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高温下HMX热分解反应分子动力学模拟

原子与分子物理学报 2025年第2期42卷 105-110页

作者：陈芳贾方硕陈瑶李天浩郭国琦董羚中北大学化学与化工学院太原030051

本文采用ReaxFF-lg反应分子动力学方法研究了奥克托金(HMX)在六种不同温度下的初始反应热分解过程,验证了ReaxFF-lg势函数对HMX体系的适用性,计算了不同温度下HMX体系势能、总物种演化趋势、初始反应产物以及指前因子和活化能.结果表明,... 详细信息

本文采用ReaxFF-lg反应分子动力学方法研究了奥克托金(HMX)在六种不同温度下的初始反应热分解过程,验证了ReaxFF-lg势函数对HMX体系的适用性,计算了不同温度下HMX体系势能、总物种演化趋势、初始反应产物以及指前因子和活化能.结果表明,HMX热分解过程主要有三种初始分解机理:N-NO_(2)键的断裂,HONO的解离和主环上C-N键的断裂,计算得到的初始分解阶段活化能Ea和指前因子ln(A),与实验值相吻合.

关键词： HMX 反应分子动力学(RMD) ReaxFF-lg 热分解温度

Preparation and corrosion resistance of rare earth-silane composite conversion coatings on magnesium-lithium alloy surface

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Rare Metals 2023年第3期42卷 1011-1017页

作者： fang-fang Xu Yong Zhao Yue Xu School of Chemistry and Environment Beihang UniversityBeijing 100191China

The poor corrosion resistance of magnesiumlithium alloy surface works against its application in aerospace,automobile,electronics,*** this research,some kinds of non-toxic and non-polluting rare earth and silane(RE-Si)composite conversion coatings were built up on Mg-Li alloy surface,and formation process of coatings was *** parameters for coating preparation were determined,including immersion time and temperature,pH value of conversion solution and curing *** optimized technological parameters for preparation of RE-Si composite coating were finally *** influence of doping nanoparticles on RE-Si composite coating was also discussed,and the microstructure of coatings shows that the addition of nanoparticles can effectively improve the compactness and uniformity of composite *** corrosion resistance of specimens with RE-Si composite conversion coating is improved to a great extent compared with those of substrate or specimens with single rare earth(RE)conversion coating or with silane *** result also indicates that corrosion resistance of RE-Si composite coating doping with nanoparticles is further *** of the composite coatings was analyzed,and the effect of RE elements and silane on coating formation process was *** resistance mechanism of composite coatings on Mg-Li alloy surface was discussed.

关键词： Magnesium-lithium alloy Rare earth-silane composite coating Nanoparticles Corrosion resistance

Tuning Out-of-Plane Spin Polarization Using in-Plane Magnetic Fields in a Quasi-One-Dimensional Quantum Wire Embedded in （110） Plane

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Chinese Physics Letters 2014年第3期31卷 148-151页

作者： SUN Jin-fang CHENG fang The State Key Laboratory for Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing 100083 Department of Physics and Electronic Science Changsha University of Science and Technology Changsha 410004

We investigate theoretically the combination effect of an in-plane magnetic field and spin-orbit interactions （SOIs） on the spin and charge transport property of a quasi-one-dimensional quantum wire embedded in the （110） crystallographic plane. We find that the oscillations of the conductance induced by the SOIs become more significant and different for the spin-up and spin-down electrons in the presence of the in-plane magnetic field. The conductance exhibits a significant anisotropic behavior and electrons exhibit out-of-plane spin polarization which can be tuned by an in-plane magnetic field. These features offer us an efficient way to control SOI-induced spin transport using in-plane magnetic fields.

关键词： Semiconductor quantum wires

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数字技术驱动下中国民歌变革及应对策略研究

湖北科技学院学报 2025年第1期45卷 80-85页

作者：胡娟方元河南职业技术学院音乐学院河南郑州450046

数字科技的崛起对音乐创作和传播方式带来了革命性的变化,同时也对中国民歌的传承和发展提出了新的课题。本研究旨在深入探讨数字化发展对中国民歌的影响,包括作品表演形式与作品的传承与创新,并详细分析其所面临的挑战和机遇,提出相应... 详细信息

数字科技的崛起对音乐创作和传播方式带来了革命性的变化,同时也对中国民歌的传承和发展提出了新的课题。本研究旨在深入探讨数字化发展对中国民歌的影响,包括作品表演形式与作品的传承与创新,并详细分析其所面临的挑战和机遇,提出相应的对策和建议。通过理论支持和实践指导,期望为传承和创新中国民歌作出积极贡献。

关键词：数字技术中国民歌变革应对

Advances and applications in single-cell and spatial genomics

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Science China Life Sciences 2025年

作者： Jingjing Wang fang Ye Haoxi Chai Yujia Jiang Teng Wang Xia Ran Qimin Xia Ziye Xu Yuting Fu Guodong Zhang Hanyu Wu Guoji Guo Hongshan Guo Yijun Ruan Yongcheng Wang Dong Xing Xun Xu Zemin Zhang Beijing Advanced Innovation Center for Genomics (ICG) Peking University Guangdong Provincial Key Laboratory of Genome Read and Write BGI Research Bone Marrow Transplantation Center of the First Affiliated Hospital & Liangzhu Laboratory Zhejiang University School of Medicine Life Sciences Institute and The Second Affiliated Hospital Zhejiang University BGI Research Biomedical Pioneering Innovation Center (BIOPIC) and School of Life Sciences Peking University Academy for Advanced Interdisciplinary Studies Peking University Institute of Hematology Zhejiang University Department of Laboratory Medicine of The First Affiliated Hospital & Liangzhu Laboratory Zhejiang University School of Medicine Center for Stem Cell and Regenerative Medicine Zhejiang University School of Medicine Zhejiang Provincial Key Lab for Tissue Engineering and Regenerative Medicine Dr.Li Dak Sum & Yip Yio Chin Center for Stem Cell and Regenerative Medicine

The applications of single-cell and spatial technologies in recent times have revolutionized the present understanding of cellular states and the cellular heterogeneity inherent in complex biological systems. These advancements offer unprecedented resolution in the examination of the functional genomics of individual cells and their spatial context within tissues. In this review, we have comprehensively discussed the historical development and recent progress in the field of single-cell and spatial genomics. We have reviewed the breakthroughs in single-cell multi-omics technologies, spatial genomics methods, and the computational strategies employed toward the analyses of singlecell atlas data. Furthermore, we have highlighted the advances made in constructing cellular atlases and their clinical applications,particularly in the context of disease. Finally, we have discussed the emerging trends, challenges, and opportunities in this rapidly evolving field.

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杜诗叙事画论析--以成都杜甫草堂博物馆馆藏绘画为中心

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重庆文理学院学报（社会科学版） 2025年第1期44卷 127-140页

作者：陈宁房锐四川师范大学文学院四川成都610066 成都杜甫草堂博物馆四川成都610072

关于叙事画的概念,中国和西方存在着一定的差异,但在叙事手法、教化功能和图文关系等方面也存在一定的共识。文章在明确叙事画的概念、范畴和功能之后,通过对明清至近现代繁盛起来的杜诗叙事画的文本来源、画家群体及创作原因、选材与... 详细信息

关于叙事画的概念,中国和西方存在着一定的差异,但在叙事手法、教化功能和图文关系等方面也存在一定的共识。文章在明确叙事画的概念、范畴和功能之后,通过对明清至近现代繁盛起来的杜诗叙事画的文本来源、画家群体及创作原因、选材与形制的关系、艺术手法的演变四个方面进行详细分析,进一步明晰杜诗叙事画的图文关系。杜诗叙事画是对文本来源为杜诗内容的艺术展示,是画家对杜甫叙事诗的接收与传播;同时,观者通过叙事性的图画溯源于杜诗,可以加深对杜诗内容及其反映的唐代社会现实的深刻理解,体味杜甫的圣者仁心,并加深对其图文关系的认知。

关键词：杜甫叙事画叙事诗图文关系

Single-metal-atom site with high-spin state embedded in defective BN nanosheet promotes electrocatalytic nitrogen reduction

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Nano Research 2021年第11期14卷 4211-4219页

作者： Cong fang Wei An College of Chemistry and Chemical Engineering Shanghai University of Engineering ScienceShanghai201620China

Single-atom catalysts (SACs) especially supported on two-dimensional nitrogen-doped carbon substrate have been widely reported to be able to effectively promote electrocatalytic N_(2) reduction reaction (eNRR). The precise design of single-metal-atom active site (SMAS) calls for fundamental understanding of its working mechanism for enhanced eNRR performance. Herein, by means of density functional theory calculations, we theoretically investigate the eNRR performance of nine prototypical SMAS, namely, MN_(2)B_(2) (M: transition metals of IIIB, IVB and VB groups) which comprises of asymmetric ligands of N_(2)B_(2) embedded in defective BN nanosheet. Our results reveal the significant role of spin state of SMAS in tuning the potential-determining steps of eNRR, in which MN_(2)B_(2) site with higher spin magnetic moment (μ) is beneficial to reducing limiting potentials (U_(L)) of eNRR. Specially, CrN_(2)B_(2) (μ = 4μB), VN_(2)B_(2) (μ = 3μB) and MoN_(2)B_(2) (μ = 2μB) demonstrate high activity and selectivity to eNRR. The asymmetric ligands of N_(2)B_(2) are deemed to be superior over mono-symmetric ligands. More importantly, our results demonstrate that breaking (or deviating) of the scaling relations between key N-containing intermediates (*N_(2)H/*N_(2) and *NH2/*N_(2)) on MN_(2)B_(2) can be realized by enhancing spin state of SMAS which renders the active site a balanced N-affinity critical for efficient eNRR. This observation is validated by the calculated Sabatier volcano-shape relation between eNRR limiting potentials and N_(2) adsorption energy. Our study develops the guidance for catalyst design to boost eNRR performance by tuning the spin state of an active site.

关键词： electrocatalysis N_(2)reduction BN nanosheet spin state single-atom catalyst jdensity functional theory(DFT)

中药治疗腰椎椎体间融合术后发热的炎症信号通路

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中国组织工程研究 2025年第21期29卷 4568-4575页

作者：方雨婷彭宏庞玉洁南阳市中医院河南省南阳市473000

背景:术后发热是后路腰椎椎体间融合后常见临床症状之一,目前没有明确的病因病机,患者术后体温易反复,病程较久,西药治疗效果欠佳,影响患者术后恢复。目的:综述总结炎症信号通路和术后发热的关联及中药防治后路腰椎椎体间融合后发热的机... 详细信息

背景:术后发热是后路腰椎椎体间融合后常见临床症状之一,目前没有明确的病因病机,患者术后体温易反复,病程较久,西药治疗效果欠佳,影响患者术后恢复。目的:综述总结炎症信号通路和术后发热的关联及中药防治后路腰椎椎体间融合后发热的机制,为研究术后发热继续探索新的治疗药物。方法:检索CNKI中国期刊全文数据库、万方数据库和PubMed数据库2006年6月至2023年12月收录的文献,中文检索词为“中药,术后发热,炎症,白细胞介素1,白细胞介素6,白细胞介素8,干扰素γ,肿瘤坏死因子,前列腺素E2,p38丝裂原活化蛋白激酶,核因子κB,Toll样受体,Janus激酶/信号转导和转录激活因子,Notch信号通路”;英文检索词为“medicinal herb,postoperative fever,inflammation,interleukin-1,interleukin-6,interleukin-8,γ-interferon,tumor necrosis factor,Prostaglandin E2,p38 mitogen-activated protein kinase,nuclear factor-κB,toll-like receptor,janus kinases/signal transducer and activator of transcription,notch signaling pathway”。阅读文章剔除研究内容不相关、质量差的文献,纳入100篇文献进行归纳总结。结果与结论:(1)手术造成软组织创伤促使机体释放炎症因子,促炎因子作用于下丘脑前部的体温调节中心,促使发热;(2)术后切口内出血及渗液等的吸收,吞噬细胞吞噬坏死细胞的蛋白分解产物后,产生内生致热原(白细胞介素、肿瘤坏死因子、干扰素等)导致发热;(3)细胞因子通过炎症信号通路发挥致炎作用,促使发热;(4)中药或中药复方可以调控炎症信号通路发挥抗炎解热作用防治术后发热;目前中药作用机制尚无定论,应深入研究阐明中医药防治术后发热的相关信号通路,运用现代技术把细胞分子技术与中医药药理作用机制联系起来,以便指导临床医生用药,促进患者术后恢复;(5)中药联合西药治疗术后发热是未来的研究热点,应充分发挥中医药优势,明确不同证型应用中药单体或有效成分提取物和中药汤剂的靶点作用机制。

关键词：中药腰椎椎体间融合术后发热炎症白细胞介素干扰素γ 肿瘤坏死因子信号通路

BNIP3L介导的线粒体自噬在镉致大鼠大脑皮质神经元凋亡中的作用

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畜牧与兽医 2025年第1期57卷 50-56页

作者：闻双全王亮方兰袁燕苏州健雄职业技术学院江苏太仓215411 扬州大学兽医学院江苏扬州225009 江苏高校动物重要疫病与人兽共患病防控协同创新中心江苏扬州225009

为探究线粒体自噬受体Bcl-2/腺病毒E1B 19 kDa相互作用蛋白3样(BNIP3L)介导的线粒体自噬对镉致大鼠大脑皮质神经元凋亡的调控作用,利用RNA干扰技术建立大鼠大脑皮质神经元BNIP3L基因沉默模型,并经10μmol/L镉处理12 h,Western blot检测B... 详细信息

为探究线粒体自噬受体Bcl-2/腺病毒E1B 19 kDa相互作用蛋白3样(BNIP3L)介导的线粒体自噬对镉致大鼠大脑皮质神经元凋亡的调控作用,利用RNA干扰技术建立大鼠大脑皮质神经元BNIP3L基因沉默模型,并经10μmol/L镉处理12 h,Western blot检测BNIP3L、帕金森氏蛋白2(Parkin)和线粒体凋亡通路相关蛋白cleaved caspase-9、cleaved caspase-3的表达水平,免疫荧光染色检测BNIP3L与线粒体标志蛋白TOMM20共定位,透射电镜检测细胞内线粒体自噬体数目,FITC Annexin V染色检测细胞凋亡水平。结果:大鼠大脑皮质神经元经镉处理12 h后,BNIP3L蛋白表达水平极显著升高(P<0.01),BNIP3L与TOMM20共定位增加,沉默BNIP3L极显著抑制镉致Parkin线粒体转位(P<0.01),抑制镉致细胞内线粒体自噬体形成,极显著促进镉致caspase-9、caspase-3激活和神经元凋亡(P<0.01)。结果表明,BNIP3L介导的线粒体自噬可抑制镉致大鼠大脑皮质神经元凋亡。

关键词：镉大鼠大脑皮质神经元 BNIP3L 线粒体自噬凋亡