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Nano Research 2024年第5期17卷 4221-4230页

作者： Tao Yuan Xiaopan Fu Yuan Wang Mingjie Li Shuixin Xia Yuepeng pang Shiyou Zheng School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai 200093China

With many merits such as facile synthesis,economy,and relatively high theoretical capacity,Prussian blue analogs(PBAs)are considered promising cathode materials for sodium-ion batteries(SIBs).However,their practical applications still suffer from a low actual specific capacity and inferior stability owing to the imperfect crystallinity,irreversible phase transition,and low intrinsic ***,a surface-modification technique for vapor-phase molecular self-assembly was developed to prepare Fe-based PBAs,specifically sodium iron hexacyanoferrate(NaFeHCF),with a uniform conductive polymer protective layer of polypyrrole(PPy)on the surface,resulting in NaFeHCF@*** incorporation of a PPy protective layer not only improves the electronic conductivity of NaFeHCF@PPy,but also effectively mitigates the dissolution of Fe-ions during ***,this advanced vapor-phase technique avoids Fe^(2+)oxidation and Na^(+)loss during liquid-phase surface *** NaFeHCF@PPy exhibited a remarkably enhanced cycling performance,with capacity retentions of 85.6%and 69.1%over 500 and 1000 cycles,respectively,at 200 mA/g,along with a superior rate performance up to 5 A/g(fast kinetics).Additionally,by adopting this strategy for Mn-based PBAs(NaMnHCF@PPy),we further demonstrated the universality of this method for PBA cathodes in SIBs.

关键词： sodium-ion battery cathode Prussian blue analogs surface modification vapor-phase molecular self-assembly

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全油气系统理论基本原理

石油勘探与开发 2024年第4期51卷 679-691页

作者：贾承造庞雄奇宋岩中国石油天然气集团有限公司北京100007 油气资源与工程全国重点实验室中国石油大学(北京)北京102249 中国石油大学(北京)地球科学学院北京102249 中国石油勘探开发研究院北京100083 中国石油大学(北京)非常规油气科学技术研究院北京102249

通过阐释全油气系统基本原理,并阐明全油气系统的结构,进而揭示常规油气—致密油气—页岩油气序列成藏规律以及全油气系统成藏模式与成藏机理;此外,阐述了页岩油气-致密油气储层地质模型、流动模型与开发生产机理,并给出了进一步的研究... 详细信息

通过阐释全油气系统基本原理,并阐明全油气系统的结构,进而揭示常规油气—致密油气—页岩油气序列成藏规律以及全油气系统成藏模式与成藏机理;此外,阐述了页岩油气-致密油气储层地质模型、流动模型与开发生产机理,并给出了进一步的研究方向。研究表明:(1)全油气系统的主要结构包括3类流体动力场、3种油气藏与油气资源,以及两种成藏作用。常规油气—致密油气—页岩油气具有形成时间和空间分布的有序性、基于成因机理的序列合理性,表现出“序列成藏”的地质规律。(2)全油气系统成藏模式可以分为“碎屑岩盆地成藏模式”与“碳酸盐岩盆地(层系)成藏模式”两类。非常规油气的聚集成藏是一种“自封闭成藏”,油气自封闭作用的微观来源是分子间作用力(范德华力)。(3)非常规油气生产实践证实,页岩油气-致密油气储层地质模型、流动模型与开发生产机理是一个全新的领域,极为复杂,有待进一步研究。页岩油气一定是中国油气资源中最重要的资源接替。(4)进一步研究方向包括:碳酸盐岩盆地全油气系统特征及复合盆地演化源储耦合规律;页岩油气与致密油气运移、成藏与开发生产的流动机理;深层超深层页岩油气、致密油气和煤层气油气地质特征与富集规律;全油气系统油气资源评价与新一代盆地模拟技术;地球系统—地球有机岩与化石能源系统—全油气系统研究。

关键词：全油气系统理论全油气系统结构序列成藏规律全油气系统成藏模式自封闭成藏机理页岩油气-致密油气地质模型与流动模型

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Catalytic Effect of Transition Metal Complexes of Triaminoguanidine on the Thermolysis of Energetic NC/DEGDN Composite

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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

One-pot synthesis of a giant twisted double-layer chiral macrocycle via [4+8] imine condensation and its X-ray structure

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Chinese Chemical Letters 2024年第10期35卷 267-269页

作者： Yu pang Min Wang Ning-Hua yang Min Xue Yong yang School of Science Department of Physics Key Laboratory of Optical Field Manipulation of Zhejiang Province Zhejiang Sci-Tech University School of Chemistry and Chemical Engineering Key Laboratory of Surface & Interface Science of Polymer Materials of Zhejiang Province Zhejiang Sci-Tech University

Trifluoroacetic acid （TFA） catalyzed condensation reaction between tetraaminooxacalix[4]arene and N-alkylcarbazole-3,6-dicarbaldehyde in CH2Cl2afforded a single product in 87%–89%***-defined yet undissolvable1H NMR spectra suggested formation of robust and discrete structures in solution.X-ray single crystal analysis further revealed a giant twisted double-layer chiral macrocycle in the solid state,which was formed from[4+8]condensation of the two reactants via 16 imine *** calculations discovered that only the[4+8]twisted product is thermodynamically favorable,which accounts for its highly selective and efficient formation out of a library of many other combinations.

关键词： Chiral macrocycle Dynamic covalent chemistry One-pot synthesis Oxacalixarene X-ray single crystal

First-principles study of the relationship between the formation of single atom catalysts and lattice thermal conductivity

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Chinese Chemical Letters 2024年第6期35卷 502-506页

作者： Chaozheng He Pei Shi Donglin pang Zhanying Zhang Long Lin Yingchun Ding Department of Chemistry and Chemical Engineering Liaocheng UniversityLiaocheng 252059China Henan Key Laboratory of Materials on Deep-Earth Engineering School of Materials Science and EngineeringHenan Polytechnic UniversityJiaozuo 454000China School of Materials Science and Engineering Henan Polytechnic UniversityJiaozuo 454000China Department of Basic Medicine North Sichuan Medical CollegeNanchong 637000China

Single atom catalysts(SACs)have been in the forefront of catalysts research because of their high efficiency and low cost and provide new ideas for development of renewable energy conversion and storage ***,the relationship between the intrinsic properties of materials such as lattice thermal conductivity and catalysis remains to be *** this work,the lattice thermal conductivity of BN and graphene was calculated by Sheng *** addition,the adsorption properties of 3d-TM(TM=V,Cr,Mn,Fe,Co,Ni)on BN and graphene were investigated using first-principles methods,and it was found that Ni atom can form relatively stable SACs compared to other *** molecular dynamics(MD)simulation and migration barrier of Ni loaded on BN and graphene were *** study found that graphene has higher thermal conductivity and is easier to form SACs than BN,but the SACs formed on BN surface have higher thermodynamic stability.

关键词： First-principles calculation Thermal conductivity Single atom catalysts Graphene BN

Improving Federated Learning through Abnormal Client Detection and Incentive

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Computer Modeling in Engineering & Sciences 2024年第4期139卷 383-403页

作者： Hongle Guo Yingchi Mao Xiaoming He Benteng Zhang Tianfu pang Ping Ping College of Computer and Information Hohai UniversityNanjing211100China Key Laboratory ofWater Big Data Technology of Ministry ofWater Resources Hohai UniversityNanjing211100China

Data sharing and privacy protection are made possible by federated learning,which allows for continuous model parameter sharing between several clients and a central *** reliable and high-quality clients must participate in practical applications for the federated learning global model to be accurate,but because the clients are independent,the central server cannot fully control their *** central server has no way of knowing the correctness of the model parameters provided by each client in this round,so clients may purposefully or unwittingly submit anomalous data,leading to abnormal behavior,such as becoming malicious attackers or defective *** reduce their negative consequences,it is crucial to quickly detect these abnormalities and incentivize *** this paper,we propose a Federated Learning framework for Detecting and Incentivizing Abnormal Clients(FL-DIAC)to accomplish efficient and security federated *** build a detector that introduces an auto-encoder for anomaly detection and use it to perform anomaly identification and prevent the involvement of abnormal clients,in particular for the anomaly client detection *** them,before the model parameters are input to the detector,we propose a Fourier transform-based anomaly data detectionmethod for dimensionality reduction in order to reduce the computational ***,we create a credit scorebased incentive structure to encourage clients to participate in training in order tomake clients actively *** training models(CNN,MLP,and ResNet-18)and three datasets(MNIST,Fashion MNIST,and CIFAR-10)have been used in *** to theoretical analysis and experimental findings,the FL-DIAC is superior to other federated learning schemes of the same type in terms of effectiveness.

关键词： Federated learning abnormal clients incentive credit score abnormal score detection

Atomic interface regulation of rare-marth metal single atom catalysts for energy conversion

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Nano Research 2024年第5期17卷 3493-3515页

作者： Ziheng Zhan Zhiyi Sun Zihao Wei Yaqiong Li Wenxing Chen Shenghua Li Siping pang School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China

Efficient photocatalysis and electrocatalysis in energy conversion have been important strategies to alleviate energy crises and environmental *** recent years,with the rapid development of emerging catalysts,significant progress has been made in photocatalysis for converting solar energy into chemical energy and electrocatalysis for converting electrical energy into chemical ***,their selectivity and efficiency of the products are *** earth(RE)can achieve atomic level fine regulation of catalysts and play an crucial role in optimizing catalyst performance by their unique electronic and orbital ***,there is a lack of systematic review on the atomic interface regulation mechanism of RE and their role in energy conversion *** atom catalysts(SACs)provide clear active sites and 100%atomic utilization,which is conducive to exploring the regulatory mechanisms of ***,this review mainly takes atomic level doped RE as an example to review and discuss the atomic interface regulation role of RE elements in energy ***,a brief introduction was given to the synthesis strategies that can effectively exert the atomic interface regulation effect of RE,with a focus on the atomic interface regulation mechanism of ***,the regulatory mechanisms of RE atoms have been systematically summarized in various energy conversion ***,the challenges faced by RE in energy conversion,as well as future research directions and prospects,were pointed out.

关键词： rare earth elements interface regulation effect single-atom catalyst energy conversion

A metal-free coordination–insertion ring-opening polymerization of tetrahydrofuran by the central metalloid bis(pentafluorophenyl)(phenoxy)borane

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Chinese Chemical Letters 2024年第3期35卷 419-422页

作者： Cheng Wu Yixuan Liu Chunsheng Xiao Chenyang Hu Xuan pang Xuesi Chen Key Laboratory of Polymer Ecomaterials Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

A new strategy for the metal-free coordination–insertion ring-opening polymerization of tetrahydrofuran by the central metalloid Boron has been first ***(pentafluorophenyl)(phenoxy)borane was used as a catalyst for the polymerization reaction *** polytetrahydrofuran with high molecular weight and narrow molecular weight distribution could be *** proposed mechanism was studied by MALDI-TOF,ESI-MS and O-18 isotope labeling analyses as a metal-free coordination insertion mechanism.

关键词： Metal-free catalyst Bis(pentafluorophenyl)(phenoxy)borane Coordination–insertion mechanism Ring-opening polymerization Polytetrahydrofuran

Credit assignment for trained neural networks based on Koopman operator theory

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Frontiers of Computer Science 2024年第1期18卷 251-253页

作者： Zhen LIANG Changyuan ZHAO Wanwei LIU Bai XUE Wenjing yanG Zhengbin pang Institute for Quantum Information&State Key Laboratory of High Performance Computing National University of Defense TechnologyChangsha 410000China Institute of Software Chinese Academy of SciencesBeijing 100190China College of Computer Science and Technology National University of Defense TechnologyChangsha 410000China

1 Introduction Artificial neural networks(ANNs,also NNs)have recently emerged as leading candidate models for deep learning,popularly used in various areas[1–3].Behind the enormous success,ANNs are generally with complicated structures,there being an intricate data flow through multiple linear or nonlinear components between the input layer and the output ***,it is pressing to evaluate how much a specific component contributes to the final output,termed the Credit Assignment Problem(CAP)[4]in this paper.

关键词： layer assignment operator

Repetitive transcranial magnetic stimulation in Alzheimer’s disease:effects on neural and synaptic rehabilitation

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Neural Regeneration Research 2025年第2期20卷 326-342页

作者： Yi Ji Chaoyi yang Xuerui pang Yibing yan Yue Wu Zhi Geng Wenjie Hu Panpan Hu Xingqi Wu Kai Wang Department of Neurology The First Affiliated Hospital of Anhui Medical UniversityHefeiAnhui ProvinceChina Anhui Province Key Laboratory of Cognition and Neuropsychiatric Disorders HefeiAnhui ProvinceChina Collaborative Innovation Center of Neuropsychiatric Disorders and Mental Health HefeiAnhui ProvinceChina Institute of Artificial Intelligence Hefei Comprehensive National Science CenterHefeiAnhui ProvinceChina Department of Psychology and Sleep Medicine The Second Affiliated Hospital of Anhui Medical UniversityHefeiAnhui ProvinceChina

Alzheimer’s disease is a neurodegenerative disease resulting from deficits in synaptic transmission and *** Alzheimer’s disease brain tends to be hyperexcitable and hypersynchronized,thereby causing neurodegeneration and ultimately disrupting the operational abilities in daily life,leaving patients *** transcranial magnetic stimulation is a cost-effective,neuro-modulatory technique used for multiple neurological *** the past two decades,it has been widely used to predict cognitive decline;identify pathophysiological markers;promote neuroplasticity;and assess brain excitability,plasticity,and *** has also been applied to patients with dementia,because it can yield facilitatory effects on cognition and promote brain recovery after a neurological ***,its therapeutic effectiveness at the molecular and synaptic levels has not been elucidated because of a limited number of *** study aimed to characterize the neurobiological changes following repetitive transcranial magnetic stimulation treatment,evaluate its effects on synaptic plasticity,and identify the associated *** review essentially focuses on changes in the pathology,amyloidogenesis,and clearance pathways,given that amyloid deposition is a major hypothesis in the pathogenesis of Alzheimer’s *** mechanisms associated with repetitive transcranial magnetic stimulation procedures and different pathways mediating gene transcription,which are closely related to the neural regeneration process,are also ***,we discuss the outcomes of animal studies in which neuroplasticity is modulated and assessed at the structural and functional levels by using repetitive transcranial magnetic stimulation,with the aim to highlight future directions for better clinical translations.

关键词： Alzheimer’s disease amyloid deposition apoptotic mechanisms biomarker neural regeneration neurodegeneration repetitive transcranial magnetic stimulation synaptic plasticity