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Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

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Matter and Radiation at Extremes 2024年第1期9卷 44-57页

作者： Tao Chen Qianrui Liu Yu Liu liang sun Mohan Chen HEDPS CAPTCollege of Engineering and School of PhysicsPeking UniversityBeijing 100871People’s Republic of China

In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high ***,stochastic density functional theory(SDFT)can overcome this ***,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[*** and ***,***.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 ***,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long ***,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.

关键词： stochastic theory functional

Practical assessment of the energy density of potassium-ion batteries

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Science China Chemistry 2024年第1期67卷 4-12页

作者： liang sun Guanjie Li Shilin Zhang Sailin Liu Jodie Yuwono Jianfeng Mao Zaiping Guo School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaide 5000Australia

1 Introduction The evolution of modern human society closely depends on affordable,efficient,and safe energy storage ***,lithium-ion batteries(LIBs)are the dominant energy storage systems to power portable electronics... 详细信息

关键词： energy lithium smart

A Fluorine-Functionalized 3D Covalent Organic Framework with Entangled 2D Layers

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Chinese Journal of Polymer Science 2024年第8期42卷 1210-1216页

作者： Li-Bang Xiao Zi-Han Wu Jun-Jie Xin Yuan-Peng Cheng Bo Gui Jun-liang sun Cheng Wang College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072China College of Chemistry and Molecular Engineering Beijing National Laboratory for Molecular SciencesPeking UniversityBeijing 100871China

Constructing three dimensional(3D)covalent organic frameworks(COFs)through the entanglement of two dimensional(2D)nets is a promising but underdeveloped ***,we report the design and synthesis of a fluorine functionalized 3DCOF(3D-An-COF-F)formed by entangled 2D sql *** structure of 3D-An-COF-F was determined by the combination of continuous rotation electron diffraction technique and modelling based on the chemical information from real ***,compared to the isostructural 3D-An-COF without F atom s,3DAn-COF-F showed an improved CO_(2)sorption ability and higher CO_(2)/N_(2)*** study not only demonstrated the generality of constructing 3D COFs with entangled 2D nets by introducing bulky groups vertically in planar building blocks,but also will expand the diversity of 3D COFs for various applications.

关键词： 3D covalent organic frameworks Fluorine Entangled 2D layers Electron diffraction CO_(2)adsorption

ZNF554 Inhibits Endometrial Cancer Progression via Regulating RBM5 and Inactivating WNT/β-Catenin Signaling Pathway

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Current Medical Science 2024年第2期44卷 406-418页

作者： Cheng-cheng ZHU Heng-liang sun Teng-fei LONG Yuan-yuan LYU Jiang-li LIU Guan-tai NI Anhui Medical University Hefei 230032China Department of Obstetrics and Gynecology The First Affiliated Hospital of Wannan Medical CollegeWuhu 241001China

Objective:Uterine corpus endometrial carcinoma(UCEC),a kind of gynecologic malignancy,poses a significant risk to women’s *** precise mechanism underlying the development of UCEC remains *** finger protein 554(ZNF554),a member of the Krüppel-associated box domain zinc finger protein superfamily,was reported to be dysregulated in various illnesses,including malignant *** study aimed to examine the involvement of ZNF554 in the development of ***:The expression of ZNF554 in UCEC tissues and cell lines were examined by qRT-PCR and Western blot *** with stably overexpressed or knocked-down ZNF554 were established through lentivirus ***-8,wound healing,and Transwell invasion assays were employed to assess cell proliferation,migration,and *** iodide(PI)staining combined with fluorescence-activated cell sorting(FACS)flow cytometer was utilized to detect cell cycle ***-PCR and Western blotting were conducted to examine relative mRNA and protein *** immunoprecipitation assay and luciferase reporter assay were used to explore the regulatory role of ZNF554 in RNA binding motif 5(RBM5).Results:The expression of ZNF554 was found to be reduced in both UCEC samples and cell *** expression of ZNF554 was associated with higher tumor stage,decreased overall survival,and reduced disease-free survival in ***554 overexpression suppressed cell proliferation,migration,and invasion,while also inducing cell cycle *** contrast,a decrease in ZNF554 expression resulted in the opposite ***,ZNF554 transcriptionally regulated RBM5,leading to the deactivation of the Wingless(WNT)/β-catenin signaling ***,the findings from rescue studies demonstrated that the inhibition of RBM5 negated the impact of ZNF554 overexpression onβ-catenin and p-glycogen synthase kinase-3β(p-GSK-3β).Similarly,the deliberate activation of RBM5 reduced the increase inβ-catenin and

关键词： zinc finger protein 554 endometrial carcinoma RNA binding motif 5 Wingless/β-catenin signaling pathway

The Impact of Cardiac Pacing Site on Patient's Cardiac Function and Psychological State

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Expert Review of Chinese Medical

Expert Review of Chinese Medical 2024年第2期2卷 18-22页

作者： Haiyang Xiao liang sun Cardiology Department of Hefei Eighth People's Hospital Medical College of Jinzhou Medical University

With the widespread application of artificial permanent pacemakers in clinical practice,there have been new changes in the indications for pacemaker *** current clinical indications include high atrioventricular block,sick sinus syndrome,cardiac resynchronization therapy for heart failure,and implantation of cardioverter defibrillators for ventricular *** implantation of a pacemaker can improve the quality of life and prognosis of patients with *** the past,permanent pacemaker implantation was performed in clinical practice,and the right ventricular pacing electrode was often fixed at the apex of the right ventricle,which belongs to non physiological *** long-term clinical follow-up,it was found that apex pacing can easily cause abnormal depolarization of the left ventricle,asynchronous contraction of the myocardium,and ultimately lead to myocardial fibrosis,which has adverse effects on the patient's cardiac function and psychological *** recent years,Scholars have found that pacing in the right ventricular outflow tract septum is closer to the atrioventricular node and closer to the His bundle Purkinje *** pacing impulse almost simultaneously expands towards both ventricles,closer to the physiological pacing state,thereby reducing the occurrence of cardiovascular events in *** article explores the impact of pacing in different parts of the heart on the cardiac function and psychological state of patients based on clinical data from the past three years.

关键词： pacing site cardiac function psychological state

Association of insomnia with diet quality and eating behavior

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中华医学杂志(英文版) 2024年第16期137卷 2002-2004页

作者： Jigeer Guliyeerke Huang Zhe Zou Jiaojiao Zhu Siwei Li Yaqi Chen Shuohua Yang Qishan sun liang Wu Shouling Gao Xiang Department of Nutrition and Food Hygiene School of Public Health Institute of Nutrition Fudan University Shanghai China Department of Cardiology Kailuan General Hospital Tangshan Hebei China Department of Epidemiology Harvard T.H. Chan School of Public Health Boston MA USA Key Laboratory of Public Health Safety of the Ministry of Education Fudan University Shanghai China

列宁与政治经济学批判方法论的“具体化”——基于《俄国资本主义的发展》的文本讨论

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求是学刊 2024年第1期51卷 14-22页

作者：孙亮华东师范大学哲学系上海200241

在政治经济学批判中,“从抽象到具体”的方法一直是西方左翼解读《资本论》的流行语法。然而,他们通常忽视了“从抽象到具体”过程的“开端”问题。马克思在以英国为个案的《资本论》的“原始积累”章节中所处理的,正是这个理论任务。... 详细信息

在政治经济学批判中,“从抽象到具体”的方法一直是西方左翼解读《资本论》的流行语法。然而,他们通常忽视了“从抽象到具体”过程的“开端”问题。马克思在以英国为个案的《资本论》的“原始积累”章节中所处理的,正是这个理论任务。回顾马克思主义发展史,列宁在《俄国资本主义的发展》中的讨论,完成了马克思关于考察俄国资本主义以补证《资本论》证据的愿望,丰富了“从具体到抽象”的开端问题。列宁从俄国资本主义的发展具有客观必然性、农民的解体与小生产者的破产是其发展的必然环节,以及俄国不是因为没有国外市场而无法实现额外价值等方面,论证了资本主义原始积累过程的必然性与资本主义发展最终被社会主义替代的一致性,实现了政治经济学批判方法论的“具体化”。

关键词：列宁政治经济学批判资本主义具体化

“资本的洪水期前的条件”——对马克思的“资本的原始积累”问题再考察

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上海师范大学学报（哲学社会科学版） 2024年第2期53卷 32-39页

作者：孙亮华东师范大学哲学系上海200241

西方学术界始终逗留于“资本的现代史”视野去谈论解放、主体,一直无法寻找突破资本主义围城的出口,最终徘徊于资本逻辑派与劳动逻辑派两种话语之间。当然,这一困境也影响了汉语学术界的讨论。之所以如此,在于研究者遗忘了对“资本的形... 详细信息

西方学术界始终逗留于“资本的现代史”视野去谈论解放、主体,一直无法寻找突破资本主义围城的出口,最终徘徊于资本逻辑派与劳动逻辑派两种话语之间。当然,这一困境也影响了汉语学术界的讨论。之所以如此,在于研究者遗忘了对“资本的形成史”的研究。通过厘清“资本的原始积累”的三重内涵:资本主义生产方式本质、资本主义科学认识论起点、新社会制度创造历史前提,可以看到,马克思的“资本的原始积累”所分析的“资本的形成史”,着重强调了资本主义本质中的“分离”与“颠倒”,以及为如何瓦解资本主义提供出路的方向,这些内涵无疑为摆脱当下资本主义批判仅仅局限于“资本的现代史”的拜物教视野、实现从批判理论提升到解放理论的研究路向提供必要的思想支撑。

关键词：资本主义生产方式资本的原始积累资本的形成史资本的现代史

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全人类共同价值的政治哲学意蕴

山东社会科学 2024年第5期 23-29,170页

作者：孙亮华东师范大学哲学系

关于“建设一个什么样的世界,如何建设这个世界”的问题,“冲突政治哲学”与“和合政治哲学”提供了两种截然不同的政治方案。西方学者从人性本质视角为“冲突政治哲学”的辩护是无效的,因为冲突无关乎人性,它作为人类共在的一种“形式... 详细信息

关于“建设一个什么样的世界,如何建设这个世界”的问题,“冲突政治哲学”与“和合政治哲学”提供了两种截然不同的政治方案。西方学者从人性本质视角为“冲突政治哲学”的辩护是无效的,因为冲突无关乎人性,它作为人类共在的一种“形式”,仅仅是所处现实境遇的“征兆”,人类完全可以在“合作共赢”的发展实践上消解冲突。当下的现实境遇是,西方霸权国家进行的掠夺式积累,正是以资本增殖为原则的新帝国主义的必然选择,其所造成的恶性竞争是导致“冲突”不断发生的根源。与此不同,超越以资本为主导原则的中国式现代化,为全人类共同价值提供了坚实基础。“和平、发展、公平、正义、民主、自由”这一全人类共同价值蕴含的“和合政治哲学”,将为构建人类命运共同体提供建设性的价值。

关键词：全人类共同价值冲突政治哲学和合政治哲学