)amino)phenol(FCN) containing furan ring with potential to form high density of hydrogen bonding among repeating units is designed and copolymerized with glycerol triglycidyl ether to yield epoxy resin(FCN-GTE), which intrinsically has dual hydrogen bond networks, dynamic imine structure and resultant high performance. Importantly, as compared to the BPA-GTE, the FCN-GTE exhibits significantly improved mechanical properties owing to the increased density of hydrogen bond network and physical crosslinking interaction. Furthermore, density functional theory(DFT) calculation and in situ FTIR analysis is conducted to decipher the formation mechanism of hydrogen bond network. In addition, the FCN-GTE possesses superior UV shielding, chemical degradation, and recyclability because of the existence of abundant imine bonds. Notably, the FCN-GTE-based carbon fiber composites could be completely recycled in an amine *** study provides a facile strategy for synthesizing recyclable biomass-based high-performance epoxy vitrimers and carbon fiber composites.

关键词： Furan Hydrogen bond network Dynamic Schiff base Carbon fiber composites Recycling

Identification of Proteins and Genes Associated with Hedgehog Signaling Pathway Involved in Neoplasm Formation Using Text-Mining Approach

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Big Data Mining and Analytics 2024年第1期7卷 107-130页

作者： Nadezhda Yu.Biziukova Sergey M.Ivanov Oga A.Tarasova Department of Bioinformatics Institute of Biomedical ChemistryMoscow 119121Russia Department of Bioinformatics Pirogov Russian National Research Medical UniversityMoscow 117997Russia

Analysis of molecular mechanisms that lead to the development of various types of tumors is essential for biology and medicine,because it may help to find new therapeutic opportunities for cancer treatment and cure including personalized treatment *** of the pathways known to be important for the development of neoplastic diseases and pathological processes is the Hedgehog signaling pathway that normally controls human embryonic *** accumulation of various types of biological data,including interactions between proteins,regulation of genes transcription,proteomics,and metabolomics experiments results,allows the application of computational analysis of these big data for identification of key molecular mechanisms of certain diseases and pathologies and promising therapeutic *** aim of this study is to develop a computational approach for revealing associations between human proteins and genes interacting with the Hedgehog pathway components,as well as for identifying their roles in the development of various types of *** automatically collect sets of abstract texts from the NCBI PubMed bibliographic *** recognition of the Hedgehog pathway proteins and genes and neoplastic diseases we use a dictionary-based named entity recognition approach,while for all other proteins and genes machine learning method is *** association extraction,we develop a set of semantic *** complete the results of the text analysis with the gene set enrichment *** identified key pathways that may influence the Hedgehog pathway and their roles in tumor development are then verified using the information in the literature.

关键词： text-mining data mining Hedgehog pathway neoplastic processes enrichment analysis pathology molecularmechanisms

Probing the interaction between asphaltene-wax and its effects on the crystallization behavior of waxes in heavy oil via molecular dynamics simulation

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Petroleum Science 2024年第4期21卷 2839-2848页

作者： Yong Hu Xi Lu Hai-Bo Wang Ji-Chao Fang Yi-Ning Wu Jian Fang Sun SINOPEC Petroleum Exploration and Production research institute Shandong Key Laboratory of Oilfield chemistry School of Petroleum Engineering China University of Petroleum (East China)

High content of asphaltenes and waxes leads to the high pour point and the poor flowability of heavy oil,which is adverse to its efficient development and its transportation in *** the interaction mechanism between asphaltene-wax is crucial to solve these problems,but it is still *** this paper,molecular dynamics simulation was used to investigate the interaction between asphaltenewax and its effects on the crystallization behavior of waxes in heavy *** show that molecules in pure wax are arranged in a paralleled *** wax molecules in heavy oil,which are close to the surface of asphaltene aggregates,are bent and arranged *** the mass fraction of asphaltenes in asphaltene-wax system(ωasp) is 0-25 wt%,the attraction among wax molecules decreases and the bend degree of wax molecules increases with the increase of ω*** ωaspincreases from 0 to 25 wt%,and the attraction between asphaltene-wax is stronger than that among *** causes that the wax precipitation point changes from 353 to 333 *** the ωaspincreases to 50 wt%,wax molecules are more dispersed owing to the steric hindrance of asphaltene aggregates,and the interaction among wax molecules transforms from attraction to *** causes that the ordered crystal structure of waxes can't be formed at normal ***,the asphaltene,with the higher molecular weight or the more hetero atoms,has more obvious inhibition to the formation of wax ***,resins also have an obvious inhibition on the wax crystal due to the formation of asphalteneresin aggregates with a larger *** results reveal the interaction mechanism between asphaltene-wax,and provide useful guidelines for the development of heavy oil.

关键词： Heavy oil Interaction mechanism Asphaltenes Waxes Molecular dynamics

Ink-structing the future of vascular tissue engineering:a review of the physiological bioink design

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Bio-Design and Manufacturing 2024年第2期7卷 181-205页

作者： Judith Synofzik Sebastian Heene Rebecca Jonczyk Cornelia Blume institute for Technical chemistry Leibniz University Hannover30167 HannoverGermany

Three-dimensional(3D)printing and bioprinting have come into view for a plannable and standardizable generation of implantable tissue-engineered constructs that can substitute native tissues and *** tissue-engineered structures are intended to integrate with the patient’s *** tissue engineering(TE)is relevant in TE because it supports the sustained oxygenization and nutrition of all tissue-engineered *** have a specific role,representingthenecessarymedium for printability and vascular cell *** review aims to understand the requirements for the design of vascular ***,an in-depth analysis of vascular cell interaction with their native environment must be gained.A physiological bioink suitable for a tissue-engineered vascular graft(TEVG)must not only ensure good printability but also induce cells to behave like in a native vascular vessel,including self-regenerative and growth *** review describes the general structure of vascular walls with wall-speciﬁc cell and extracellular matrix(ECM)components and biomechanical properties and ***,the physiological role of vascular ECM components for their interaction with vascular cells and the mode of interaction is *** currently available or imaginable bioinks are described from physiological matrix proteins to nonphysiologically occurring but natural chemical compounds useful for vascular *** physiological performance of these bioinks is evaluated with regard to biomechanical properties postprinting,with a view to current animal studies of 3D printed vascular ***,the main challenges for further bioink development,suitable bioink components to create a self-assembly bioink concept,and future bioprinting strategies are *** concepts are discussed in terms of their suitability to be part of a TEVG with a high potential for later clinical use.

关键词： Vascular wall histology Vascular cells Microenvironment Extracellular matrix Cell–matrix interaction Bioink Printability

Revealing the Regulation Effect of Surface Charge at Aromatic Interface to Dynamic Conformational Changes of α-Synuclein at Early Aggregation Stage

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Chinese Journal of chemistry 2024年第16期42卷 1867-1876页

作者： Yuqi Zhang Lie Wu Xiue Jiang State Key Laboratoryof Electroanalytical chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun Jilin 130022China Schoolof Applied chemistry and Engineering University of Science and Technology of ChinaHefei Anhui 230026China research Center for Analytical Science College of ChemistryNankai UniversityTianjin 300071China

The aggregation ofα-synuclein(α-syn)is strongly influenced by membrane interfaces,but the mechanism of transition from monomers to oligomers at early aggregation stage is not ***,we investigate the adsorption and structure changes ofα-syn on oppositely charged aromatic interfaces through in-situ surface-enhanced infrared absorption(SEIRA)spectroscopy and nano-IR *** results show that the synergy of electrostatic and hydrophobic interactions leads to a“fast-slow”two-step aggregation pathway on negatively charged *** adsorption induces the formation of an extended helix structure and subsequently partial helix unwinding in NAC region,which enables the hydrophobic stacking between nearby NAC *** antiparallel β-sheet rich aggregates are gradually emerging as further interactions of monomers with the fast formed“first layer”.Monomers electrostatically adsorb on positively charged interface by C-terminus with NAC region and N-terminus stretched in solvent,which serve as an aggregation core and induce further adsorption and gradual formation of aggregates with C-terminus *** results demonstrate the modulation of surface charge and synergy of electrostatic and hydrophobic interactions on the interaction modes and aggregation pathways,which provide insights into dynamic conformation changes ofα-syn at early aggregation stage and imply the important role of spatial-temporal heterogeneity of membranes inα-synucleinopathies.

关键词： α-Synuclein Interface Early aggregation IR spectroscopy Surface analysis Analytical methods Proteins Dynamic monitoring

In-situ embedded ultrafine Bi_(12)O_(17)Br_(2)nanotubes in MOF-derived hierarchical porous carbon for enhanced photocatalytic CO_(2)conversion to CO

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Journal of Materials Science & Technology 2024年第4期171卷 47-53页

作者： Xing Sun Mengxia Ji Yi Zhang Qingzeng Xing Zihan Liu Nianhua Liu Emmanuel Nkudede Huaming Li Sheng Yin Jiexiang Xia School of chemistry and Chemical Engineering Institute for Energy ResearchJiangsu UniversityZhenjiang 212013China Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources Qinghai Provincial Key Laboratory of Resources Chemistry of Salt LakesQinghai Institute of Salt LakesChinese Academy of SciencesXining 81008China

Increasing the utilization efficiency of photogenerated electrons is highly recognized as one of the ef-ficient approaches to boost the photocatalytic CO_(2)conversion ***,ZIF-67-derived porous carbon(PC)material was employed for the construction of PC@ultrafine Bi_(12)O_(17)Br_(2)nanotubes(PC@BOB NTs)composites through a facile solvothermal synthesis in order to optimize the use of excited elec-trons in the BOB *** characterization results revealed that the introduction of PC material achieved a faster charge separation rate in the PC@BOB composites,ensuring more photogener-ated electrons participate in the CO_(2)adsorption and activation ***,the pore structures of ZIF-67-derived PC material provided abundant confined spaces for the enrichment of CO_(2)***-ter 5 h of Xenon lamp irradiation,PC@BOB composites exhibited obviously increased photocatalytic CO_(2)reduction activity in the pure *** the addition amount of PC was 5 wt%,the PC@BOB-2 com-posite showed the highest CO evolution rate of 359.70μmol/g,which was 2.95 times higher than that of the pure BOB *** work provides some independent insights into the applications of Metal-Organic Framework(MOF)-derived hierarchical porous structures to strengthen the CO_(2)enrichment,as well as the excited charge utilization efficiency,thus achieving a high solar-to-fuel conversion efficiency.

关键词： Bi_(12)O_(17)Br_(2)nanotubes Hierarchical porous structure CO_(2)enrichment Charge separation CO_(2)photoreduction